77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8049.535360540814
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
  N      -4.779683     -2.751554      5.103792
  N      -5.168352     -1.816212      5.839712
  H      -4.460284     -1.077480      5.914485
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8049.869648551092
  N      -3.586697     -3.563591      2.180217
  C      -2.657118     -4.056922      1.186733
  C      -2.225658     -5.438513      1.679755
  N      -3.313183     -5.984578      2.520226
  C      -4.444874     -6.428848      1.654937
  C      -5.741930     -6.470824      2.467941
  N      -5.718885     -5.289330      3.301755
  Mo     -4.110740     -4.361294      3.848575
  N      -3.335892     -5.680781      4.997063
  C      -2.294116     -6.617990      4.627322
  C      -2.797445     -7.149093      3.287002
  H      -2.201513     -7.428114      5.357225
  H      -1.319605     -6.118803      4.527997
  H      -3.616640     -7.849700      3.473406
  H      -2.012112     -7.663258      2.725676
  H      -6.602753     -6.471994      1.790158
  H      -5.803804     -7.369558      3.100783
  H      -4.570711     -5.720357      0.830489
  H      -4.216353     -7.411406      1.230904
  H      -1.782531     -3.406356      1.077336
  H      -3.155577     -4.098215      0.207745
  H      -1.327377     -5.351603      2.299555
  H      -2.016857     -6.109386      0.839668
  C      -4.023820     -2.246364      2.121306
  C      -3.160043     -1.149253      1.918341
  C      -3.625223      0.147823      2.013131
  C      -4.939827      0.386087      2.384487
  F      -5.351769      1.653382      2.541451
  C      -5.841649     -0.662560      2.561833
  C      -7.216057     -0.483099      3.095785
  O      -8.083891     -1.311304      2.927777
  C      -7.475691      0.746472      3.989428
  O      -8.422670      1.475395      3.793962
  C      -6.492948      0.992957      5.098816
  O      -5.485073      0.342092      5.337771
  Cl     -6.825173      2.461977      5.946932
  C      -5.388611     -1.974002      2.332480
  C      -6.842735     -4.795874      3.921702
  C      -8.145773     -5.308064      3.982434
  C      -9.093612     -4.645902      4.749211
  C      -8.775130     -3.503907      5.470078
  F      -9.711814     -2.939108      6.250894
  C      -7.485775     -2.954914      5.437619
  C      -7.060225     -1.716095      6.142621
  O      -7.751389     -0.688998      6.161700
  C      -5.677390     -1.719913      6.691259
  O      -4.805873     -2.661713      6.433400
  C      -5.285675     -0.571723      7.546778
  O      -5.950808      0.248834      8.100353
  Cl     -3.542144     -0.550812      7.737190
  C      -6.572505     -3.618022      4.629929
  C      -3.697292     -5.533813      6.327363
  C      -2.739353     -5.362820      7.347407
  C      -3.131494     -5.131096      8.650562
  C      -4.481667     -5.055898      8.958928
  F      -4.846935     -4.789437     10.223611
  C      -5.459783     -5.280171      7.987974
  C      -6.905368     -5.198220      8.251836
  O      -7.751834     -5.432296      7.416582
  C      -7.322877     -4.662191      9.626756
  O      -7.752890     -5.302859     10.542684
  C      -7.183293     -3.136573      9.621770
  O      -6.313981     -2.549465      9.033688
  Cl     -8.454406     -2.332060     10.460274
  C      -5.049305     -5.550184      6.676807
  H      -2.118208     -1.310118      1.679076
  H      -2.970865      0.989316      1.841445
  H      -6.140543     -2.756727      2.277805
  H      -8.424832     -6.207960      3.455623
  H     -10.103475     -5.021557      4.816030
  H      -5.554400     -3.176131      4.509755
  H      -1.684591     -5.411090      7.114708
  H      -2.405112     -4.986526      9.436194
  H      -5.821418     -5.821986      5.965142
  N      -4.753808     -2.771473      5.102583
  N      -5.143815     -1.811946      5.836543
  H      -4.426274     -1.070870      5.902869
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.095771629057
  N      -3.589291     -3.566500      2.159679
  C      -2.658199     -4.064496      1.168911
  C      -2.224777     -5.443577      1.668559
  N      -3.311299     -5.989893      2.512657
  C      -4.443722     -6.441082      1.649582
  C      -5.740523     -6.482470      2.462623
  N      -5.723042     -5.296679      3.292174
  Mo     -4.112507     -4.361414      3.835421
  N      -3.331562     -5.677614      4.991857
  C      -2.287600     -6.612810      4.622376
  C      -2.791614     -7.150408      3.284604
  H      -2.191697     -7.420608      5.355589
  H      -1.313760     -6.111649      4.519293
  H      -3.609094     -7.852592      3.474735
  H      -2.005119     -7.664991      2.723356
  H      -6.601606     -6.488804      1.783816
  H      -5.799847     -7.379848      3.099051
  H      -4.571224     -5.735861      0.822229
  H      -4.212485     -7.425712      1.229095
  H      -1.783359     -3.413333      1.056868
  H      -3.156377     -4.110978      0.189250
  H      -1.326543     -5.352210      2.288506
  H      -2.014432     -6.118454      0.830881
  C      -4.029871     -2.250304      2.099603
  C      -3.163725     -1.154324      1.896125
  C      -3.622785      0.144649      1.996571
  C      -4.933390      0.381831      2.377411
  F      -5.342058      1.650829      2.545812
  C      -5.837550     -0.666285      2.554631
  C      -7.202101     -0.476481      3.106154
  O      -8.089956     -1.288940      2.945450
  C      -7.415647      0.746148      4.020707
  O      -8.351200      1.501929      3.855291
  C      -6.397446      0.944848      5.114170
  O      -5.401873      0.258133      5.318946
  Cl     -6.667051      2.406480      6.002807
  C      -5.393790     -1.979464      2.315515
  C      -6.851045     -4.803546      3.909917
  C      -8.152923     -5.320254      3.972524
  C      -9.106759     -4.657266      4.736243
  C      -8.795730     -3.510742      5.452844
  F      -9.739747     -2.947887      6.229523
  C      -7.507975     -2.953605      5.423505
  C      -7.107606     -1.699589      6.135418
  O      -7.814244     -0.686471      6.141019
  C      -5.731124     -1.675770      6.730641
  O      -4.803031     -2.654884      6.471514
  C      -5.369006     -0.519194      7.593207
  O      -6.059023      0.290716      8.134787
  Cl     -3.622721     -0.473322      7.811548
  C      -6.588252     -3.621886      4.613511
  C      -3.692022     -5.526807      6.323517
  C      -2.730737     -5.347892      7.340920
  C      -3.117239     -5.113419      8.646726
  C      -4.466423     -5.044373      8.961858
  F      -4.824231     -4.776393     10.230022
  C      -5.449731     -5.276380      7.996396
  C      -6.896482     -5.202757      8.268945
  O      -7.746732     -5.445800      7.436140
  C      -7.322429     -4.669106      9.644514
  O      -7.748553     -5.320507     10.559947
  C      -7.202524     -3.140874      9.649342
  O      -6.336857     -2.539002      9.066618
  Cl     -8.487255     -2.355414     10.493043
  C      -5.043635     -5.548025      6.681238
  H      -2.121574     -1.318708      1.654346
  H      -2.965690      0.986182      1.825827
  H      -6.147323     -2.761343      2.265551
  H      -8.428821     -6.225127      3.448584
  H     -10.116453     -5.037815      4.802911
  H      -5.562441     -3.177051      4.489936
  H      -1.675531     -5.392567      7.103209
  H      -2.386407     -4.962990      9.429228
  H      -5.817930     -5.825934      5.973505
  N      -4.750064     -2.765088      5.084849
  N      -5.154352     -1.773968      5.816890
  H      -4.434745     -1.023478      5.874587
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.255461469016
  N      -3.575635     -3.581972      2.157926
  C      -2.647662     -4.086166      1.165746
  C      -2.223899     -5.470366      1.659652
  N      -3.313165     -6.014500      2.503928
  C      -4.451750     -6.455877      1.640986
  C      -5.747683     -6.491461      2.454988
  N      -5.724540     -5.307960      3.289567
  Mo     -4.101827     -4.383876      3.834353
  N      -3.324356     -5.713598      4.988005
  C      -2.287433     -6.653133      4.609766
  C      -2.798820     -7.181922      3.271160
  H      -2.194324     -7.465208      5.339868
  H      -1.309844     -6.158045      4.505188
  H      -3.620698     -7.879830      3.460367
  H      -2.016491     -7.699478      2.704733
  H      -6.609908     -6.490050      1.776084
  H      -5.811572     -7.392103      3.087905
  H      -4.575529     -5.746188      0.816495
  H      -4.226935     -7.441332      1.215978
  H      -1.767000     -3.441071      1.055319
  H      -3.146796     -4.126247      0.185461
  H      -1.324353     -5.387497      2.279651
  H      -2.018638     -6.144190      0.818571
  C      -4.007725     -2.258254      2.101840
  C      -3.130490     -1.168481      1.904000
  C      -3.572951      0.139315      1.999471
  C      -4.884268      0.398772      2.364849
  F      -5.275804      1.677419      2.517231
  C      -5.807157     -0.634109      2.540147
  C      -7.187582     -0.410661      3.060166
  O      -8.069511     -1.228257      2.875627
  C      -7.491652      0.840458      3.932087
  O      -8.444291      1.543033      3.650444
  C      -6.608108      1.177311      5.113696
  O      -5.601720      0.591305      5.497974
  Cl     -7.079498      2.673320      5.854642
  C      -5.373258     -1.961781      2.311546
  C      -6.851599     -4.809615      3.910829
  C      -8.157125     -5.319210      3.973167
  C      -9.108492     -4.651347      4.741923
  C      -8.790850     -3.508639      5.462843
  F      -9.734125     -2.943358      6.242186
  C      -7.498621     -2.957567      5.436386
  C      -7.099431     -1.699012      6.157529
  O      -7.804967     -0.689048      6.156285
  C      -5.724044     -1.667237      6.786449
  O      -4.758973     -2.688655      6.527622
  C      -5.367494     -0.510386      7.643872
  O      -6.066743      0.299785      8.175283
  Cl     -3.615958     -0.463111      7.878098
  C      -6.583630     -3.632806      4.617818
  C      -3.680930     -5.565120      6.322031
  C      -2.712903     -5.394300      7.336175
  C      -3.089539     -5.160738      8.646195
  C      -4.436720     -5.084564      8.968958
  F      -4.783380     -4.817176     10.242112
  C      -5.428377     -5.308332      8.008651
  C      -6.874186     -5.225662      8.292204
  O      -7.733485     -5.463819      7.463605
  C      -7.297748     -4.691177      9.670117
  O      -7.726086     -5.348980     10.584629
  C      -7.177015     -3.161130      9.686375
  O      -6.308869     -2.553929      9.107570
  Cl     -8.463135     -2.379488     10.540392
  C      -5.031624     -5.579738      6.688128
  H      -2.087892     -1.345328      1.666364
  H      -2.901438      0.971684      1.829536
  H      -6.137509     -2.733077      2.254821
  H      -8.439942     -6.222287      3.445517
  H     -10.121864     -5.026879      4.808090
  H      -5.543578     -3.195341      4.491593
  H      -1.658028     -5.444293      7.091421
  H      -2.351945     -5.016319      9.425732
  H      -5.811634     -5.850600      5.983024
  N      -4.710853     -2.790407      5.089045
  N      -5.114096     -1.774729      5.822871
  H      -4.385785     -1.026658      5.874291
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.376070798185
  N      -3.580878     -3.586711      2.139131
  C      -2.650192     -4.094569      1.150068
  C      -2.223246     -5.475635      1.648651
  N      -3.310609     -6.023429      2.495995
  C      -4.449845     -6.473003      1.634939
  C      -5.745176     -6.511169      2.449234
  N      -5.731487     -5.323971      3.280948
  Mo     -4.105376     -4.389618      3.823006
  N      -3.318520     -5.717384      4.985491
  C      -2.277976     -6.652206      4.604075
  C      -2.789845     -7.186819      3.267596
  H      -2.179441     -7.462960      5.336510
  H      -1.301656     -6.153543      4.495209
  H      -3.608872     -7.887965      3.459998
  H      -2.005652     -7.702796      2.699706
  H      -6.607807     -6.516059      1.768949
  H      -5.804414     -7.411953      3.084371
  H      -4.576193     -5.765555      0.808394
  H      -4.220428     -7.459919      1.212110
  H      -1.769605     -3.447739      1.037970
  H      -3.148540     -4.139878      0.168574
  H      -1.324096     -5.387804      2.269438
  H      -2.015040     -6.152566      0.809174
  C      -4.016217     -2.262953      2.079727
  C      -3.135059     -1.174420      1.881355
  C      -3.563829      0.137650      1.978423
  C      -4.869389      0.403153      2.350366
  F      -5.251684      1.686119      2.511032
  C      -5.799257     -0.623107      2.528185
  C      -7.165522     -0.366004      3.066158
  O      -8.075194     -1.159191      2.896287
  C      -7.421300      0.893762      3.945792
  O      -8.363878      1.615611      3.669835
  C      -6.517380      1.223842      5.120969
  O      -5.521068      0.626017      5.506844
  Cl     -6.959068      2.736002      5.859033
  C      -5.381316     -1.959139      2.292501
  C      -6.865887     -4.829860      3.900270
  C      -8.168805     -5.348690      3.963923
  C      -9.127392     -4.683456      4.731786
  C      -8.817863     -3.536531      5.449837
  F      -9.768648     -2.976381      6.228029
  C      -7.527932     -2.975884      5.424000
  C      -7.153814     -1.705597      6.152066
  O      -7.877640     -0.714707      6.139195
  C      -5.779120     -1.640015      6.822029
  O      -4.756091     -2.686095      6.571025
  C      -5.455618     -0.476765      7.679768
  O      -6.184218      0.315858      8.199164
  Cl     -3.699788     -0.390569      7.940736
  C      -6.610084     -3.651029      4.603211
  C      -3.674195     -5.566717      6.321532
  C      -2.701631     -5.386538      7.331784
  C      -3.070099     -5.150644      8.644968
  C      -4.415976     -5.081916      8.975659
  F      -4.753486     -4.812602     10.252850
  C      -5.413674     -5.314369      8.022540
  C      -6.859377     -5.239254      8.318492
  O      -7.724794     -5.487632      7.496002
  C      -7.291066     -4.705441      9.696641
  O      -7.713829     -5.375507     10.609003
  C      -7.193306     -3.172433      9.726373
  O      -6.330525     -2.546799      9.155742
  Cl     -8.494719     -2.414777     10.590351
  C      -5.023636     -5.587928      6.697555
  H      -2.092201     -1.358930      1.642357
  H      -2.884482      0.966116      1.808004
  H      -6.151443     -2.725629      2.242546
  H      -8.446518     -6.257423      3.438046
  H     -10.139959     -5.066657      4.798924
  H      -5.557243     -3.206825      4.473254
  H      -1.646383     -5.431288      7.079758
  H      -2.326768     -4.999208      9.420415
  H      -5.806515     -5.864935      5.996851
  N      -4.704676     -2.791289      5.075555
  N      -5.126917     -1.747995      5.807140
  H      -4.402119     -0.989023      5.851725
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.462057228805
  N      -3.573976     -3.586178      2.125723
  C      -2.642923     -4.102526      1.139948
  C      -2.222674     -5.485127      1.639090
  N      -3.312413     -6.032330      2.486991
  C      -4.455528     -6.478816      1.625640
  C      -5.751248     -6.512782      2.438826
  N      -5.739866     -5.324937      3.271866
  Mo     -4.102219     -4.394151      3.815341
  N      -3.315618     -5.730138      4.984684
  C      -2.278502     -6.666040      4.595877
  C      -2.794123     -7.197976      3.259745
  H      -2.180393     -7.478748      5.327829
  H      -1.299651     -6.170858      4.484193
  H      -3.615626     -7.896905      3.452400
  H      -2.011753     -7.716072      2.688632
  H      -6.613630     -6.515440      1.756221
  H      -5.812831     -7.415893      3.072477
  H      -4.578036     -5.769398      0.799657
  H      -4.228302     -7.467264      1.201544
  H      -1.757815     -3.459846      1.028641
  H      -3.139752     -4.147282      0.156599
  H      -1.323945     -5.401002      2.261876
  H      -2.015485     -6.163839      0.799136
  C      -4.005173     -2.258936      2.066375
  C      -3.114402     -1.176832      1.875103
  C      -3.534005      0.140471      1.976108
  C      -4.842806      0.411493      2.340963
  F      -5.220217      1.698677      2.501498
  C      -5.781783     -0.610841      2.507777
  C      -7.156707     -0.352163      3.026144
  O      -8.067842     -1.140635      2.834087
  C      -7.440222      0.903011      3.903981
  O      -8.378894      1.621100      3.600609
  C      -6.573735      1.227218      5.110950
  O      -5.596355      0.619783      5.524163
  Cl     -7.040819      2.734667      5.857116
  C      -5.368269     -1.945343      2.272912
  C      -6.879614     -4.828095      3.891062
  C      -8.184081     -5.345371      3.953780
  C      -9.142392     -4.675697      4.724702
  C      -8.829125     -3.529645      5.445071
  F      -9.781563     -2.969753      6.225515
  C      -7.536033     -2.971479      5.420650
  C      -7.169705     -1.695794      6.160846
  O      -7.897495     -0.714546      6.140912
  C      -5.792957     -1.611908      6.867822
  O      -4.723882     -2.685824      6.625784
  C      -5.488872     -0.448582      7.728938
  O      -6.240644      0.329147      8.239112
  Cl     -3.728115     -0.339022      8.019538
  C      -6.626781     -3.651440      4.594239
  C      -3.669002     -5.579442      6.323160
  C      -2.690294     -5.400051      7.329474
  C      -3.048184     -5.162517      8.646352
  C      -4.392418     -5.091373      8.984573
  F      -4.719319     -4.820337     10.266081
  C      -5.397514     -5.321979      8.038242
  C      -6.841474     -5.242051      8.347115
  O      -7.715772     -5.491926      7.532045
  C      -7.277552     -4.707357      9.725671
  O      -7.699896     -5.388536     10.632558
  C      -7.191679     -3.172620      9.774211
  O      -6.330207     -2.533794      9.215692
  Cl     -8.502929     -2.432714     10.651804
  C      -5.016694     -5.597814      6.708896
  H      -2.070079     -1.370073      1.640959
  H      -2.846593      0.966132      1.812470
  H      -6.141685     -2.708808      2.217919
  H      -8.465673     -6.255238      3.426780
  H     -10.157614     -5.057180      4.792699
  H      -5.555452     -3.209555      4.461430
  H      -1.635238     -5.446621      7.069325
  H      -2.298002     -5.011695      9.417931
  H      -5.804491     -5.872048      6.011342
  N      -4.670603     -2.791915      5.071048
  N      -5.100862     -1.720982      5.804515
  H      -4.375465     -0.960888      5.844169
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.524311725268
  N      -3.579593     -3.584588      2.111763
  C      -2.645803     -4.105337      1.130068
  C      -2.224075     -5.486346      1.631235
  N      -3.312229     -6.039135      2.480381
  C      -4.456356     -6.490843      1.620070
  C      -5.751565     -6.528687      2.432804
  N      -5.750818     -5.339482      3.265176
  Mo     -4.107280     -4.400095      3.808528
  N      -3.311514     -5.738617      4.986485
  C      -2.272013     -6.668729      4.590099
  C      -2.788372     -7.202591      3.255419
  H      -2.168483     -7.482052      5.322005
  H      -1.293950     -6.170914      4.474651
  H      -3.607778     -7.904254      3.449270
  H      -2.005062     -7.718162      2.681080
  H      -6.613667     -6.536012      1.748161
  H      -5.809074     -7.433862      3.065638
  H      -4.579741     -5.781045      0.794058
  H      -4.224717     -7.479435      1.195774
  H      -1.759713     -3.462276      1.019071
  H      -3.140625     -4.153091      0.144916
  H      -1.326419     -5.399825      2.255976
  H      -2.013695     -6.166452      0.791825
  C      -4.011788     -2.255886      2.050616
  C      -3.114035     -1.178136      1.861706
  C      -3.518855      0.143805      1.965820
  C      -4.823790      0.420652      2.334929
  F      -5.193094      1.711280      2.503842
  C      -5.769443     -0.595514      2.502932
  C      -7.133276     -0.311506      3.032728
  O      -8.064576     -1.080514      2.854041
  C      -7.387078      0.958917      3.901801
  O      -8.318466      1.683918      3.591168
  C      -6.508466      1.294694      5.103215
  O      -5.538882      0.683026      5.527068
  Cl     -6.960136      2.822344      5.830887
  C      -5.371788     -1.933710      2.261251
  C      -6.899766     -4.848830      3.882505
  C      -8.200880     -5.376466      3.944693
  C      -9.164106     -4.710694      4.717240
  C      -8.856083     -3.562252      5.437027
  F      -9.814063     -3.008571      6.218631
  C      -7.564509     -2.997252      5.410741
  C      -7.216301     -1.716567      6.154966
  O      -7.960216     -0.753718      6.124415
  C      -5.837227     -1.597207      6.891880
  O      -4.714908     -2.680864      6.673916
  C      -5.564285     -0.425610      7.743294
  O      -6.345069      0.332772      8.238539
  Cl     -3.801007     -0.269166      8.057280
  C      -6.658985     -3.672205      4.583600
  C      -3.663109     -5.588943      6.327453
  C      -2.679352     -5.403367      7.329028
  C      -3.028449     -5.164167      8.648733
  C      -4.371784     -5.096976      8.992891
  F      -4.691550     -4.823200     10.277251
  C      -5.381912     -5.332531      8.053049
  C      -6.823502     -5.252798      8.373254
  O      -7.705828     -5.509993      7.567511
  C      -7.265072     -4.714106      9.749718
  O      -7.683606     -5.403900     10.652928
  C      -7.196211     -3.177576      9.810410
  O      -6.339167     -2.525564      9.261537
  Cl     -8.518514     -2.456907     10.700484
  C      -5.008348     -5.611390      6.721367
  H      -2.070190     -1.381080      1.626928
  H      -2.823162      0.964715      1.803580
  H      -6.150824     -2.692724      2.212739
  H      -8.478190     -6.290358      3.418256
  H     -10.178238     -5.099038      4.787134
  H      -5.571074     -3.224899      4.447304
  H      -1.624623     -5.445817      7.060776
  H      -2.273119     -5.008405      9.416359
  H      -5.798949     -5.887184      6.026424
  N      -4.653339     -2.797087      5.062451
  N      -5.103788     -1.704813      5.789576
  H      -4.387968     -0.938076      5.822828
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.572418035988
  N      -3.574884     -3.578080      2.104725
  C      -2.640695     -4.107100      1.127132
  C      -2.225186     -5.490068      1.626585
  N      -3.315391     -6.043944      2.474470
  C      -4.463125     -6.490471      1.613443
  C      -5.759257     -6.525944      2.424626
  N      -5.762041     -5.338127      3.259484
  Mo     -4.106092     -4.403273      3.805891
  N      -3.311273     -5.752063      4.991236
  C      -2.275617     -6.682288      4.584311
  C      -2.794531     -7.210774      3.249322
  H      -2.172420     -7.498824      5.313780
  H      -1.295008     -6.188249      4.467019
  H      -3.616774     -7.909997      3.441549
  H      -2.013571     -7.727410      2.670950
  H      -6.620320     -6.530403      1.737273
  H      -5.819250     -7.434613      3.053582
  H      -4.581590     -5.776867      0.789586
  H      -4.233254     -7.479157      1.186272
  H      -1.750353     -3.468321      1.018146
  H      -3.133067     -4.153401      0.139949
  H      -1.328499     -5.408495      2.253972
  H      -2.015055     -6.170183      0.786042
  C      -4.000860     -2.245515      2.041572
  C      -3.093030     -1.175294      1.861162
  C      -3.489113      0.151431      1.969126
  C      -4.798031      0.433965      2.326977
  F      -5.163560      1.727880      2.493336
  C      -5.752758     -0.577967      2.481233
  C      -7.128296     -0.295653      2.982349
  O      -8.056876     -1.061460      2.776772
  C      -7.418281      0.972452      3.842218
  O      -8.341976      1.690962      3.497749
  C      -6.587192      1.305663      5.078329
  O      -5.642819      0.684440      5.534948
  Cl     -7.071371      2.829481      5.806206
  C      -5.357982     -1.913227      2.243435
  C      -6.917119     -4.845901      3.876953
  C      -8.219146     -5.372008      3.937092
  C      -9.179311     -4.702166      4.714782
  C      -8.864855     -3.556501      5.438968
  F      -9.821997     -3.003797      6.224903
  C      -7.568935     -2.997227      5.411674
  C      -7.217914     -1.719504      6.165145
  O      -7.961213     -0.760925      6.130765
  C      -5.834737     -1.586073      6.926320
  O      -4.677022     -2.682933      6.730046
  C      -5.577226     -0.413001      7.776520
  O      -6.376623      0.332527      8.262943
  Cl     -3.811012     -0.233719      8.113713
  C      -6.677207     -3.672475      4.579816
  C      -3.659221     -5.605591      6.334740
  C      -2.669774     -5.423686      7.332293
  C      -3.009367     -5.184485      8.655185
  C      -4.351567     -5.113144      9.004571
  F      -4.663918     -4.838525     10.291859
  C      -5.367443     -5.343604      8.069779
  C      -6.805865     -5.255163      8.399702
  O      -7.697117     -5.511347      7.602196
  C      -7.250452     -4.714534      9.775202
  O      -7.670157     -5.412793     10.671608
  C      -7.188623     -3.177589      9.853083
  O      -6.331778     -2.517069      9.317241
  Cl     -8.516886     -2.471169     10.757905
  C      -5.001960     -5.623749      6.735812
  H      -2.048197     -1.387186      1.633553
  H      -2.785627      0.968713      1.815496
  H      -6.139746     -2.669756      2.189576
  H      -8.501607     -6.285184      3.409110
  H     -10.195658     -5.087492      4.786450
  H      -5.570858     -3.231267      4.439950
  H      -1.615960     -5.468290      7.056369
  H      -2.248710     -5.031321      9.419547
  H      -5.796619     -5.892862      6.041904
  N      -4.609157     -2.804980      5.058622
  N      -5.064097     -1.694248      5.785508
  H      -4.349410     -0.930355      5.813492
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.612929538900
  N      -3.581972     -3.570778      2.097719
  C      -2.645088     -4.103734      1.124530
  C      -2.227084     -5.485477      1.624291
  N      -3.315530     -6.045592      2.471561
  C      -4.463465     -6.495277      1.611105
  C      -5.760118     -6.535390      2.421308
  N      -5.774338     -5.348004      3.255961
  Mo     -4.112605     -4.405983      3.803951
  N      -3.310764     -5.757618      4.998513
  C      -2.272881     -6.682240      4.582615
  C      -2.790354     -7.210999      3.248241
  H      -2.164929     -7.500047      5.310698
  H      -1.293069     -6.185909      4.463376
  H      -3.611057     -7.912481      3.439845
  H      -2.008659     -7.724736      2.667023
  H      -6.619860     -6.543923      1.731401
  H      -5.816779     -7.446491      3.047940
  H      -4.581764     -5.780149      0.788265
  H      -4.229120     -7.483020      1.182853
  H      -1.754411     -3.464332      1.016646
  H      -3.134734     -4.152475      0.135573
  H      -1.331769     -5.402267      2.253972
  H      -2.012977     -6.165404      0.783936
  C      -4.006788     -2.236525      2.029797
  C      -3.093219     -1.171012      1.850974
  C      -3.479061      0.159283      1.961849
  C      -4.785423      0.445807      2.323021
  F      -5.145674      1.741458      2.497026
  C      -5.744697     -0.561924      2.478385
  C      -7.112444     -0.267195      2.988788
  O      -8.052358     -1.022021      2.794939
  C      -7.386695      1.012165      3.839204
  O      -8.307993      1.730103      3.491589
  C      -6.543507      1.359031      5.067137
  O      -5.602901      0.738060      5.523931
  Cl     -7.018926      2.897267      5.781203
  C      -5.360356     -1.897622      2.235159
  C      -6.938715     -4.861753      3.871322
  C      -8.237411     -5.396204      3.929731
  C      -9.200057     -4.728920      4.709992
  C      -8.888454     -3.582510      5.435619
  F      -9.848851     -3.035431      6.223509
  C      -7.592062     -3.020972      5.405075
  C      -7.242658     -1.746213      6.158130
  O      -7.991585     -0.794989      6.116515
  C      -5.856754     -1.587345      6.935395
  O      -4.664779     -2.681314      6.776343
  C      -5.620826     -0.404791      7.772746
  O      -6.438774      0.330288      8.244968
  Cl     -3.853730     -0.188787      8.121695
  C      -6.707117     -3.688925      4.572955
  C      -3.655624     -5.615014      6.344230
  C      -2.662716     -5.429810      7.338061
  C      -2.996505     -5.190303      8.662867
  C      -4.338481     -5.121215      9.014969
  F      -4.648047     -4.844698     10.303397
  C      -5.357021     -5.353888      8.083803
  C      -6.792696     -5.262772      8.419445
  O      -7.690294     -5.524222      7.629884
  C      -7.242051     -4.716658      9.791094
  O      -7.660229     -5.418971     10.684688
  C      -7.191169     -3.178872      9.874990
  O      -6.336864     -2.511713      9.346636
  Cl     -8.525996     -2.484486     10.789759
  C      -4.995927     -5.635869      6.749678
  H      -2.049184     -1.390436      1.623676
  H      -2.769827      0.972691      1.809987
  H      -6.145375     -2.652046      2.189247
  H      -8.517373     -6.311530      3.402284
  H     -10.215251     -5.118846      4.783495
  H      -5.587793     -3.249831      4.428272
  H      -1.609614     -5.470717      7.056094
  H      -2.233090     -5.034055      9.424707
  H      -5.791934     -5.903095      6.055807
  N      -4.583364     -2.819993      5.044250
  N      -5.049838     -1.698497      5.763113
  H      -4.342083     -0.933111      5.782402
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.649449836263
  N      -3.583641     -3.559995      2.095910
  C      -2.645107     -4.097489      1.126496
  C      -2.228485     -5.480027      1.624236
  N      -3.316857     -6.044440      2.469474
  C      -4.466300     -6.491901      1.609246
  C      -5.763981     -6.533094      2.419191
  N      -5.786076     -5.347584      3.255471
  Mo     -4.115690     -4.405853      3.805623
  N      -3.311914     -5.762521      5.007490
  C      -2.274303     -6.684562      4.581502
  C      -2.791172     -7.210703      3.246633
  H      -2.164224     -7.504831      5.307011
  H      -1.294074     -6.188563      4.461756
  H      -3.612464     -7.912207      3.436443
  H      -2.010115     -7.723231      2.662571
  H      -6.622325     -6.541792      1.726860
  H      -5.820436     -7.447067      3.042260
  H      -4.582357     -5.773717      0.788547
  H      -4.231272     -7.478776      1.178331
  H      -1.752765     -3.459434      1.020442
  H      -3.131961     -4.146301      0.135793
  H      -1.334337     -5.398704      2.256376
  H      -2.012074     -6.158717      0.783022
  C      -4.004770     -2.223329      2.022830
  C      -3.085701     -1.162580      1.848484
  C      -3.466024      0.170221      1.961771
  C      -4.773946      0.458816      2.316850
  F      -5.133041      1.755607      2.490888
  C      -5.737609     -0.546563      2.464830
  C      -7.109497     -0.251735      2.960393
  O      -8.050705     -1.001771      2.756102
  C      -7.394804      1.030782      3.801363
  O      -8.308516      1.748201      3.438865
  C      -6.567480      1.373951      5.043405
  O      -5.644360      0.741244      5.510030
  Cl     -7.048195      2.914932      5.757639
  C      -5.355827     -1.880274      2.223652
  C      -6.957875     -4.863603      3.869756
  C      -8.255763     -5.399578      3.926166
  C      -9.217348     -4.731076      4.710312
  C      -8.903770     -3.586640      5.440111
  F      -9.864285     -3.042804      6.231308
  C      -7.604150     -3.029446      5.407122
  C      -7.241452     -1.763095      6.160679
  O      -7.984672     -0.808150      6.115747
  C      -5.851956     -1.594987      6.948505
  O      -4.643754     -2.687035      6.827031
  C      -5.625537     -0.407003      7.777202
  O      -6.453100      0.326024      8.237881
  Cl     -3.856761     -0.173584      8.137770
  C      -6.728920     -3.692849      4.572166
  C      -3.652868     -5.625390      6.355852
  C      -2.656912     -5.441479      7.346820
  C      -2.985808     -5.203161      8.673498
  C      -4.327504     -5.133454      9.027650
  F      -4.634802     -4.856862     10.317166
  C      -5.348533     -5.363959      8.098794
  C      -6.781714     -5.267835      8.438255
  O      -7.684789     -5.531027      7.654721
  C      -7.235220     -4.718682      9.807070
  O      -7.653934     -5.424975     10.696850
  C      -7.191278     -3.180542      9.898410
  O      -6.337823     -2.508640      9.378181
  Cl     -8.530416     -2.496126     10.822939
  C      -4.991188     -5.645888      6.764489
  H      -2.041267     -1.387382      1.626192
  H      -2.752491      0.981332      1.815379
  H      -6.141621     -2.634518      2.178828
  H      -8.537860     -6.314534      3.398163
  H     -10.232973     -5.120928      4.784971
  H      -5.599963     -3.265003      4.421781
  H      -1.604587     -5.481030      7.059933
  H      -2.220085     -5.047334      9.433615
  H      -5.788705     -5.907714      6.069632
  N      -4.548991     -2.841428      5.029156
  N      -5.014120     -1.713968      5.743675
  H      -4.306294     -0.952913      5.753588
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.682827988079
  N      -3.587903     -3.549358      2.095113
  C      -2.647144     -4.089434      1.129011
  C      -2.229820     -5.471908      1.625184
  N      -3.316999     -6.041835      2.468372
  C      -4.466850     -6.489376      1.609038
  C      -5.764954     -6.533028      2.419676
  N      -5.796806     -5.348879      3.256897
  Mo     -4.120484     -4.405004      3.808045
  N      -3.313116     -5.762627      5.016612
  C      -2.273639     -6.680466      4.581892
  C      -2.788662     -7.206668      3.246774
  H      -2.159951     -7.502352      5.305358
  H      -1.294264     -6.182739      4.462046
  H      -3.609155     -7.909612      3.435395
  H      -2.007148     -7.717150      2.661003
  H      -6.621962     -6.543864      1.725223
  H      -5.819618     -7.449265      3.039941
  H      -4.582442     -5.768990      0.790066
  H      -4.230272     -7.475237      1.175920
  H      -1.754233     -3.451413      1.024297
  H      -3.131214     -4.139290      0.136738
  H      -1.336949     -5.390567      2.259583
  H      -2.009892     -6.149286      0.783532
  C      -4.006785     -2.210951      2.015721
  C      -3.084369     -1.153693      1.841894
  C      -3.460450      0.180756      1.956544
  C      -4.768131      0.470588      2.312425
  F      -5.125283      1.767848      2.490010
  C      -5.733577     -0.533073      2.460792
  C      -7.103133     -0.238266      2.958696
  O      -8.047133     -0.985941      2.760482
  C      -7.385759      1.050210      3.791191
  O      -8.299802      1.764915      3.430202
  C      -6.547068      1.397818      5.027466
  O      -5.625932      0.761166      5.483945
  Cl     -7.021153      2.943962      5.742374
  C      -5.355165     -1.865639      2.217936
  C      -6.976716     -4.870285      3.868500
  C      -8.272581     -5.410444      3.922974
  C      -9.235349     -4.743365      4.709454
  C      -8.924095     -3.599570      5.442632
  F      -9.885895     -3.060714      6.235602
  C      -7.623371     -3.043135      5.407649
  C      -7.246951     -1.785356      6.156871
  O      -7.984637     -0.825280      6.107516
  C      -5.855204     -1.608021      6.948501
  O      -4.638416     -2.688928      6.871609
  C      -5.637774     -0.411845      7.763367
  O      -6.472047      0.322767      8.211146
  Cl     -3.867826     -0.158690      8.129895
  C      -6.753320     -3.700120      4.571051
  C      -3.650490     -5.631743      6.367808
  C      -2.652830     -5.446873      7.356376
  C      -2.979161     -5.209945      8.684243
  C      -4.320888     -5.141788      9.039296
  F      -4.627920     -4.864962     10.329094
  C      -5.342952     -5.372439      8.111744
  C      -6.774241     -5.273392      8.452623
  O      -7.680913     -5.540416      7.673901
  C      -7.232350     -4.720059      9.817685
  O      -7.651117     -5.427869     10.705781
  C      -7.195549     -3.181340      9.910993
  O      -6.343300     -2.506224      9.395884
  Cl     -8.538189     -2.504424     10.842629
  C      -4.987316     -5.654314      6.778015
  H      -2.040212     -1.382421      1.621222
  H      -2.744340      0.990076      1.811809
  H      -6.141039     -2.620610      2.180389
  H      -8.553754     -6.325821      3.395032
  H     -10.250092     -5.136084      4.784585
  H      -5.620685     -3.284027      4.415069
  H      -1.601071     -5.482922      7.065951
  H      -2.212414     -5.052752      9.443231
  H      -5.785189     -5.912141      6.081562
  N      -4.525360     -2.866488      5.008979
  N      -4.989038     -1.739175      5.715142
  H      -4.281677     -0.981488      5.713951
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.713366322822
  N      -3.590254     -3.537523      2.097403
  C      -2.647726     -4.079719      1.133871
  C      -2.231102     -5.462935      1.627238
  N      -3.317584     -6.037797      2.467704
  C      -4.468567     -6.483386      1.609463
  C      -5.766802     -6.528320      2.421584
  N      -5.806562     -5.345847      3.260715
  Mo     -4.123898     -4.402892      3.812365
  N      -3.314934     -5.760973      5.025719
  C      -2.274300     -6.675492      4.582499
  C      -2.787774     -7.201390      3.246825
  H      -2.157809     -7.499279      5.303579
  H      -1.295501     -6.176680      4.463336
  H      -3.608105     -7.905036      3.434111
  H      -2.006140     -7.710672      2.659902
  H      -6.622677     -6.539984      1.725378
  H      -5.820650     -7.446924      3.038597
  H      -4.583354     -5.760216      0.792726
  H      -4.232452     -7.468235      1.173333
  H      -1.753875     -3.442404      1.030625
  H      -3.129145     -4.129488      0.140134
  H      -1.339421     -5.382845      2.263823
  H      -2.008170     -6.138432      0.784662
  C      -4.006028     -2.197327      2.011132
  C      -3.080881     -1.142990      1.838051
  C      -3.455143      0.192214      1.953082
  C      -4.763916      0.482592      2.306448
  F      -5.120455      1.780085      2.483790
  C      -5.730581     -0.519892      2.453214
  C      -7.101653     -0.228685      2.945266
  O      -8.045102     -0.976526      2.746532
  C      -7.387662      1.063894      3.768609
  O      -8.299912      1.778003      3.407449
  C      -6.542862      1.407116      5.004618
  O      -5.627883      0.759628      5.451297
  Cl     -7.009625      2.954266      5.727542
  C      -5.352575     -1.851370      2.212123
  C      -6.993386     -4.872447      3.869537
  C      -8.287920     -5.414680      3.922084
  C      -9.250646     -4.748711      4.711356
  C      -8.941009     -3.606552      5.449100
  F      -9.902578     -3.072459      6.244240
  C      -7.639532     -3.051217      5.413369
  C      -7.244762     -1.803479      6.158281
  O      -7.973362     -0.834161      6.106365
  C      -5.850872     -1.624727      6.947578
  O      -4.635943     -2.689314      6.914826
  C      -5.638161     -0.421120      7.749514
  O      -6.474378      0.318611      8.186677
  Cl     -3.866650     -0.154599      8.120838
  C      -6.774034     -3.702797      4.573415
  C      -3.648268     -5.637687      6.380206
  C      -2.649262     -5.453423      7.366716
  C      -2.973996     -5.219013      8.695697
  C      -4.315693     -5.151948      9.051563
  F      -4.622698     -4.876103     10.341600
  C      -5.338623     -5.381190      8.124667
  C      -6.768461     -5.279118      8.465861
  O      -7.677659     -5.549087      7.690546
  C      -7.230703     -4.723056      9.827832
  O      -7.649875     -5.431962     10.714501
  C      -7.199693     -3.183917      9.922433
  O      -6.348397     -2.506427      9.411347
  Cl     -8.544217     -2.513313     10.860883
  C      -4.984043     -5.661744      6.791347
  H      -2.036542     -1.374197      1.620565
  H      -2.737489      1.000577      1.810639
  H      -6.137417     -2.607978      2.180267
  H      -8.569194     -6.329553      3.393686
  H     -10.264729     -5.143395      4.786604
  H      -5.642941     -3.301539      4.412406
  H      -1.598040     -5.486225      7.073554
  H      -2.206559     -5.061678      9.453953
  H      -5.782173     -5.914142      6.092831
  N      -4.502141     -2.892857      4.989941
  N      -4.959798     -1.771177      5.687762
  H      -4.250562     -1.018009      5.675822
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.741064485713
  N      -3.592153     -3.526088      2.100881
  C      -2.648053     -4.069950      1.139363
  C      -2.232067     -5.454027      1.629676
  N      -3.317810     -6.033606      2.467185
  C      -4.470068     -6.477067      1.610397
  C      -5.768101     -6.523051      2.424440
  N      -5.815158     -5.341979      3.265516
  Mo     -4.126878     -4.400377      3.817040
  N      -3.316947     -5.757241      5.034204
  C      -2.274970     -6.668627      4.583608
  C      -2.786587     -7.195194      3.247465
  H      -2.155774     -7.493998      5.302571
  H      -1.296869     -6.168526      4.465631
  H      -3.606738     -7.899451      3.433757
  H      -2.004589     -7.703855      2.660396
  H      -6.622981     -6.535721      1.726773
  H      -5.821176     -7.443724      3.038448
  H      -4.584355     -5.751265      0.795845
  H      -4.235284     -7.461004      1.171256
  H      -1.753385     -3.433354      1.037347
  H      -3.127029     -4.119377      0.144316
  H      -1.341530     -5.375119      2.268273
  H      -2.006000     -6.127479      0.786164
  C      -4.004641     -2.184292      2.007088
  C      -3.077749     -1.132204      1.832809
  C      -3.451964      0.203188      1.947413
  C      -4.761511      0.493794      2.300446
  F      -5.117228      1.791320      2.477723
  C      -5.728206     -0.508009      2.448791
  C      -7.099818     -0.222899      2.940362
  O      -8.040795     -0.974658      2.745815
  C      -7.388572      1.072996      3.755825
  O      -8.303733      1.784411      3.401230
  C      -6.528875      1.413768      4.984424
  O      -5.612473      0.759052      5.412492
  Cl     -6.986135      2.959967      5.718592
  C      -5.349662     -1.838635      2.208927
  C      -7.008274     -4.874545      3.870877
  C      -8.301334     -5.419073      3.921567
  C      -9.264161     -4.754985      4.713281
  C      -8.957305     -3.614277      5.455586
  F      -9.918534     -3.085336      6.252506
  C      -7.656399     -3.058006      5.420157
  C      -7.243225     -1.819121      6.160158
  O      -7.962300     -0.839812      6.106088
  C      -5.848283     -1.641985      6.941821
  O      -4.642021     -2.682842      6.952846
  C      -5.639792     -0.429474      7.730042
  O      -6.475157      0.317262      8.157639
  Cl     -3.866525     -0.149495      8.102755
  C      -6.793404     -3.704515      4.576257
  C      -3.646095     -5.642253      6.392042
  C      -2.646310     -5.458594      7.376858
  C      -2.970776     -5.227174      8.706676
  C      -4.312546     -5.161628      9.062918
  F      -4.620173     -4.887174     10.352930
  C      -5.335843     -5.389539      8.136041
  C      -6.764813     -5.285052      8.476172
  O      -7.675218     -5.558298      7.702978
  C      -7.230954     -4.726239      9.834985
  O      -7.650522     -5.434907     10.721423
  C      -7.204666     -3.186762      9.927993
  O      -6.354172     -2.508326      9.418515
  Cl     -8.549448     -2.519858     10.872046
  C      -4.981264     -5.668201      6.803229
  H      -2.033340     -1.364715      1.617357
  H      -2.733949      1.011239      1.805588
  H      -6.132780     -2.597535      2.185271
  H      -8.582017     -6.333529      3.392837
  H     -10.277237     -5.152312      4.788442
  H      -5.670123     -3.318638      4.411350
  H      -1.595484     -5.487620      7.081908
  H      -2.203224     -5.069646      9.464655
  H      -5.779212     -5.914895      6.102227
  N      -4.483275     -2.917675      4.971144
  N      -4.934307     -1.806428      5.658870
  H      -4.223158     -1.057031      5.636629
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.765846151089
  N      -3.591971     -3.515095      2.105489
  C      -2.646905     -4.060856      1.145393
  C      -2.232662     -5.446464      1.631984
  N      -3.318133     -6.029886      2.466236
  C      -4.472484     -6.469719      1.611353
  C      -5.769995     -6.515580      2.427881
  N      -5.822615     -5.335872      3.271268
  Mo     -4.128220     -4.397608      3.821915
  N      -3.318739     -5.752822      5.041674
  C      -2.276193     -6.662162      4.584399
  C      -2.786449     -7.189486      3.247860
  H      -2.154977     -7.489090      5.301320
  H      -1.298436     -6.161455      4.467966
  H      -3.607014     -7.893559      3.433498
  H      -2.004367     -7.698722      2.661392
  H      -6.624193     -6.528517      1.729214
  H      -5.823016     -7.438164      3.038924
  H      -4.586014     -5.741103      0.799144
  H      -4.240877     -7.452982      1.168901
  H      -1.751017     -3.425690      1.044483
  H      -3.123775     -4.109044      0.149202
  H      -1.343109     -5.369650      2.272422
  H      -2.003921     -6.117600      0.787253
  C      -4.000413     -2.171698      2.003792
  C      -3.072307     -1.121460      1.827500
  C      -3.448168      0.213641      1.940841
  C      -4.758784      0.504256      2.292783
  F      -5.114138      1.801775      2.467967
  C      -5.725035     -0.497193      2.443104
  C      -7.098684     -0.220157      2.932361
  O      -8.034795     -0.978386      2.739958
  C      -7.393560      1.077371      3.740885
  O      -8.312498      1.785816      3.393382
  C      -6.520605      1.413230      4.962924
  O      -5.601965      0.750910      5.371589
  Cl     -6.969570      2.955416      5.711788
  C      -5.344485     -1.827085      2.206092
  C      -7.020893     -4.874009      3.873211
  C      -8.312818     -5.420094      3.922426
  C      -9.275130     -4.758082      4.716788
  C      -8.970885     -3.619179      5.463860
  F      -9.931328     -3.095421      6.262881
  C      -7.671409     -3.060887      5.429622
  C      -7.240464     -1.829352      6.166265
  O      -7.949861     -0.839795      6.111062
  C      -5.845868     -1.657516      6.936614
  O      -4.654225     -2.668757      6.987773
  C      -5.641567     -0.435574      7.712457
  O      -6.473704      0.319155      8.132372
  Cl     -3.866080     -0.143867      8.085047
  C      -6.810081     -3.703199      4.580613
  C      -3.643389     -5.646658      6.402887
  C      -2.642970     -5.464610      7.386273
  C      -2.967916     -5.236824      8.716841
  C      -4.309762     -5.172578      9.073411
  F      -4.617976     -4.900371     10.363442
  C      -5.333380     -5.398223      8.146172
  C      -6.762006     -5.291604      8.484548
  O      -7.672600     -5.567682      7.712257
  C      -7.231551     -4.731203      9.840834
  O      -7.651450     -5.439448     10.727377
  C      -7.208816     -3.191716      9.931482
  O      -6.358952     -2.513222      9.421900
  Cl     -8.551961     -2.526767     10.881107
  C      -4.978320     -5.674001      6.813659
  H      -2.027645     -1.354287      1.614303
  H      -2.730646      1.022018      1.799167
  H      -6.125298     -2.588730      2.190971
  H      -8.593171     -6.333930      3.393295
  H     -10.287205     -5.157891      4.791963
  H      -5.701030     -3.333284      4.413054
  H      -1.592451     -5.490060      7.090193
  H      -2.200468     -5.079870      9.474888
  H      -5.776019     -5.914021      6.109900
  N      -4.466476     -2.938688      4.955118
  N      -4.910373     -1.841419      5.632923
  H      -4.197255     -1.094936      5.602061
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.787610248203
  N      -3.589240     -3.505568      2.109979
  C      -2.644016     -4.053919      1.150799
  C      -2.232754     -5.441646      1.633384
  N      -3.318482     -6.027721      2.464296
  C      -4.475787     -6.462538      1.611981
  C      -5.772333     -6.506882      2.431586
  N      -5.828784     -5.328317      3.277281
  Mo     -4.127580     -4.395126      3.825934
  N      -3.319715     -5.748327      5.047427
  C      -2.277552     -6.656930      4.584329
  C      -2.787295     -7.185281      3.247753
  H      -2.154964     -7.485220      5.299504
  H      -1.299729     -6.156456      4.469427
  H      -3.608934     -7.888226      3.433386
  H      -2.005538     -7.696547      2.662651
  H      -6.626254     -6.519580      1.732468
  H      -5.825919     -7.431063      3.039998
  H      -4.588305     -5.731135      0.802079
  H      -4.249278     -7.445501      1.166170
  H      -1.746380     -3.421069      1.050696
  H      -3.119231     -4.100073      0.153672
  H      -1.344004     -5.367787      2.275457
  H      -2.001883     -6.110409      0.787275
  C      -3.992922     -2.160509      2.000264
  C      -3.064098     -1.111933      1.820542
  C      -3.442859      0.222636      1.932077
  C      -4.754326      0.513258      2.283925
  F      -5.109337      1.810761      2.456376
  C      -5.719621     -0.488088      2.438022
  C      -7.095468     -0.220709      2.926934
  O      -8.024629     -0.988185      2.737503
  C      -7.399019      1.076759      3.730259
  O      -8.324751      1.779706      3.391761
  C      -6.512483      1.410033      4.943859
  O      -5.587353      0.744509      5.331332
  Cl     -6.956715      2.945800      5.708220
  C      -5.336310     -1.817233      2.204184
  C      -7.031319     -4.871619      3.875856
  C      -8.322208     -5.419371      3.924256
  C      -9.283875     -4.760063      4.721262
  C      -8.982502     -3.622864      5.472708
  F      -9.942344     -3.104581      6.274028
  C      -7.685501     -3.060844      5.440083
  C      -7.240274     -1.834009      6.175249
  O      -7.942080     -0.835811      6.119294
  C      -5.848261     -1.668300      6.932344
  O      -4.674360     -2.644572      7.018933
  C      -5.650511     -0.435938      7.697083
  O      -6.478596      0.326399      8.110655
  Cl     -3.872402     -0.131588      8.067996
  C      -6.824955     -3.699534      4.585440
  C      -3.639730     -5.650880      6.411848
  C      -2.638692     -5.471144      7.393969
  C      -2.964667     -5.247276      8.725171
  C      -4.306608     -5.184106      9.082074
  F      -4.615213     -4.914746     10.372199
  C      -5.330564     -5.406816      8.154284
  C      -6.759345     -5.298473      8.490521
  O      -7.669191     -5.577196      7.718121
  C      -7.231898     -4.737612      9.844932
  O      -7.651759     -5.445639     10.731732
  C      -7.212016     -3.198525      9.932908
  O      -6.362903     -2.520513      9.421509
  Cl     -8.551678     -2.534233     10.888468
  C      -4.974724     -5.678973      6.821872
  H      -2.019206     -1.344374      1.608919
  H      -2.726580      1.031822      1.789463
  H      -6.114412     -2.581885      2.199140
  H      -8.601927     -6.332792      3.394928
  H     -10.294750     -5.162748      4.796780
  H      -5.735895     -3.344863      4.416552
  H      -1.588395     -5.493312      7.097281
  H      -2.197469     -5.091455      9.483552
  H      -5.772183     -5.911543      6.115235
  N      -4.452477     -2.953721      4.941893
  N      -4.891025     -1.872275      5.610407
  H      -4.177143     -1.126782      5.573415
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.806397536587
  N      -3.582854     -3.497765      2.113962
  C      -2.638646     -4.049887      1.155195
  C      -2.232390     -5.440499      1.633460
  N      -3.319243     -6.027528      2.460980
  C      -4.480694     -6.455214      1.612055
  C      -5.775662     -6.496108      2.435502
  N      -5.833622     -5.318522      3.283547
  Mo     -4.124182     -4.392988      3.828664
  N      -3.319342     -5.744480      5.050948
  C      -2.279207     -6.654242      4.582670
  C      -2.790036     -7.183422      3.246620
  H      -2.156161     -7.483779      5.296379
  H      -1.300624     -6.155441      4.468917
  H      -3.613798     -7.883790      3.433049
  H      -2.009471     -7.698612      2.663408
  H      -6.629877     -6.507702      1.736658
  H      -5.830673     -7.421595      3.041615
  H      -4.591662     -5.720929      0.804490
  H      -4.261760     -7.438318      1.162731
  H      -1.738400     -3.420707      1.055578
  H      -3.112764     -4.092905      0.157370
  H      -1.344235     -5.371032      2.276980
  H      -2.000305     -6.106872      0.785729
  C      -3.980883     -2.150861      1.996410
  C      -3.051580     -1.104004      1.812289
  C      -3.434160      0.229896      1.921603
  C      -4.746434      0.520691      2.273322
  F      -5.101369      1.818222      2.441706
  C      -5.710660     -0.480604      2.431863
  C      -7.089616     -0.223620      2.919516
  O      -8.010082     -1.001915      2.731362
  C      -7.405322      1.072053      3.718944
  O      -8.338986      1.767674      3.388228
  C      -6.509457      1.403990      4.925832
  O      -5.576473      0.738385      5.294375
  Cl     -6.954341      2.931038      5.705615
  C      -5.323847     -1.808959      2.202301
  C      -7.039601     -4.866353      3.879087
  C      -8.329527     -5.416088      3.927644
  C      -9.290430     -4.760317      4.727522
  C      -8.991949     -3.624737      5.482873
  F      -9.951453     -3.112446      6.286993
  C      -7.698296     -3.057443      5.451822
  C      -7.243661     -1.832749      6.188117
  O      -7.941369     -0.828335      6.132017
  C      -5.856850     -1.673004      6.931393
  O      -4.701593     -2.610991      7.046736
  C      -5.669114     -0.429918      7.687256
  O      -6.493162      0.338625      8.096129
  Cl     -3.887838     -0.111981      8.056127
  C      -6.838203     -3.692833      4.591169
  C      -3.634654     -5.655174      6.418369
  C      -2.632721     -5.478826      7.399228
  C      -2.959794     -5.259088      8.731050
  C      -4.301768     -5.196415      9.088600
  F      -4.610127     -4.930678     10.379072
  C      -5.326364     -5.415037      8.160351
  C      -6.755683     -5.305322      8.494721
  O      -7.664128     -5.586191      7.721437
  C      -7.230815     -4.746150      9.848468
  O      -7.649931     -5.455412     10.734819
  C      -7.213698     -3.208005      9.935606
  O      -6.365899     -2.529977      9.421506
  Cl     -8.548104     -2.544868     10.898780
  C      -4.969923     -5.682730      6.827663
  H      -2.006417     -1.335602      1.602013
  H      -2.719599      1.040234      1.777444
  H      -6.098967     -2.576695      2.208166
  H      -8.608323     -6.329351      3.398299
  H     -10.299863     -5.166363      4.803935
  H      -5.772536     -3.351991      4.421910
  H      -1.582619     -5.498449      7.102168
  H      -2.192737     -5.105328      9.489873
  H      -5.767419     -5.906730      6.118226
  N      -4.440115     -2.961839      4.931682
  N      -4.876163     -1.896648      5.593183
  H      -4.163259     -1.149714      5.553825
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.822566197798
  N      -3.572286     -3.492062      2.116941
  C      -2.630462     -4.049361      1.158135
  C      -2.231496     -5.443496      1.632066
  N      -3.320545     -6.029431      2.456225
  C      -4.487306     -6.447733      1.611514
  C      -5.779999     -6.483112      2.439514
  N      -5.837097     -5.306234      3.289787
  Mo     -4.117758     -4.391097      3.829549
  N      -3.317306     -5.741421      5.051836
  C      -2.281174     -6.654562      4.579150
  C      -2.795089     -7.184229      3.244401
  H      -2.158709     -7.485124      5.291824
  H      -1.301014     -6.159181      4.465813
  H      -3.622196     -7.880294      3.432556
  H      -2.016864     -7.705461      2.663466
  H      -6.635110     -6.492801      1.741703
  H      -5.837292     -7.409534      3.043814
  H      -4.596052     -5.710542      0.806230
  H      -4.278442     -7.431421      1.158631
  H      -1.726671     -3.425344      1.058627
  H      -3.104090     -4.088168      0.159876
  H      -1.343780     -5.379984      2.276889
  H      -1.999236     -6.107617      0.782554
  C      -3.963969     -2.143122      1.992059
  C      -3.034388     -1.098123      1.802667
  C      -3.421454      0.235064      1.909681
  C      -4.734409      0.526249      2.261575
  F      -5.089523      1.823815      2.425193
  C      -5.697541     -0.475003      2.425109
  C      -7.080257     -0.228730      2.910910
  O      -7.990725     -1.018817      2.722658
  C      -7.411244      1.063392      3.707902
  O      -8.353914      1.749537      3.383298
  C      -6.510731      1.396151      4.910020
  O      -5.568228      0.734447      5.262274
  Cl     -6.962435      2.912574      5.704237
  C      -5.306653     -1.802443      2.200523
  C      -7.046179     -4.858196      3.882539
  C      -8.334923     -5.410963      3.932338
  C      -9.295338     -4.759895      4.735299
  C      -9.000121     -3.625557      5.493933
  F      -9.959826     -3.120144      6.301313
  C      -7.710610     -3.051271      5.464015
  C      -7.252262     -1.826312      6.203928
  O      -7.950700     -0.818892      6.148285
  C      -5.873427     -1.671130      6.933934
  O      -4.735169     -2.569925      7.070030
  C      -5.699797     -0.417586      7.683223
  O      -6.520333      0.355337      8.088956
  Cl     -3.914508     -0.084693      8.049805
  C      -6.850901     -3.683284      4.597412
  C      -3.628161     -5.659026      6.421915
  C      -2.624971     -5.487080      7.401454
  C      -2.952925     -5.271428      8.733888
  C      -4.294834     -5.208478      9.092487
  F      -4.602177     -4.947032     10.383580
  C      -5.320445     -5.421770      8.164020
  C      -6.750537     -5.310972      8.497246
  O      -7.657206     -5.593209      7.722531
  C      -7.227734     -4.756202      9.851860
  O      -7.645214     -5.469022     10.736402
  C      -7.213553     -3.219574      9.941590
  O      -6.367893     -2.540323      9.424616
  Cl     -8.541123     -2.559406     10.914835
  C      -4.963856     -5.684337      6.830637
  H      -1.988956     -1.328549      1.593366
  H      -2.708941      1.046785      1.763466
  H      -6.078598     -2.573230      2.218178
  H      -8.612076     -6.324547      3.403237
  H     -10.302896     -5.170221      4.813217
  H      -5.808406     -3.353974      4.428118
  H      -1.575069     -5.505159      7.104105
  H      -2.185794     -5.120704      9.493160
  H      -5.761788     -5.898651      6.118638
  N      -4.428509     -2.963125      4.923183
  N      -4.865937     -1.913747      5.581050
  H      -4.156350     -1.162564      5.544160
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.836894552674
  N      -3.557592     -3.488454      2.118933
  C      -2.619436     -4.052151      1.159706
  C      -2.229955     -5.450243      1.629500
  N      -3.322388     -6.032940      2.450324
  C      -4.495384     -6.439661      1.610382
  C      -5.785251     -6.467625      2.443389
  N      -5.839360     -5.291162      3.295734
  Mo     -4.108500     -4.389175      3.828472
  N      -3.313687     -5.739154      5.050098
  C      -2.283598     -6.657943      4.573873
  C      -2.802649     -7.187498      3.241177
  H      -2.162872     -7.489261      5.286018
  H      -1.301001     -6.167843      4.460065
  H      -3.634357     -7.877464      3.431851
  H      -2.028051     -7.716742      2.662648
  H      -6.641737     -6.474624      1.747229
  H      -5.845676     -7.394612      3.046380
  H      -4.601126     -5.699572      0.807284
  H      -4.298706     -7.424264      1.153973
  H      -1.711325     -3.434586      1.060041
  H      -3.093114     -4.085792      0.161257
  H      -1.342622     -5.394204      2.275573
  H      -1.998549     -6.112329      0.778109
  C      -3.942679     -2.137358      1.987551
  C      -3.012999     -1.094262      1.792663
  C      -3.405033      0.238169      1.897590
  C      -4.718681      0.529814      2.249336
  F      -5.074481      1.827350      2.407664
  C      -5.680839     -0.471438      2.417312
  C      -7.068185     -0.235553      2.899110
  O      -7.968104     -1.037163      2.708324
  C      -7.416960      1.051559      3.694769
  O      -8.368108      1.727328      3.373038
  C      -6.517955      1.385635      4.895869
  O      -5.566312      0.729833      5.236034
  Cl     -6.981885      2.889891      5.703472
  C      -5.285296     -1.797825      2.198489
  C      -7.051612     -4.847026      3.885793
  C      -8.338755     -5.404171      3.937735
  C      -9.299139     -4.758873      4.743972
  C      -9.007656     -3.625331      5.505413
  F      -9.968174     -3.127850      6.316431
  C      -7.722793     -3.042652      5.476157
  C      -7.265798     -1.815769      6.222167
  O      -7.970059     -0.808694      6.167894
  C      -5.897348     -1.663675      6.940475
  O      -4.772664     -2.525376      7.087864
  C      -5.741019     -0.401124      7.685582
  O      -6.558331      0.374563      8.089947
  Cl     -3.950366     -0.053048      8.050137
  C      -6.863810     -3.671075      4.603835
  C      -3.620691     -5.661929      6.422407
  C      -2.615863     -5.495358      7.400560
  C      -2.944125     -5.283580      8.733635
  C      -4.285816     -5.219336      9.093751
  F      -4.591292     -4.962724     10.385748
  C      -5.312884     -5.425895      8.165413
  C      -6.743752     -5.313974      8.498703
  O      -7.648721     -5.596126      7.722272
  C      -7.222198     -4.766831      9.856058
  O      -7.637374     -5.486252     10.736650
  C      -7.210854     -3.232247      9.953593
  O      -6.367909     -2.550062      9.434938
  Cl     -8.530520     -2.578053     10.939646
  C      -4.956883     -5.682977      6.830870
  H      -1.967225     -1.323204      1.584302
  H      -2.694729      1.051451      1.749364
  H      -6.053984     -2.571531      2.227808
  H      -8.613453     -6.318563      3.409075
  H     -10.304373     -5.174429      4.823862
  H      -5.840611     -3.350636      4.434185
  H      -1.566196     -5.513173      7.102840
  H      -2.176580     -5.136947      9.493244
  H      -5.755748     -5.886617      6.116740
  N      -4.416283     -2.958988      4.914933
  N      -4.858677     -1.924903      5.573423
  H      -4.154774     -1.166972      5.544490
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.850422255767
  N      -3.540050     -3.486953      2.119953
  C      -2.606358     -4.057650      1.160072
  C      -2.227657     -5.459753      1.626152
  N      -3.324421     -6.037531      2.443714
  C      -4.503996     -6.431328      1.608664
  C      -5.790822     -6.450604      2.446673
  N      -5.840742     -5.274180      3.300784
  Mo     -4.097423     -4.387251      3.825433
  N      -3.308941     -5.737687      5.046162
  C      -2.286336     -6.663775      4.567393
  C      -2.811937     -7.192675      3.237235
  H      -2.168314     -7.495503      5.279563
  H      -1.300671     -6.180359      4.452340
  H      -3.649106     -7.875239      3.430887
  H      -2.041959     -7.731157      2.661024
  H      -6.648875     -6.454419      1.752438
  H      -5.854996     -7.377786      3.048886
  H      -4.606105     -5.688543      0.807500
  H      -4.320553     -7.417025      1.149019
  H      -1.693657     -3.447091      1.060191
  H      -3.080409     -4.085613      0.161595
  H      -1.340761     -5.412087      2.273501
  H      -1.997803     -6.120083      0.772925
  C      -3.918831     -2.133648      1.983083
  C      -2.989179     -1.092412      1.783034
  C      -3.386280      0.239297      1.886485
  C      -4.700569      0.531371      2.237944
  F      -5.057457      1.828784      2.391470
  C      -5.661915     -0.469992      2.409413
  C      -7.054221     -0.243804      2.885899
  O      -7.943847     -1.055913      2.691016
  C      -7.421903      1.037349      3.681223
  O      -8.380600      1.702364      3.359399
  C      -6.529211      1.373205      4.884468
  O      -5.569185      0.724599      5.216217
  Cl     -7.009219      2.864498      5.703976
  C      -5.261526     -1.795162      2.196306
  C      -7.056487     -4.833837      3.887895
  C      -8.341497     -5.396702      3.942418
  C      -9.302460     -4.757742      4.751810
  C      -9.015264     -3.624471      5.515632
  F      -9.977344     -3.135790      6.330247
  C      -7.735222     -3.032427      5.486873
  C      -7.283903     -1.802533      6.241342
  O      -7.998736     -0.799217      6.189431
  C      -5.927627     -1.651786      6.950576
  O      -4.812388     -2.480698      7.099031
  C      -5.790077     -0.382575      7.693267
  O      -6.604072      0.394659      8.098157
  Cl     -3.992203     -0.019761      8.055767
  C      -6.877365     -3.657239      4.609287
  C      -3.612932     -5.663673      6.420247
  C      -2.606188     -5.503005      7.396998
  C      -2.933908     -5.294612      8.730758
  C      -4.275191     -5.228042      9.092807
  F      -4.578072     -4.976307     10.385889
  C      -5.304113     -5.426837      8.165011
  C      -6.735513     -5.313232      8.499819
  O      -7.639349     -5.593487      7.721785
  C      -7.214186     -4.776143      9.861522
  O      -7.626962     -5.504854     10.735853
  C      -7.205156     -3.243913      9.972290
  O      -6.364888     -2.557234      9.454385
  Cl     -8.517001     -2.598913     10.972720
  C      -4.949570     -5.678740      6.828910
  H      -1.943011     -1.319690      1.575536
  H      -2.678140      1.054206      1.736628
  H      -6.027060     -2.571520      2.236389
  H      -8.612967     -6.312378      3.414386
  H     -10.305027     -5.179250      4.833845
  H      -5.867783     -3.343184      4.438713
  H      -1.556811     -5.521802      7.098679
  H      -2.165555     -5.152784      9.490466
  H      -5.749840     -5.871359      6.113267
  N      -4.403561     -2.951824      4.905007
  N      -4.853130     -1.932607      5.567884
  H      -4.157098     -1.166213      5.551586
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.863927798744
  N      -3.521328     -3.487287      2.120282
  C      -2.592430     -4.064953      1.159565
  C      -2.224906     -5.470939      1.622317
  N      -3.326514     -6.042860      2.436787
  C      -4.512568     -6.423265      1.606494
  C      -5.796342     -6.433184      2.449249
  N      -5.841682     -5.256453      3.304761
  Mo     -4.085647     -4.385604      3.820806
  N      -3.303472     -5.737323      5.040785
  C      -2.289113     -6.671546      4.560226
  C      -2.822060     -7.199280      3.232768
  H      -2.174344     -7.503400      5.272825
  H      -1.300064     -6.195589      4.443332
  H      -3.665017     -7.873824      3.429543
  H      -2.057308     -7.747336      2.658513
  H      -6.655970     -6.433514      1.756993
  H      -5.864595     -7.360241      3.051150
  H      -4.610735     -5.678111      0.806948
  H      -4.342451     -7.410104      1.144044
  H      -1.675275     -3.461305      1.059595
  H      -3.066998     -4.087048      0.161151
  H      -1.338511     -5.431949      2.270951
  H      -1.997005     -6.129742      0.767346
  C      -3.894276     -2.131676      1.978951
  C      -2.964513     -1.092322      1.774686
  C      -3.366100      0.238868      1.877368
  C      -4.680949      0.531462      2.228048
  F      -5.039107      1.828755      2.377499
  C      -5.641903     -0.469995      2.401609
  C      -7.039183     -0.251879      2.871317
  O      -7.919849     -1.072390      2.671060
  C      -7.425490      1.023510      3.666299
  O      -8.389684      1.678453      3.340679
  C      -6.543625      1.361285      4.875201
  O      -5.577662      0.719460      5.203467
  Cl     -7.041957      2.840167      5.703727
  C      -5.237086     -1.793940      2.193871
  C      -7.061138     -4.819751      3.888547
  C      -8.343561     -5.389282      3.945737
  C      -9.305590     -4.756638      4.757971
  C      -9.022926     -3.623198      5.523715
  F      -9.987222     -3.143727      6.341642
  C      -7.747524     -3.021439      5.495443
  C      -7.305858     -1.787894      6.260681
  O      -8.035325     -0.791821      6.212041
  C      -5.962898     -1.636043      6.964517
  O      -4.853163     -2.437821      7.103363
  C      -5.844005     -0.363039      7.706129
  O      -6.654665      0.414305      8.113725
  Cl     -4.036989      0.013891      8.066545
  C      -6.891238     -3.642901      4.613139
  C      -3.605106     -5.664883      6.416295
  C      -2.596221     -5.510255      7.391639
  C      -2.922302     -5.304578      8.726198
  C      -4.262951     -5.234927      9.090590
  F      -4.562688     -4.987688     10.384894
  C      -5.294071     -5.425606      8.163826
  C      -6.725555     -5.309700      8.501729
  O      -7.629259     -5.586776      7.722832
  C      -7.203437     -4.783676      9.868757
  O      -7.613570     -5.523399     10.735147
  C      -7.196947     -3.253780      9.996930
  O      -6.359705     -2.561074      9.482161
  Cl     -8.502096     -2.621532     11.012389
  C      -4.941942     -5.673013      6.825840
  H      -1.917919     -1.318121      1.568163
  H      -2.659708      1.055231      1.726604
  H      -5.999850     -2.572467      2.243049
  H      -8.611342     -6.306597      3.418507
  H     -10.305360     -5.184348      4.842174
  H      -5.889839     -3.333415      4.441141
  H      -1.547215     -5.530978      7.092294
  H      -2.152698     -5.167790      9.485628
  H      -5.744064     -5.854930      6.109447
  N      -4.391413     -2.944110      4.892440
  N      -4.848340     -1.939049      5.562016
  H      -4.162072     -1.163354      5.561050
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.877716484832
  N      -3.502598     -3.489279      2.120050
  C      -2.578657     -4.073582      1.158259
  C      -2.222270     -5.483289      1.618108
  N      -3.328893     -6.048941      2.429839
  C      -4.521074     -6.416130      1.604087
  C      -5.801727     -6.416421      2.451272
  N      -5.842373     -5.239069      3.307753
  Mo     -4.073910     -4.384544      3.814944
  N      -3.297474     -5.738390      5.034617
  C      -2.291757     -6.681080      4.552708
  C      -2.832621     -7.207191      3.227964
  H      -2.180389     -7.512845      5.265984
  H      -1.299258     -6.212930      4.433351
  H      -3.681341     -7.873532      3.427946
  H      -2.073523     -7.764625      2.655069
  H      -6.662949     -6.413140      1.761057
  H      -5.874101     -7.343036      3.053351
  H      -4.615298     -5.668968      0.805853
  H      -4.363780     -7.404067      1.139272
  H      -1.657285     -3.476543      1.058289
  H      -3.053869     -4.089826      0.159998
  H      -1.336388     -5.452882      2.267970
  H      -1.996628     -6.140842      0.761564
  C      -3.870222     -2.131208      1.975307
  C      -2.939947     -1.093873      1.768065
  C      -3.344608      0.237216      1.870639
  C      -4.659826      0.530717      2.219974
  F      -5.018993      1.828036      2.366218
  C      -5.621125     -0.470562      2.394170
  C      -7.023057     -0.257748      2.855701
  O      -7.897052     -1.083736      2.649270
  C      -7.426669      1.013131      3.649506
  O      -8.393757      1.659122      3.315895
  C      -6.560187      1.353814      4.867720
  O      -5.591356      0.718242      5.198783
  Cl     -7.078982      2.822201      5.700196
  C      -5.213011     -1.793525      2.191233
  C      -7.065499     -4.805834      3.887944
  C      -8.344888     -5.382831      3.947795
  C      -9.308385     -4.756272      4.762492
  C      -9.030240     -3.622204      5.529412
  F      -9.997201     -3.151893      6.350241
  C      -7.759093     -3.010750      5.501286
  C      -7.331625     -1.773143      6.278863
  O      -8.079399     -0.788196      6.233827
  C      -6.002976     -1.615976      6.982348
  O      -4.894051     -2.397735      7.100371
  C      -5.902120     -0.342539      7.724114
  O      -6.710457      0.432585      8.136373
  Cl     -4.084666      0.048785      8.082809
  C      -6.904625     -3.629058      4.615177
  C      -3.597201     -5.666203      6.411240
  C      -2.585998     -5.517471      7.385168
  C      -2.909243     -5.313750      8.720695
  C      -4.249015     -5.240576      9.087771
  F      -4.545310     -4.997228     10.383431
  C      -5.282583     -5.423377      8.162492
  C      -6.713575     -5.304920      8.504957
  O      -7.618453     -5.578292      7.726488
  C      -7.189596     -4.790050      9.877807
  O      -7.596248     -5.541591     10.735430
  C      -7.186589     -3.262165     10.026147
  O      -6.353644     -2.561880      9.515996
  Cl     -8.486028     -2.646529     11.057787
  C      -4.933821     -5.667033      6.822411
  H      -1.892961     -1.318840      1.562745
  H      -2.639136      1.054522      1.719814
  H      -5.973660     -2.573536      2.247738
  H      -8.608655     -6.302101      3.421590
  H     -10.305315     -5.190199      4.848966
  H      -5.906252     -3.322609      4.441303
  H      -1.537470     -5.540750      7.084242
  H      -2.137953     -5.181879      9.479394
  H      -5.738213     -5.838939      6.106061
  N      -4.380884     -2.937191      4.877335
  N      -4.844100     -1.944864      5.553978
  H      -4.169405     -1.159438      5.569132
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.891619338914
  N      -3.484707     -3.492476      2.119547
  C      -2.565822     -4.082898      1.156371
  C      -2.220319     -5.496144      1.613935
  N      -3.331896     -6.055512      2.423467
  C      -4.529631     -6.410131      1.601838
  C      -5.807029     -6.400998      2.453100
  N      -5.842805     -5.222794      3.310127
  Mo     -4.062780     -4.384115      3.808590
  N      -3.291199     -5.740984      5.028517
  C      -2.294382     -6.692232      4.545293
  C      -2.843690     -7.216177      3.223180
  H      -2.186339     -7.523792      5.259340
  H      -1.298539     -6.232017      4.422696
  H      -3.697984     -7.874355      3.426430
  H      -2.090681     -7.782433      2.650722
  H      -6.669905     -6.394110      1.765032
  H      -5.883324     -7.326877      3.055833
  H      -4.620089     -5.661225      0.804730
  H      -4.384119     -7.398982      1.134943
  H      -1.640458     -3.492129      1.056377
  H      -3.041866     -4.093564      0.158401
  H      -1.334918     -5.473932      2.264896
  H      -1.997306     -6.152861      0.756089
  C      -3.847984     -2.131978      1.972617
  C      -2.916738     -1.096630      1.764098
  C      -3.322345      0.234847      1.867025
  C      -4.637847      0.529704      2.213797
  F      -4.997558      1.827238      2.357447
  C      -5.600468     -0.470934      2.386530
  C      -7.006753     -0.259109      2.836907
  O      -7.877414     -1.086474      2.622852
  C      -7.425293      1.009962      3.627247
  O      -8.390904      1.649779      3.279742
  C      -6.580266      1.354129      4.859800
  O      -5.613654      0.722854      5.202850
  Cl     -7.121500      2.815559      5.688692
  C      -5.190628     -1.793543      2.188211
  C      -7.069174     -4.792673      3.886797
  C      -8.345042     -5.377792      3.949223
  C      -9.310303     -4.756866      4.765862
  C      -9.036436     -3.621665      5.532838
  F     -10.006133     -3.159787      6.355912
  C      -7.768899     -3.001123      5.504190
  C      -7.360207     -1.759954      6.294101
  O      -8.128960     -0.789826      6.252130
  C      -6.046917     -1.592217      7.004294
  O      -4.933259     -2.362941      7.089897
  C      -5.962178     -0.323054      7.747658
  O      -6.770377      0.446900      8.165970
  Cl     -4.134125      0.082298      8.106740
  C      -6.915899     -3.616182      4.615814
  C      -3.589385     -5.667873      6.405924
  C      -2.575736     -5.524898      7.378400
  C      -2.894972     -5.322591      8.715107
  C      -4.233655     -5.245621      9.085082
  F      -4.526485     -5.005761     10.382261
  C      -5.269813     -5.420770      8.161497
  C      -6.699627     -5.299836      8.509567
  O      -7.607223     -5.568585      7.732875
  C      -7.172390     -4.796818      9.888790
  O      -7.574972     -5.560520     10.737018
  C      -7.172839     -3.270507     10.059730
  O      -6.345218     -2.561543      9.555625
  Cl     -8.467270     -2.674875     11.108921
  C      -4.925272     -5.661199      6.819332
  H      -1.869379     -1.321697      1.560616
  H      -2.616622      1.052304      1.717287
  H      -5.950041     -2.574256      2.249710
  H      -8.604585     -6.299206      3.424244
  H     -10.304459     -5.196723      4.854713
  H      -5.915605     -3.311440      4.439616
  H      -1.527826     -5.551258      7.075272
  H      -2.121603     -5.195570      9.472631
  H      -5.732305     -5.823876      6.103738
  N      -4.372101     -2.931950      4.861041
  N      -4.839527     -1.950505      5.543305
  H      -4.177533     -1.155483      5.574153
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.904785251324
  N      -3.468222     -3.495449      2.119086
  C      -2.554508     -4.091706      1.154218
  C      -2.219344     -5.508288      1.610330
  N      -3.335461     -6.061846      2.418336
  C      -4.538083     -6.404912      1.600247
  C      -5.812169     -6.387126      2.455427
  N      -5.843135     -5.207870      3.312724
  Mo     -4.052725     -4.383829      3.802959
  N      -3.284993     -5.743948      5.023864
  C      -2.297191     -6.703793      4.538750
  C      -2.855112     -7.225264      3.219099
  H      -2.192258     -7.535063      5.253589
  H      -1.298275     -6.251436      4.412089
  H      -3.714700     -7.875446      3.425696
  H      -2.108578     -7.799606      2.646097
  H      -6.676774     -6.376932      1.769616
  H      -5.891884     -7.312041      3.059196
  H      -4.625040     -5.654347      0.804246
  H      -4.403028     -7.394350      1.131299
  H      -1.625345     -3.506945      1.053952
  H      -3.031684     -4.097482      0.156751
  H      -1.334328     -5.493554      2.262130
  H      -1.999358     -6.164689      0.751522
  C      -3.828726     -2.132976      1.971024
  C      -2.896386     -1.099135      1.762806
  C      -3.301028      0.232980      1.866274
  C      -4.617000      0.529258      2.209190
  F      -4.976838      1.827015      2.350959
  C      -5.581493     -0.470415      2.378391
  C      -6.991716     -0.255696      2.814290
  O      -7.861844     -1.081078      2.591447
  C      -7.422352      1.014871      3.597885
  O      -8.381801      1.652376      3.231628
  C      -6.603376      1.361896      4.848707
  O      -5.644091      0.732062      5.211271
  Cl     -7.167227      2.820099      5.667390
  C      -5.171233     -1.793450      2.184779
  C      -7.072241     -4.780417      3.886315
  C      -8.343925     -5.374243      3.951131
  C      -9.311133     -4.758221      4.768964
  C      -9.041605     -3.621220      5.534759
  F     -10.013713     -3.166557      6.359042
  C      -7.777160     -2.992427      5.505053
  C      -7.389072     -1.749229      6.304847
  O      -8.179008     -0.795327      6.264546
  C      -6.091581     -1.568070      7.028668
  O      -4.971083     -2.334699      7.074320
  C      -6.017674     -0.308004      7.773920
  O      -6.827432      0.455665      8.198511
  Cl     -4.179857      0.108109      8.136320
  C      -6.924163     -3.603925      4.616107
  C      -3.581628     -5.669322      6.401904
  C      -2.565601     -5.532081      7.372860
  C      -2.880367     -5.331134      8.710887
  C      -4.217939     -5.250393      9.083647
  F      -4.507720     -5.014174     10.382381
  C      -5.256565     -5.417839      8.161481
  C      -6.684767     -5.295035      8.514848
  O      -7.596010     -5.557657      7.740329
  C      -7.153361     -4.806037      9.900906
  O      -7.552115     -5.581848     10.739297
  C      -7.156304     -3.281054     10.095530
  O      -6.333929     -2.563072      9.598598
  Cl     -8.446902     -2.707057     11.162116
  C      -4.916415     -5.655074      6.817667
  H      -1.848634     -1.325000      1.561938
  H      -2.594079      1.049868      1.718754
  H      -5.930093     -2.574380      2.249050
  H      -8.599036     -6.297834      3.427602
  H     -10.302623     -5.203585      4.860167
  H      -5.920386     -3.300819      4.437446
  H      -1.518426     -5.561769      7.067178
  H      -2.104819     -5.209009      9.467024
  H      -5.726132     -5.809134      6.103098
  N      -4.364983     -2.929194      4.845033
  N      -4.833753     -1.957672      5.530166
  H      -4.183950     -1.154287      5.575474
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.916426822524
  N      -3.452533     -3.496724      2.118543
  C      -2.544292     -4.099468      1.151496
  C      -2.219009     -5.519564      1.606642
  N      -3.339189     -6.068002      2.413859
  C      -4.546551     -6.400337      1.598811
  C      -5.817396     -6.374512      2.458388
  N      -5.843615     -5.193739      3.316168
  Mo     -4.043485     -4.383017      3.798637
  N      -3.278761     -5.745985      5.021321
  C      -2.300143     -6.715011      4.533297
  C      -2.866558     -7.234149      3.215772
  H      -2.198232     -7.545892      5.248984
  H      -1.298373     -6.270526      4.401987
  H      -3.731326     -7.876260      3.425901
  H      -2.126824     -7.816298      2.641798
  H      -6.683925     -6.361419      1.775111
  H      -5.899934     -7.298293      3.063458
  H      -4.630233     -5.648018      0.804056
  H      -4.421256     -7.390039      1.127621
  H      -1.611287     -3.520947      1.050480
  H      -3.023051     -4.100976      0.154821
  H      -1.334173     -5.511703      2.258866
  H      -2.002439     -6.175995      0.747059
  C      -3.811480     -2.132587      1.969403
  C      -2.878003     -1.099803      1.762278
  C      -3.280567      0.232982      1.866094
  C      -4.597315      0.530750      2.204382
  F      -4.956771      1.828673      2.344981
  C      -5.563800     -0.467740      2.368905
  C      -6.977543     -0.248354      2.788272
  O      -7.848132     -1.070593      2.556300
  C      -7.418095      1.025907      3.562413
  O      -8.368186      1.664525      3.175773
  C      -6.626708      1.373492      4.832920
  O      -5.677935      0.742353      5.217573
  Cl     -7.211487      2.830151      5.639241
  C      -5.153964     -1.791767      2.180163
  C      -7.075442     -4.768665      3.887443
  C      -8.342070     -5.372095      3.954555
  C      -9.311593     -4.760802      4.772946
  C      -9.047492     -3.621267      5.536755
  F     -10.021865     -3.173277      6.361280
  C      -7.786431     -2.983979      5.505890
  C      -7.418304     -1.739729      6.312284
  O      -8.228096     -0.801415      6.272419
  C      -6.136329     -1.545974      7.053239
  O      -5.011783     -2.309940      7.057670
  C      -6.066847     -0.297307      7.799995
  O      -6.878351      0.461180      8.230382
  Cl     -4.220590      0.124960      8.167124
  C      -6.931126     -3.591385      4.617384
  C      -3.573147     -5.670383      6.400453
  C      -2.554835     -5.539231      7.369750
  C      -2.865405     -5.340128      8.709171
  C      -4.201923     -5.255817      9.084691
  F      -4.488927     -5.023947     10.384929
  C      -5.242903     -5.415171      8.163604
  C      -6.669568     -5.291432      8.521103
  O      -7.584232     -5.546627      7.748013
  C      -7.134050     -4.819014      9.914113
  O      -7.529332     -5.606502     10.742791
  C      -7.138989     -3.295478     10.131216
  O      -6.321579     -2.568659      9.641075
  Cl     -8.426595     -2.742721     11.213927
  C      -4.906777     -5.648674      6.818550
  H      -1.829846     -1.326931      1.564704
  H      -2.571818      1.048800      1.721491
  H      -5.912693     -2.572624      2.246242
  H      -8.592094     -6.297913      3.432659
  H     -10.300247     -5.211881      4.866390
  H      -5.925941     -3.290452      4.436497
  H      -1.508475     -5.572108      7.061467
  H      -2.087761     -5.223101      9.463901
  H      -5.719021     -5.794087      6.104924
  N      -4.360125     -2.927389      4.830677
  N      -4.828514     -1.965804      5.516341
  H      -4.189803     -1.155421      5.575333
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.928742999484
  N      -3.436511     -3.493986      2.116738
  C      -2.533192     -4.106418      1.145143
  C      -2.216821     -5.532813      1.597919
  N      -3.341282     -6.078108      2.406453
  C      -4.555729     -6.401312      1.593572
  C      -5.824664     -6.365720      2.459652
  N      -5.845160     -5.180507      3.320276
  Mo     -4.034511     -4.380292      3.796662
  N      -3.271415     -5.747744      5.022672
  C      -2.301275     -6.729381      4.529786
  C      -2.875562     -7.247252      3.212062
  H      -2.203069     -7.559788      5.246442
  H      -1.296549     -6.293258      4.393983
  H      -3.745606     -7.880970      3.425838
  H      -2.142522     -7.837619      2.637953
  H      -6.693566     -6.349718      1.779561
  H      -5.909988     -7.287891      3.066643
  H      -4.636286     -5.647517      0.799836
  H      -4.440694     -7.391345      1.120478
  H      -1.596025     -3.534920      1.042559
  H      -3.014546     -4.103399      0.149819
  H      -1.331476     -5.531579      2.249535
  H      -2.004346     -6.188733      0.737015
  C      -3.793927     -2.125871      1.963517
  C      -2.858123     -1.094769      1.758013
  C      -3.256561      0.239230      1.861211
  C      -4.574045      0.540570      2.193612
  F      -4.930940      1.839180      2.333242
  C      -5.544016     -0.455248      2.351943
  C      -6.961198     -0.229297      2.752812
  O      -7.832969     -1.046915      2.509342
  C      -7.409925      1.048325      3.518532
  O      -8.346703      1.692892      3.111078
  C      -6.650130      1.389309      4.812467
  O      -5.716538      0.752192      5.221668
  Cl     -7.254547      2.843499      5.608207
  C      -5.136628     -1.781090      2.168519
  C      -7.081475     -4.757355      3.890676
  C      -8.342102     -5.371833      3.959703
  C      -9.315212     -4.766322      4.777873
  C      -9.059284     -3.623629      5.539579
  F     -10.036881     -3.183191      6.363257
  C      -7.802829     -2.976051      5.508353
  C      -7.454379     -1.730801      6.318809
  O      -8.282671     -0.807613      6.278459
  C      -6.187481     -1.526308      7.077840
  O      -5.062135     -2.285238      7.044646
  C      -6.118818     -0.288618      7.826850
  O      -6.932282      0.465472      8.262158
  Cl     -4.266501      0.136571      8.199239
  C      -6.942420     -3.577837      4.621405
  C      -3.562011     -5.673775      6.405798
  C      -2.540907     -5.549662      7.372845
  C      -2.846885     -5.353563      8.714013
  C      -4.182058     -5.265869      9.093402
  F      -4.465441     -5.039223     10.395347
  C      -5.225936     -5.416710      8.173926
  C      -6.651175     -5.292668      8.535150
  O      -7.568955     -5.540048      7.763097
  C      -7.111152     -4.836778      9.934598
  O      -7.502132     -5.633964     10.755695
  C      -7.118725     -3.314363     10.168930
  O      -6.307594     -2.579470      9.681655
  Cl     -8.402994     -2.779885     11.266050
  C      -4.894343     -5.645554      6.827584
  H      -1.809627     -1.324657      1.565316
  H      -2.544523      1.052717      1.720315
  H      -5.896880     -2.560315      2.235709
  H      -8.585515     -6.300046      3.439348
  H     -10.300433     -5.224383      4.872866
  H      -5.938278     -3.278086      4.439108
  H      -1.495584     -5.585077      7.061402
  H      -2.066730     -5.242020      9.466858
  H      -5.709555     -5.781781      6.115455
  N      -4.361052     -2.921920      4.821157
  N      -4.830533     -1.970060      5.506357
  H      -4.202954     -1.153099      5.579565
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.935394805882
  N      -3.420588     -3.486995      2.112913
  C      -2.520873     -4.112509      1.134444
  C      -2.212297     -5.548600      1.582932
  N      -3.341237     -6.093793      2.394730
  C      -4.565639     -6.409631      1.583537
  C      -5.834521     -6.362417      2.458249
  N      -5.848281     -5.169427      3.324608
  Mo     -4.025887     -4.375627      3.797304
  N      -3.262582     -5.750564      5.028176
  C      -2.299455     -6.747882      4.528134
  C      -2.880947     -7.265708      3.207266
  H      -2.205594     -7.577776      5.245690
  H      -1.292055     -6.319844      4.388275
  H      -3.756059     -7.891132      3.424662
  H      -2.153867     -7.864186      2.634246
  H      -6.706108     -6.343045      1.782037
  H      -5.922600     -7.282276      3.067870
  H      -4.643231     -5.654668      0.790588
  H      -4.461297     -7.400097      1.109274
  H      -1.579487     -3.548448      1.030170
  H      -3.005632     -4.104504      0.141071
  H      -1.325989     -5.553641      2.233183
  H      -2.004266     -6.202830      0.719889
  C      -3.776143     -2.111994      1.952830
  C      -2.836531     -1.083715      1.749641
  C      -3.228501      0.252145      1.851865
  C      -4.546363      0.559436      2.177809
  F      -4.898357      1.859329      2.317099
  C      -5.521495     -0.432068      2.328635
  C      -6.941731     -0.197898      2.710423
  O      -7.815490     -1.009147      2.453010
  C      -7.397372      1.081794      3.470290
  O      -8.318008      1.735845      3.042810
  C      -6.672960      1.410580      4.790399
  O      -5.758553      0.764336      5.226193
  Cl     -7.296599      2.861387      5.576639
  C      -5.118901     -1.760374      2.150216
  C      -7.090894     -4.747613      3.895845
  C      -8.344715     -5.374285      3.966303
  C      -9.322706     -4.775932      4.783732
  C      -9.077530     -3.629755      5.543463
  F     -10.059374     -3.197950      6.365475
  C      -7.826829     -2.970137      5.512673
  C      -7.498169     -1.723914      6.325456
  O      -8.344057     -0.816146      6.283950
  C      -6.245103     -1.508703      7.101841
  O      -5.119817     -2.260046      7.035442
  C      -6.175716     -0.280326      7.853830
  O      -6.992317      0.468743      8.293419
  Cl     -4.320265      0.147703      8.230511
  C      -6.959172     -3.564671      4.628432
  C      -3.548158     -5.680935      6.418358
  C      -2.523961     -5.564479      7.382585
  C      -2.825100     -5.372278      8.725779
  C      -4.158650     -5.281104      9.109862
  F      -4.437811     -5.059619     10.413576
  C      -5.205786     -5.423329      8.192404
  C      -6.629789     -5.298333      8.556514
  O      -7.550337     -5.538148      7.785241
  C      -7.085145     -4.856029      9.961074
  O      -7.472005     -5.659506     10.777663
  C      -7.094622     -3.333834     10.205681
  O      -6.290013     -2.593019      9.717281
  Cl     -8.374440     -2.812071     11.315177
  C      -4.879012     -5.647283      6.844871
  H      -1.787902     -1.318135      1.563005
  H      -2.511562      1.061929      1.715402
  H      -5.882518     -2.536260      2.218084
  H      -8.580062     -6.305005      3.447224
  H     -10.303882     -5.242289      4.879548
  H      -5.957408     -3.264263      4.445610
  H      -1.479822     -5.601700      7.067562
  H      -2.042116     -5.266387      9.476362
  H      -5.697479     -5.773946      6.134636
  N      -4.367834     -2.912182      4.816614
  N      -4.840684     -1.969004      5.500269
  H      -4.225234     -1.145089      5.587295
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.942206656276
  N      -3.404570     -3.480676      2.114614
  C      -2.520389     -4.115872      1.134944
  C      -2.224369     -5.551798      1.584078
  N      -3.351163     -6.090509      2.396313
  C      -4.577020     -6.393629      1.592475
  C      -5.839486     -6.342188      2.468935
  N      -5.848220     -5.152410      3.331539
  Mo     -4.017406     -4.369475      3.796407
  N      -3.256029     -5.743602      5.029535
  C      -2.310917     -6.749546      4.524543
  C      -2.901976     -7.261043      3.209324
  H      -2.222309     -7.579384      5.242401
  H      -1.300825     -6.331010      4.378740
  H      -3.784061     -7.875026      3.430831
  H      -2.183419     -7.869382      2.636284
  H      -6.713331     -6.320218      1.796382
  H      -5.927551     -7.259810      3.080897
  H      -4.651008     -5.635202      0.802617
  H      -4.482347     -7.383471      1.115671
  H      -1.573429     -3.562539      1.026224
  H      -3.011274     -4.104113      0.145107
  H      -1.337024     -5.564179      2.232525
  H      -2.023422     -6.206094      0.719715
  C      -3.756879     -2.109068      1.949954
  C      -2.815208     -1.083216      1.747940
  C      -3.205596      0.252968      1.847263
  C      -4.524917      0.560771      2.166296
  F      -4.877208      1.860665      2.306014
  C      -5.500953     -0.430466      2.313152
  C      -6.924507     -0.191389      2.673051
  O      -7.798596     -1.001717      2.413179
  C      -7.382285      1.099484      3.409901
  O      -8.283642      1.763658      2.958329
  C      -6.686655      1.418901      4.748993
  O      -5.790279      0.761063      5.204067
  Cl     -7.317163      2.871167      5.526019
  C      -5.098797     -1.759610      2.142968
  C      -7.092579     -4.735970      3.901328
  C      -8.338802     -5.376665      3.972710
  C      -9.322603     -4.787861      4.789442
  C      -9.088473     -3.638220      5.546483
  F     -10.074178     -3.214430      6.367848
  C      -7.844446     -2.965802      5.513623
  C      -7.530533     -1.715317      6.323990
  O      -8.385953     -0.816503      6.281616
  C      -6.288608     -1.506699      7.112245
  O      -5.171735     -2.250961      7.028716
  C      -6.213964     -0.283338      7.873029
  O      -7.029194      0.464467      8.317059
  Cl     -4.356826      0.134207      8.258884
  C      -6.968601     -3.552468      4.631324
  C      -3.534997     -5.676957      6.419044
  C      -2.507486     -5.570543      7.379702
  C      -2.805101     -5.382934      8.724716
  C      -4.137282     -5.287539      9.112828
  F      -4.412363     -5.073796     10.418688
  C      -5.187523     -5.417136      8.196580
  C      -6.611217     -5.294135      8.564017
  O      -7.532849     -5.518409      7.789366
  C      -7.064764     -4.883713      9.978755
  O      -7.443867     -5.705124     10.780841
  C      -7.084995     -3.366307     10.251597
  O      -6.292071     -2.609816      9.768891
  Cl     -8.359342     -2.876159     11.381939
  C      -4.864239     -5.633858      6.847075
  H      -1.766006     -1.319927      1.566622
  H      -2.487105      1.061979      1.713920
  H      -5.861411     -2.536349      2.214864
  H      -8.564361     -6.310117      3.454189
  H     -10.299243     -5.263690      4.886311
  H      -5.969603     -3.252376      4.447341
  H      -1.464352     -5.611401      7.061685
  H      -2.019732     -5.284806      9.473980
  H      -5.684434     -5.748453      6.136637
  N      -4.365196     -2.907479      4.811143
  N      -4.841069     -1.972446      5.496152
  H      -4.232156     -1.146259      5.602745
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.948468934268
  N      -3.389985     -3.477483      2.114468
  C      -2.520842     -4.121591      1.135814
  C      -2.237710     -5.554830      1.588791
  N      -3.363752     -6.085424      2.400414
  C      -4.589629     -6.377789      1.603129
  C      -5.844314     -6.324769      2.481244
  N      -5.848033     -5.138492      3.338242
  Mo     -4.010413     -4.364797      3.792779
  N      -3.250747     -5.733706      5.030377
  C      -2.322317     -6.746168      4.521835
  C      -2.923968     -7.253520      3.214311
  H      -2.236090     -7.575615      5.240526
  H      -1.309565     -6.336303      4.367950
  H      -3.811675     -7.857292      3.441742
  H      -2.213890     -7.872036      2.641053
  H      -6.721080     -6.303162      1.812326
  H      -5.930673     -7.241526      3.095356
  H      -4.662129     -5.616482      0.815793
  H      -4.502906     -7.367263      1.123178
  H      -1.567603     -3.579578      1.021801
  H      -3.016106     -4.108426      0.147989
  H      -1.349690     -5.572925      2.236402
  H      -2.041949     -6.210983      0.724236
  C      -3.739508     -2.110827      1.945462
  C      -2.795417     -1.087212      1.742180
  C      -3.181487      0.250518      1.837033
  C      -4.500739      0.562240      2.152282
  F      -4.849854      1.863571      2.290850
  C      -5.479472     -0.426298      2.299707
  C      -6.903112     -0.176985      2.648886
  O      -7.780342     -0.985710      2.394078
  C      -7.359305      1.119892      3.376274
  O      -8.248702      1.791785      2.913732
  C      -6.682007      1.434765      4.727658
  O      -5.792360      0.776413      5.191969
  Cl     -7.324430      2.882580      5.501827
  C      -5.080606     -1.758632      2.136235
  C      -7.092940     -4.728885      3.906575
  C      -8.329119     -5.388043      3.980623
  C      -9.320515     -4.810676      4.795669
  C      -9.100127     -3.655413      5.547379
  F     -10.090146     -3.239881      6.367869
  C      -7.864921     -2.967609      5.511045
  C      -7.570408     -1.712358      6.317553
  O      -8.436381     -0.825548      6.274031
  C      -6.335508     -1.505818      7.115986
  O      -5.224581     -2.243232      7.015762
  C      -6.252462     -0.284344      7.885097
  O      -7.069544      0.459346      8.332532
  Cl     -4.397197      0.131784      8.264858
  C      -6.978169     -3.544225      4.632889
  C      -3.523409     -5.669024      6.417167
  C      -2.493928     -5.571050      7.376215
  C      -2.789597     -5.387801      8.722674
  C      -4.120552     -5.290798      9.113543
  F      -4.393407     -5.084869     10.421413
  C      -5.172652     -5.411199      8.198013
  C      -6.595659     -5.294008      8.569097
  O      -7.519041     -5.506821      7.793321
  C      -7.046025     -4.910383      9.991867
  O      -7.412174     -5.745742     10.784985
  C      -7.079429     -3.396538     10.283965
  O      -6.302745     -2.626671      9.798654
  Cl     -8.342821     -2.933891     11.438321
  C      -4.851604     -5.619205      6.846463
  H      -1.746518     -1.328046      1.564393
  H      -2.460109      1.056970      1.704009
  H      -5.843451     -2.534229      2.215619
  H      -8.541662     -6.325640      3.464370
  H     -10.290983     -5.298520      4.894891
  H      -5.979164     -3.240572      4.446211
  H      -1.451437     -5.614008      7.056613
  H      -2.002831     -5.295565      9.471249
  H      -5.672493     -5.723755      6.135403
  N      -4.362977     -2.900224      4.800926
  N      -4.841864     -1.970167      5.483031
  H      -4.242534     -1.140552      5.606940
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.954187910625
  N      -3.375749     -3.473639      2.117248
  C      -2.520058     -4.124385      1.138106
  C      -2.249430     -5.555482      1.594338
  N      -3.377335     -6.077309      2.404740
  C      -4.602998     -6.359195      1.611052
  C      -5.850071     -6.306935      2.492091
  N      -5.847626     -5.124093      3.345571
  Mo     -4.004569     -4.361022      3.789932
  N      -3.247552     -5.723864      5.030436
  C      -2.333872     -6.742828      4.518022
  C      -2.946561     -7.245993      3.217576
  H      -2.248799     -7.572771      5.236604
  H      -1.318181     -6.342158      4.356294
  H      -3.839179     -7.840542      3.450501
  H      -2.245400     -7.873985      2.642915
  H      -6.730018     -6.286176      1.826791
  H      -5.934646     -7.224816      3.106001
  H      -4.674959     -5.594085      0.827179
  H      -4.522862     -7.347184      1.125557
  H      -1.560615     -3.593619      1.018588
  H      -3.018441     -4.109227      0.151386
  H      -1.361007     -5.579655      2.241477
  H      -2.057835     -6.213890      0.729993
  C      -3.723824     -2.112532      1.947080
  C      -2.778376     -1.089182      1.744595
  C      -3.162261      0.248926      1.835115
  C      -4.482891      0.561170      2.142068
  F      -4.832735      1.863121      2.276539
  C      -5.462848     -0.426437      2.286233
  C      -6.887661     -0.166884      2.614864
  O      -7.769947     -0.969787      2.357945
  C      -7.339225      1.142785      3.319493
  O      -8.205492      1.828888      2.835174
  C      -6.689164      1.448096      4.688654
  O      -5.822237      0.774936      5.173844
  Cl     -7.336008      2.898256      5.453788
  C      -5.065477     -1.760727      2.132371
  C      -7.090868     -4.720434      3.913915
  C      -8.317883     -5.396313      3.990598
  C      -9.315980     -4.830049      4.804280
  C      -9.107527     -3.670019      5.551118
  F     -10.100982     -3.261353      6.371193
  C      -7.880901     -2.968590      5.511843
  C      -7.604437     -1.710255      6.315619
  O      -8.477312     -0.832181      6.272403
  C      -6.372596     -1.510761      7.120642
  O      -5.270910     -2.242715      7.010560
  C      -6.278306     -0.291683      7.901151
  O      -7.097893      0.445515      8.354931
  Cl     -4.429427      0.111633      8.285884
  C      -6.983160     -3.535013      4.637813
  C      -3.514485     -5.660855      6.414477
  C      -2.483200     -5.572848      7.372763
  C      -2.776752     -5.394684      8.720618
  C      -4.106361     -5.294792      9.114157
  F      -4.376580     -5.096436     10.424106
  C      -5.160415     -5.403957      8.199317
  C      -6.582257     -5.289948      8.574274
  O      -7.508055     -5.487502      7.797308
  C      -7.028398     -4.936860     10.005784
  O      -7.385918     -5.787045     10.786633
  C      -7.070083     -3.427256     10.320838
  O      -6.304469     -2.645550      9.837641
  Cl     -8.320905     -2.990660     11.499150
  C      -4.841923     -5.603171      6.845812
  H      -1.729150     -1.332400      1.571900
  H      -2.439425      1.054382      1.704307
  H      -5.827922     -2.536279      2.214937
  H      -8.518540     -6.337099      3.475816
  H     -10.280719     -5.328642      4.905665
  H      -5.985065     -3.227460      4.448746
  H      -1.441280     -5.619160      7.051944
  H      -1.988584     -5.309736      9.468598
  H      -5.663503     -5.696925      6.134208
  N      -4.356149     -2.893007      4.795615
  N      -4.835319     -1.965490      5.473547
  H      -4.243939     -1.133451      5.614879
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.959693252030
  N      -3.364202     -3.472693      2.117498
  C      -2.520159     -4.129912      1.136548
  C      -2.258522     -5.558735      1.597743
  N      -3.389223     -6.071141      2.408477
  C      -4.614131     -6.346836      1.615740
  C      -5.854861     -6.296027      2.500195
  N      -5.847234     -5.113888      3.350195
  Mo     -4.001269     -4.358728      3.784620
  N      -3.246082     -5.712589      5.029775
  C      -2.343611     -6.738577      4.515598
  C      -2.965655     -7.240965      3.221521
  H      -2.258487     -7.567797      5.235294
  H      -1.325624     -6.346034      4.346619
  H      -3.861924     -7.827837      3.459826
  H      -2.272523     -7.877486      2.646045
  H      -6.737906     -6.278403      1.838453
  H      -5.936937     -7.214553      3.114367
  H      -4.686469     -5.579081      0.834391
  H      -4.537526     -7.333273      1.125543
  H      -1.555880     -3.608728      1.010089
  H      -3.021729     -4.114420      0.151051
  H      -1.369685     -5.586653      2.244272
  H      -2.070228     -6.221277      0.735485
  C      -3.711211     -2.115617      1.945827
  C      -2.764316     -1.092670      1.742419
  C      -3.144418      0.246631      1.828726
  C      -4.465051      0.561761      2.131823
  F      -4.812486      1.865063      2.265108
  C      -5.447150     -0.423574      2.276751
  C      -6.871084     -0.154230      2.596890
  O      -7.757561     -0.955668      2.349002
  C      -7.318451      1.162575      3.290447
  O      -8.172653      1.856525      2.796924
  C      -6.683612      1.463797      4.669749
  O      -5.821441      0.790314      5.161377
  Cl     -7.336057      2.913549      5.430293
  C      -5.052895     -1.760023      2.128537
  C      -7.088514     -4.715653      3.919011
  C      -8.306637     -5.407408      3.998762
  C      -9.311585     -4.851238      4.810191
  C      -9.114785     -3.685651      5.550859
  F     -10.111940     -3.282368      6.369683
  C      -7.896719     -2.970976      5.508214
  C      -7.638878     -1.708232      6.308061
  O      -8.516750     -0.837328      6.264855
  C      -6.407820     -1.514281      7.118389
  O      -5.316003     -2.242598      7.003842
  C      -6.302633     -0.296411      7.909932
  O      -7.127122      0.434660      8.366022
  Cl     -4.463531      0.103540      8.288699
  C      -6.987712     -3.528096      4.639475
  C      -3.508186     -5.649468      6.411475
  C      -2.475541     -5.568847      7.369565
  C      -2.766424     -5.394470      8.718597
  C      -4.094662     -5.293503      9.115032
  F      -4.362082     -5.102100     10.427035
  C      -5.150665     -5.394890      8.201483
  C      -6.571175     -5.287283      8.581573
  O      -7.499878     -5.472627      7.804950
  C      -7.013450     -4.962126     10.020681
  O      -7.357453     -5.826314     10.791738
  C      -7.070737     -3.456372     10.355188
  O      -6.323691     -2.659493      9.868518
  Cl     -8.311961     -3.048910     11.554279
  C      -4.834910     -5.586138      6.846130
  H      -1.715370     -1.339362      1.572521
  H      -2.419284      1.050043      1.698217
  H      -5.816015     -2.534236      2.216376
  H      -8.495412     -6.351665      3.486170
  H     -10.270659     -5.360121      4.913969
  H      -5.990364     -3.215107      4.447920
  H      -1.434102     -5.617631      7.047470
  H      -1.976689     -5.314748      9.465539
  H      -5.657373     -5.672251      6.134686
  N      -4.349321     -2.885271      4.787424
  N      -4.826061     -1.956819      5.456752
  H      -4.243145     -1.122322      5.612652
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.965341678663
  N      -3.353531     -3.471090      2.118932
  C      -2.518816     -4.134160      1.133628
  C      -2.264326     -5.563036      1.597979
  N      -3.399356     -6.066778      2.409903
  C      -4.624397     -6.338106      1.615448
  C      -5.860568     -6.288301      2.504434
  N      -5.847306     -5.104916      3.353853
  Mo     -3.999811     -4.356753      3.780478
  N      -3.246061     -5.702949      5.029292
  C      -2.352177     -6.737423      4.513534
  C      -2.982053     -7.239780      3.223437
  H      -2.267225     -7.565792      5.234429
  H      -1.332128     -6.352356      4.339035
  H      -3.881571     -7.819866      3.465753
  H      -2.296246     -7.883601      2.647156
  H      -6.746716     -6.273090      1.846476
  H      -5.940719     -7.207473      3.118360
  H      -4.697019     -5.567595      0.836800
  H      -4.549964     -7.322518      1.120317
  H      -1.550636     -3.621203      1.000801
  H      -3.023503     -4.117049      0.149517
  H      -1.375160     -5.594605      2.243919
  H      -2.079083     -6.229547      0.737997
  C      -3.699415     -2.115647      1.946076
  C      -2.750922     -1.093056      1.743398
  C      -3.127639      0.247181      1.825554
  C      -4.448864      0.564468      2.122059
  F      -4.795062      1.868874      2.252351
  C      -5.433097     -0.419065      2.265028
  C      -6.856807     -0.140832      2.572388
  O      -7.748292     -0.937751      2.326821
  C      -7.299223      1.185663      3.249050
  O      -8.134412      1.890888      2.739906
  C      -6.685635      1.479868      4.641765
  O      -5.841502      0.795379      5.149247
  Cl     -7.346956      2.927736      5.398071
  C      -5.041530     -1.756897      2.123421
  C      -7.086600     -4.710982      3.924491
  C      -8.297517     -5.415442      4.006696
  C      -9.308558     -4.868598      4.816052
  C      -9.121629     -3.698802      5.551657
  F     -10.122136     -3.299818      6.369261
  C      -7.911074     -2.973099      5.506765
  C      -7.670441     -1.707140      6.304160
  O      -8.550409     -0.840405      6.261165
  C      -6.438483     -1.519970      7.119021
  O      -5.358908     -2.246110      7.005582
  C      -6.324662     -0.303825      7.924169
  O      -7.155731      0.418019      8.384754
  Cl     -4.499496      0.087287      8.308727
  C      -6.991414     -3.521278      4.642920
  C      -3.503805     -5.639981      6.410436
  C      -2.469501     -5.566723      7.367993
  C      -2.756657     -5.395935      8.718302
  C      -4.083492     -5.293298      9.118090
  F      -4.347578     -5.107172     10.431969
  C      -5.141749     -5.387166      8.206234
  C      -6.560513     -5.283599      8.591550
  O      -7.492786     -5.455793      7.816001
  C      -6.998351     -4.984402     10.037319
  O      -7.331715     -5.861086     10.798540
  C      -7.067178     -3.482245     10.390185
  O      -6.332426     -2.673042      9.904890
  Cl     -8.292333     -3.101602     11.614475
  C      -4.829470     -5.571406      6.849404
  H      -1.701981     -1.342909      1.577608
  H      -2.400368      1.048884      1.696676
  H      -5.805718     -2.529835      2.213497
  H      -8.476021     -6.362175      3.495346
  H     -10.262752     -5.386184      4.921335
  H      -5.995604     -3.202301      4.449714
  H      -1.428717     -5.618145      7.043999
  H      -1.964943     -5.321241      9.463667
  H      -5.653303     -5.650129      6.138757
  N      -4.341425     -2.877564      4.783449
  N      -4.812549     -1.945920      5.442145
  H      -4.237769     -1.108964      5.611538
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.971493931169
  N      -3.345305     -3.469988      2.118498
  C      -2.517390     -4.139458      1.126176
  C      -2.266643     -5.570657      1.592599
  N      -3.406565     -6.067277      2.407980
  C      -4.633181     -6.338064      1.609746
  C      -5.866907     -6.287858      2.504450
  N      -5.848034     -5.099615      3.355157
  Mo     -4.000696     -4.354883      3.776331
  N      -3.246967     -5.694496      5.029418
  C      -2.358227     -6.739502      4.512961
  C      -2.993575     -7.244211      3.224273
  H      -2.273656     -7.566094      5.236004
  H      -1.336602     -6.360566      4.334597
  H      -3.895731     -7.818659      3.469588
  H      -2.313638     -7.894218      2.648160
  H      -6.756188     -6.275160      1.850605
  H      -5.945166     -7.206593      3.119183
  H      -4.706285     -5.565825      0.832873
  H      -4.559160     -7.320735      1.111132
  H      -1.546665     -3.632691      0.987128
  H      -3.025760     -4.120474      0.143985
  H      -1.376793     -5.604403      2.237404
  H      -2.084236     -6.241267      0.735361
  C      -3.689204     -2.112476      1.942704
  C      -2.738147     -1.091393      1.740803
  C      -3.110021      0.250456      1.819988
  C      -4.430987      0.572010      2.112001
  F      -4.773422      1.877957      2.241517
  C      -5.418779     -0.408471      2.253356
  C      -6.842120     -0.122873      2.552612
  O      -7.737394     -0.917097      2.311232
  C      -7.282037      1.209189      3.219465
  O      -8.103489      1.922457      2.699919
  C      -6.688159      1.496050      4.624279
  O      -5.852691      0.807946      5.141221
  Cl     -7.354765      2.944696      5.374754
  C      -5.031181     -1.747429      2.115468
  C      -7.086451     -4.708747      3.928443
  C      -8.291800     -5.422934      4.012746
  C      -9.308507     -4.884013      4.819737
  C      -9.130017     -3.710505      5.550510
  F     -10.133834     -3.314248      6.366441
  C      -7.925883     -2.975612      5.503724
  C      -7.701003     -1.705730      6.298138
  O      -8.579991     -0.840162      6.254086
  C      -6.467083     -1.523012      7.118945
  O      -5.400618     -2.249627      7.013800
  C      -6.349026     -0.306958      7.937536
  O      -7.189353      0.405624      8.398095
  Cl     -4.541425      0.082195      8.326003
  C      -6.996394     -3.515928      4.644975
  C      -3.500503     -5.631852      6.412457
  C      -2.464024     -5.563950      7.368818
  C      -2.745724     -5.396089      8.720606
  C      -4.070948     -5.293089      9.125023
  F      -4.330597     -5.111529     10.440855
  C      -5.132175     -5.382002      8.216023
  C      -6.548805     -5.283722      8.608050
  O      -7.485556     -5.446472      7.835558
  C      -6.982005     -5.006166     10.059295
  O      -7.301858     -5.893756     10.813318
  C      -7.066896     -3.507139     10.426954
  O      -6.352067     -2.683166      9.936317
  Cl     -8.283510     -3.152935     11.667582
  C      -4.824644     -5.560206      6.857694
  H      -1.689547     -1.345421      1.578488
  H      -2.379587      1.049533      1.692753
  H      -5.797772     -2.517848      2.207729
  H      -8.461394     -6.371766      3.502447
  H     -10.258553     -5.408908      4.925891
  H      -6.002391     -3.189814      4.450842
  H      -1.424146     -5.616925      7.041778
  H      -1.951229     -5.324860      9.463339
  H      -5.650800     -5.633644      6.149180
  N      -4.334484     -2.868693      4.780162
  N      -4.796539     -1.929928      5.424272
  H      -4.230588     -1.089597      5.603616
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.977776491185
  N      -3.338927     -3.469236      2.117614
  C      -2.517385     -4.144185      1.119649
  C      -2.269211     -5.577724      1.587283
  N      -3.412224     -6.068724      2.405088
  C      -4.639027     -6.339676      1.603654
  C      -5.871945     -6.288761      2.501859
  N      -5.849359     -5.097046      3.353821
  Mo     -4.003389     -4.354432      3.771631
  N      -3.248431     -5.687865      5.029304
  C      -2.364232     -6.740962      4.512853
  C      -3.002822     -7.247478      3.224611
  H      -2.280760     -7.565421      5.238228
  H      -1.341677     -6.366307      4.332283
  H      -3.907355     -7.817145      3.471700
  H      -2.327083     -7.901859      2.649006
  H      -6.763520     -6.276784      1.851553
  H      -5.948956     -7.206363      3.117562
  H      -4.711668     -5.565430      0.828837
  H      -4.563963     -7.320600      1.102533
  H      -1.545302     -3.641633      0.975918
  H      -3.029446     -4.123303      0.139772
  H      -1.379290     -5.612672      2.231737
  H      -2.089155     -6.251812      0.732718
  C      -3.679491     -2.108827      1.938445
  C      -2.725839     -1.090213      1.737869
  C      -3.094096      0.253101      1.814880
  C      -4.414722      0.578287      2.103202
  F      -4.754114      1.885386      2.232576
  C      -5.405476     -0.399920      2.243243
  C      -6.828522     -0.110656      2.538487
  O      -7.726149     -0.903931      2.302134
  C      -7.267209      1.226421      3.195229
  O      -8.075881      1.946048      2.664873
  C      -6.690090      1.508492      4.609158
  O      -5.867102      0.813768      5.137274
  Cl     -7.367841      2.953275      5.357608
  C      -5.020725     -1.739364      2.107131
  C      -7.087828     -4.708079      3.930353
  C      -8.290021     -5.427618      4.016078
  C      -9.311838     -4.894508      4.820179
  C      -9.139810     -3.718582      5.547291
  F     -10.146581     -3.323163      6.361281
  C      -7.939808     -2.978062      5.500036
  C      -7.725365     -1.705501      6.292670
  O      -8.598085     -0.835922      6.247276
  C      -6.488719     -1.528682      7.119624
  O      -5.438857     -2.258496      7.031909
  C      -6.373561     -0.310897      7.952778
  O      -7.224414      0.390892      8.412123
  Cl     -4.585531      0.076662      8.352896
  C      -7.002219     -3.512277      4.645324
  C      -3.497884     -5.625255      6.414877
  C      -2.458916     -5.561368      7.368897
  C      -2.735019     -5.395100      8.722123
  C      -4.058907     -5.291139      9.130968
  F      -4.314372     -5.111090     10.448144
  C      -5.123030     -5.376761      8.224821
  C      -6.537743     -5.281176      8.622418
  O      -7.478578     -5.434381      7.852539
  C      -6.967555     -5.020581     10.077544
  O      -7.277263     -5.917211     10.824953
  C      -7.067500     -3.524714     10.457434
  O      -6.365528     -2.688575      9.968504
  Cl     -8.268427     -3.196381     11.719876
  C      -4.820018     -5.551425      6.865415
  H      -1.677521     -1.347677      1.578507
  H      -2.361106      1.050133      1.689305
  H      -5.789222     -2.508051      2.200156
  H      -8.453012     -6.377895      3.506282
  H     -10.258986     -5.424671      4.925823
  H      -6.010681     -3.179404      4.451084
  H      -1.420099     -5.615932      7.038337
  H      -1.937717     -5.326077      9.462053
  H      -5.648429     -5.621205      6.159087
  N      -4.326714     -2.862630      4.777332
  N      -4.776251     -1.914208      5.405510
  H      -4.217991     -1.070708      5.592022
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.984001231759
  N      -3.334001     -3.467800      2.114775
  C      -2.519338     -4.149348      1.113023
  C      -2.273450     -5.585128      1.581497
  N      -3.417347     -6.072300      2.401318
  C      -4.644322     -6.343404      1.598852
  C      -5.877403     -6.290354      2.498818
  N      -5.852188     -5.096153      3.351146
  Mo     -4.006742     -4.354380      3.766620
  N      -3.248496     -5.683045      5.030490
  C      -2.369516     -6.742390      4.513453
  C      -3.010719     -7.250066      3.225348
  H      -2.287609     -7.564846      5.241001
  H      -1.346218     -6.371298      4.330577
  H      -3.917459     -7.815188      3.474541
  H      -2.338090     -7.908137      2.650615
  H      -6.770728     -6.277685      1.851435
  H      -5.953646     -7.206317      3.116196
  H      -4.716153     -5.567161      0.826006
  H      -4.568582     -7.323235      1.096459
  H      -1.546276     -3.650253      0.965231
  H      -3.035372     -4.127472      0.135598
  H      -1.383495     -5.620257      2.225803
  H      -2.095656     -6.261792      0.728845
  C      -3.669615     -2.104032      1.931142
  C      -2.712649     -1.089322      1.731786
  C      -3.077158      0.255631      1.807966
  C      -4.396950      0.585148      2.094109
  F      -4.732608      1.893350      2.224411
  C      -5.391064     -0.390371      2.232903
  C      -6.813778     -0.099021      2.526584
  O      -7.712672     -0.892362      2.294871
  C      -7.252489      1.241081      3.176431
  O      -8.050860      1.964964      2.636517
  C      -6.694381      1.517462      4.599416
  O      -5.878765      0.820720      5.135835
  Cl     -7.378975      2.962010      5.342553
  C      -5.009416     -1.730636      2.096999
  C      -7.091357     -4.707833      3.931337
  C      -8.291702     -5.429933      4.018267
  C      -9.318071     -4.900811      4.819230
  C      -9.151507     -3.723041      5.543172
  F     -10.160828     -3.327040      6.354751
  C      -7.953889     -2.979224      5.495777
  C      -7.745919     -1.704989      6.285750
  O      -8.609265     -0.828569      6.237717
  C      -6.508355     -1.532926      7.121802
  O      -5.475895     -2.268638      7.056027
  C      -6.404425     -0.311681      7.968212
  O      -7.266969      0.378792      8.423023
  Cl     -4.634112      0.080025      8.381321
  C      -7.009720     -3.509035      4.644343
  C      -3.493236     -5.620097      6.418961
  C      -2.451077     -5.559016      7.369170
  C      -2.721237     -5.393706      8.724016
  C      -4.043681     -5.289454      9.137905
  F      -4.294721     -5.110347     10.456243
  C      -5.111076     -5.373206      8.235198
  C      -6.523945     -5.280885      8.638578
  O      -7.468760     -5.426848      7.871748
  C      -6.950836     -5.035863     10.096953
  O      -7.246994     -5.941805     10.838584
  C      -7.069824     -3.544380     10.489848
  O      -6.391144     -2.692322      9.996286
  Cl     -8.264484     -3.244620     11.764966
  C      -4.812951     -5.545057      6.874382
  H      -1.664758     -1.350123      1.574701
  H      -2.341393      1.050428      1.684048
  H      -5.779889     -2.497450      2.190891
  H      -8.449847     -6.381493      3.509077
  H     -10.263061     -5.435027      4.923647
  H      -6.019871     -3.169853      4.449941
  H      -1.413610     -5.614733      7.034345
  H      -1.920879     -5.325972      9.460761
  H      -5.643903     -5.612398      6.170762
  N      -4.318646     -2.857971      4.773069
  N      -4.754414     -1.898745      5.385117
  H      -4.203053     -1.052041      5.576056
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.989780690612
  N      -3.329237     -3.464892      2.110927
  C      -2.523053     -4.154419      1.107451
  C      -2.280425     -5.591485      1.576853
  N      -3.423373     -6.076372      2.398028
  C      -4.650603     -6.346640      1.596884
  C      -5.883916     -6.291099      2.496897
  N      -5.856880     -5.096132      3.348333
  Mo     -4.009979     -4.354735      3.761555
  N      -3.246649     -5.679450      5.033391
  C      -2.374740     -6.743387      4.514249
  C      -3.019209     -7.251002      3.226912
  H      -2.294467     -7.564898      5.242956
  H      -1.350458     -6.376322      4.327957
  H      -3.927992     -7.811565      3.479096
  H      -2.349276     -7.912864      2.653232
  H      -6.778338     -6.277236      1.851292
  H      -5.959722     -7.205811      3.115996
  H      -4.721730     -5.568242      0.826069
  H      -4.575438     -7.325975      1.093596
  H      -1.548480     -3.659614      0.955237
  H      -3.043257     -4.132651      0.132270
  H      -1.390280     -5.626526      2.220974
  H      -2.104865     -6.269503      0.724836
  C      -3.658690     -2.099111      1.922607
  C      -2.697678     -1.088919      1.724462
  C      -3.058095      0.257658      1.800521
  C      -4.376875      0.591900      2.085162
  F      -4.708253      1.901205      2.217306
  C      -5.374651     -0.380371      2.222765
  C      -6.796274     -0.085821      2.516112
  O      -7.697233     -0.878761      2.290581
  C      -7.233127      1.258058      3.158445
  O      -8.018724      1.987624      2.607513
  C      -6.693411      1.530129      4.589308
  O      -5.890779      0.827635      5.137076
  Cl     -7.387807      2.972280      5.328219
  C      -4.996972     -1.722192      2.086462
  C      -7.096280     -4.708795      3.931774
  C      -8.294141     -5.434242      4.019401
  C      -9.325450     -4.909210      4.816620
  C      -9.165661     -3.729352      5.537290
  F     -10.177781     -3.333039      6.345610
  C      -7.970364     -2.982001      5.490444
  C      -7.769275     -1.707777      6.277421
  O      -8.623832     -0.825106      6.225165
  C      -6.533498     -1.539567      7.125640
  O      -5.518121     -2.280905      7.080025
  C      -6.446599     -0.314990      7.984210
  O      -7.321182      0.362331      8.434180
  Cl     -4.689777      0.083865      8.410713
  C      -7.019348     -3.507355      4.642423
  C      -3.485846     -5.615588      6.423705
  C      -2.440261     -5.557468      7.369627
  C      -2.705656     -5.392392      8.725937
  C      -4.026700     -5.286654      9.144229
  F      -4.273918     -5.106865     10.463350
  C      -5.097151     -5.368268      8.244657
  C      -6.508454     -5.277285      8.652247
  O      -7.456401     -5.414665      7.887317
  C      -6.932500     -5.047911     10.113421
  O      -7.217066     -5.962997     10.848483
  C      -7.071288     -3.561212     10.518410
  O      -6.409016     -2.694653     10.028580
  Cl     -8.247343     -3.293520     11.817733
  C      -4.803381     -5.538525      6.882577
  H      -1.650333     -1.352992      1.569342
  H      -2.319337      1.050006      1.678404
  H      -5.769514     -2.486805      2.181469
  H      -8.447080     -6.387239      3.511103
  H     -10.268009     -5.448007      4.919313
  H      -6.030379     -3.161588      4.447673
  H      -1.404158     -5.614811      7.030951
  H      -1.902730     -5.325868      9.459998
  H      -5.636471     -5.603105      6.181315
  N      -4.311635     -2.854802      4.767011
  N      -4.735731     -1.885988      5.365424
  H      -4.190890     -1.036425      5.560429
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.994986182825
  N      -3.325407     -3.460878      2.107082
  C      -2.529719     -4.159123      1.102882
  C      -2.290893     -5.595894      1.574034
  N      -3.431743     -6.079098      2.396583
  C      -4.659326     -6.348040      1.598475
  C      -5.891989     -6.290788      2.497875
  N      -5.863484     -5.096253      3.346960
  Mo     -4.013482     -4.355306      3.756475
  N      -3.243535     -5.675004      5.037322
  C      -2.380201     -6.742268      4.514672
  C      -3.029444     -7.249570      3.229834
  H      -2.300674     -7.563926      5.243452
  H      -1.354795     -6.379987      4.323359
  H      -3.939775     -7.805787      3.486274
  H      -2.362445     -7.915672      2.657201
  H      -6.787013     -6.276578      1.853016
  H      -5.967237     -7.204878      3.118372
  H      -4.730505     -5.567671      0.829504
  H      -4.585697     -7.327188      1.094227
  H      -1.553028     -3.670035      0.944514
  H      -3.054611     -4.138528      0.129937
  H      -1.400108     -5.630887      2.217437
  H      -2.117671     -6.274581      0.721846
  C      -3.647838     -2.095177      1.914589
  C      -2.682111     -1.089458      1.717513
  C      -3.037239      0.258696      1.793872
  C      -4.354808      0.598102      2.077035
  F      -4.681037      1.908789      2.211162
  C      -5.356850     -0.370084      2.213146
  C      -6.776449     -0.069074      2.505306
  O      -7.681952     -0.859092      2.286604
  C      -7.207048      1.281386      3.136199
  O      -7.975675      2.018880      2.571914
  C      -6.689962      1.547577      4.576506
  O      -5.901456      0.838892      5.136265
  Cl     -7.382618      2.996383      5.304260
  C      -4.984732     -1.714085      2.076818
  C      -7.101522     -4.710740      3.933203
  C      -8.295848     -5.441688      4.021606
  C      -9.332453     -4.921209      4.814608
  C      -9.180774     -3.738253      5.530826
  F     -10.196073     -3.341787      6.335066
  C      -7.988525     -2.986147      5.484277
  C      -7.796604     -1.711899      6.267235
  O      -8.644295     -0.824753      6.208881
  C      -6.563519     -1.546429      7.129101
  O      -5.563973     -2.292846      7.099569
  C      -6.494649     -0.318211      7.997568
  O      -7.380717      0.345000      8.443406
  Cl     -4.747183      0.090133      8.433542
  C      -7.029845     -3.506712      4.640569
  C      -3.475534     -5.610022      6.428078
  C      -2.426124     -5.555321      7.369771
  C      -2.686769     -5.391217      8.727553
  C      -4.005943     -5.284542      9.150898
  F      -4.248571     -5.105257     10.471186
  C      -5.079971     -5.363447      8.255183
  C      -6.489380     -5.275201      8.668400
  O      -7.441013     -5.402709      7.906088
  C      -6.908971     -5.065821     10.133284
  O      -7.175417     -5.992015     10.861224
  C      -7.071247     -3.585700     10.553802
  O      -6.442298     -2.699720     10.055742
  Cl     -8.240692     -3.352804     11.866330
  C      -4.791213     -5.531015      6.891284
  H      -1.635506     -1.357325      1.564149
  H      -2.295009      1.048142      1.673707
  H      -5.759864     -2.475848      2.173001
  H      -8.442593     -6.396542      3.514969
  H     -10.272047     -5.465411      4.916020
  H      -6.041572     -3.154035      4.444859
  H      -1.391458     -5.614254      7.027244
  H      -1.881160     -5.326368      9.458871
  H      -5.626646     -5.592707      6.192732
  N      -4.305458     -2.852605      4.758669
  N      -4.720120     -1.874684      5.346068
  H      -4.180374     -1.023097      5.544059
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8050.999633949157
  N      -3.322490     -3.456584      2.104316
  C      -2.537633     -4.163323      1.099387
  C      -2.302036     -5.599043      1.572324
  N      -3.440770     -6.081718      2.395674
  C      -4.668429     -6.349445      1.600341
  C      -5.900495     -6.291859      2.498561
  N      -5.871586     -5.098237      3.345305
  Mo     -4.017962     -4.357218      3.751506
  N      -3.240200     -5.671101      5.041574
  C      -2.385314     -6.740908      4.514684
  C      -3.039693     -7.248026      3.232908
  H      -2.305883     -7.563613      5.242579
  H      -1.358797     -6.383581      4.318045
  H      -3.951099     -7.800540      3.493742
  H      -2.375318     -7.918309      2.661610
  H      -6.795298     -6.278104      1.853126
  H      -5.975269     -7.205954      3.119662
  H      -4.740070     -5.567178      0.833161
  H      -4.596233     -7.328263      1.094742
  H      -1.558751     -3.680407      0.933935
  H      -3.067288     -4.144226      0.128649
  H      -1.410619     -5.633972      2.215025
  H      -2.130348     -6.277548      0.719382
  C      -3.637170     -2.091777      1.908252
  C      -2.666198     -1.090422      1.713042
  C      -3.014805      0.259416      1.789868
  C      -4.331093      0.604774      2.070799
  F      -4.650869      1.917173      2.207365
  C      -5.338179     -0.358554      2.204478
  C      -6.755239     -0.048998      2.495395
  O      -7.666287     -0.835702      2.286456
  C      -7.177582      1.308334      3.115123
  O      -7.926403      2.055948      2.537533
  C      -6.681751      1.568208      4.564039
  O      -5.912815      0.848908      5.136854
  Cl     -7.374564      3.021167      5.283924
  C      -4.972758     -1.705082      2.068246
  C      -7.107356     -4.715423      3.933760
  C      -8.297792     -5.453118      4.021999
  C      -9.340350     -4.937829      4.810022
  C      -9.197910     -3.751437      5.521431
  F     -10.217259     -3.355105      6.320467
  C      -8.009120     -2.993885      5.475971
  C      -7.828644     -1.719441      6.254893
  O      -8.670197     -0.828586      6.188883
  C      -6.599377     -1.556480      7.133387
  O      -5.613675     -2.309373      7.117518
  C      -6.549956     -0.325070      8.010214
  O      -7.447184      0.323882      8.451476
  Cl     -4.809052      0.095234      8.453390
  C      -7.041599     -3.509025      4.637762
  C      -3.464482     -5.604525      6.431881
  C      -2.411538     -5.553729      7.369933
  C      -2.668138     -5.389815      8.728846
  C      -3.985497     -5.280249      9.156469
  F      -4.223745     -5.099233     10.477675
  C      -5.062808     -5.355753      8.264174
  C      -6.470437     -5.266799      8.681679
  O      -7.425342     -5.382094      7.921249
  C      -6.885194     -5.077090     10.149913
  O      -7.137170     -6.013492     10.870032
  C      -7.071137     -3.603063     10.582476
  O      -6.460393     -2.701771     10.089294
  Cl     -8.208311     -3.406597     11.929636
  C      -4.778615     -5.522283      6.899055
  H      -1.620468     -1.362788      1.561822
  H      -2.268436      1.045381      1.672388
  H      -5.751169     -2.463323      2.164993
  H      -8.437421     -6.409862      3.517081
  H     -10.276752     -5.487824      4.909705
  H      -6.054225     -3.148615      4.441552
  H      -1.378170     -5.615086      7.024161
  H      -1.860245     -5.326847      9.457868
  H      -5.616018     -5.580377      6.202732
  N      -4.301442     -2.853013      4.750054
  N      -4.708329     -1.866694      5.329028
  H      -4.171243     -1.014309      5.528672
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.003762429226
  N      -3.320972     -3.452595      2.103304
  C      -2.547426     -4.166944      1.096362
  C      -2.314035     -5.601051      1.571416
  N      -3.451217     -6.082873      2.395877
  C      -4.678954     -6.349744      1.602819
  C      -5.909712     -6.292841      2.500820
  N      -5.880544     -5.099733      3.345331
  Mo     -4.023275     -4.359435      3.746859
  N      -3.237282     -5.665272      5.044943
  C      -2.390290     -6.737751      4.513828
  C      -3.050782     -7.245828      3.236311
  H      -2.309897     -7.561524      5.240774
  H      -1.362829     -6.385538      4.311415
  H      -3.962823     -7.795036      3.501999
  H      -2.389543     -7.920534      2.666173
  H      -6.804188     -6.280602      1.854530
  H      -5.983934     -7.207273      3.121962
  H      -4.751571     -5.566051      0.837040
  H      -4.608077     -7.328028      1.095482
  H      -1.566625     -3.690358      0.922269
  H      -3.082496     -4.149187      0.128248
  H      -1.421730     -5.636169      2.212993
  H      -2.143666     -6.279575      0.717934
  C      -3.627657     -2.089124      1.904645
  C      -2.651199     -1.091999      1.711621
  C      -2.992048      0.259552      1.788527
  C      -4.307116      0.611268      2.065936
  F      -4.619836      1.925591      2.204033
  C      -5.319655     -0.346796      2.196430
  C      -6.733977     -0.027014      2.483914
  O      -7.652072     -0.808294      2.283768
  C      -7.145512      1.339726      3.087036
  O      -7.870064      2.098912      2.493748
  C      -6.675168      1.591126      4.546191
  O      -5.927908      0.859568      5.131827
  Cl     -7.358186      3.055078      5.254165
  C      -4.961772     -1.695622      2.061620
  C      -7.113269     -4.720093      3.935975
  C      -8.299578     -5.465329      4.024231
  C      -9.348010     -4.955282      4.807233
  C      -9.214831     -3.764893      5.513034
  F     -10.238531     -3.368592      6.306622
  C      -8.030086     -3.001470      5.468265
  C      -7.861721     -1.725464      6.242916
  O      -8.697587     -0.831566      6.168174
  C      -6.635957     -1.566061      7.137020
  O      -5.664150     -2.325240      7.132466
  C      -6.601431     -0.331404      8.019182
  O      -7.508011      0.304596      8.457604
  Cl     -4.865718      0.099910      8.465919
  C      -7.053394     -3.511204      4.636307
  C      -3.452512     -5.597159      6.434625
  C      -2.395752     -5.550769      7.369109
  C      -2.646737     -5.388261      8.729334
  C      -3.961674     -5.276752      9.162763
  F      -4.193852     -5.096078     10.485482
  C      -5.043084     -5.348013      8.275011
  C      -6.448249     -5.260084      8.699557
  O      -7.407817     -5.360918      7.942800
  C      -6.856414     -5.095687     10.172228
  O      -7.085723     -6.044647     10.883314
  C      -7.067297     -3.630167     10.622538
  O      -6.501451     -2.708263     10.114295
  Cl     -8.199937     -3.469389     11.979205
  C      -4.764831     -5.511797      6.908177
  H      -1.606529     -1.369910      1.562858
  H      -2.241052      1.041546      1.674014
  H      -5.744026     -2.449920      2.158263
  H      -8.431627     -6.424089      3.521381
  H     -10.281157     -5.511001      4.905802
  H      -6.067829     -3.142881      4.439320
  H      -1.363882     -5.614588      7.019389
  H      -1.835800     -5.327997      9.455268
  H      -5.604901     -5.566187      6.214865
  N      -4.298083     -2.854305      4.741589
  N      -4.697528     -1.860723      5.313823
  H      -4.159435     -1.009175      5.513047
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.007507154639
  N      -3.319969     -3.449716      2.103773
  C      -2.557030     -4.170729      1.093686
  C      -2.324460     -5.603644      1.570150
  N      -3.460816     -6.085383      2.395058
  C      -4.688092     -6.352050      1.602757
  C      -5.918337     -6.296394      2.500283
  N      -5.889928     -5.103342      3.343502
  Mo     -4.029920     -4.363268      3.741984
  N      -3.235230     -5.660206      5.047237
  C      -2.394873     -6.735633      4.512643
  C      -3.060748     -7.245376      3.238840
  H      -2.313517     -7.560147      5.238941
  H      -1.366643     -6.388021      4.305372
  H      -3.973312     -7.791678      3.508742
  H      -2.402200     -7.924204      2.670216
  H      -6.812023     -6.285762      1.852575
  H      -5.992342     -7.211142      3.121132
  H      -4.761419     -5.567053      0.838296
  H      -4.617628     -7.329532      1.093521
  H      -1.575017     -3.699462      0.910903
  H      -3.097782     -4.153741      0.128530
  H      -1.431643     -5.638726      2.211046
  H      -2.154427     -6.281919      0.716209
  C      -3.618012     -2.086477      1.902958
  C      -2.635457     -1.094130      1.713659
  C      -2.967345      0.259458      1.790771
  C      -4.281117      0.618871      2.063654
  F      -4.585214      1.935299      2.203907
  C      -5.300052     -0.333184      2.189600
  C      -6.711953     -0.003469      2.474202
  O      -7.635888     -0.781024      2.284961
  C      -7.114793      1.370348      3.064710
  O      -7.815976      2.140885      2.458234
  C      -6.669635      1.611576      4.533654
  O      -5.942854      0.868216      5.129607
  Cl     -7.344626      3.083854      5.233312
  C      -4.950237     -1.684334      2.055716
  C      -7.120186     -4.727101      3.936110
  C      -8.302717     -5.479433      4.023108
  C      -9.357674     -4.974939      4.800275
  C      -9.234273     -3.780886      5.500838
  F     -10.263274     -3.384829      6.287979
  C      -8.053567     -3.011787      5.457903
  C      -7.898248     -1.733836      6.228952
  O      -8.727760     -0.836716      6.144774
  C      -6.677749     -1.578989      7.141493
  O      -5.717859     -2.347297      7.147720
  C      -6.658303     -0.342321      8.027962
  O      -7.574131      0.281754      8.462162
  Cl     -4.927721      0.101771      8.478507
  C      -7.066777     -3.515798      4.633225
  C      -3.441672     -5.589905      6.436607
  C      -2.381380     -5.547955      7.367566
  C      -2.626693     -5.385206      8.728878
  C      -3.939374     -5.269462      9.167572
  F      -4.165595     -5.086076     10.491301
  C      -5.024587     -5.336663      8.283915
  C      -6.427494     -5.245738      8.713888
  O      -7.391124     -5.331559      7.960232
  C      -6.829771     -5.103078     10.189911
  O      -7.043389     -6.062207     10.892139
  C      -7.067132     -3.644758     10.650992
  O      -6.518224     -2.708940     10.149432
  Cl     -8.153513     -3.519994     12.049306
  C      -4.751932     -5.500165      6.916167
  H      -1.592025     -1.378644      1.568192
  H      -2.210843      1.036687      1.680319
  H      -5.737070     -2.434047      2.151351
  H      -8.426676     -6.439988      3.521894
  H     -10.287719     -5.536180      4.896771
  H      -6.083157     -3.138161      4.436492
  H      -1.351012     -5.615210      7.014011
  H      -1.812798     -5.327390      9.451722
  H      -5.594499     -5.550415      6.225596
  N      -4.297596     -2.857749      4.734403
  N      -4.690174     -1.857863      5.302059
  H      -4.147289     -1.008959      5.499088
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.010980716116
  N      -3.319326     -3.447969      2.105985
  C      -2.567515     -4.174798      1.091090
  C      -2.335166     -5.606731      1.568925
  N      -3.471489     -6.087214      2.394796
  C      -4.698511     -6.353859      1.602781
  C      -5.927735     -6.298911      2.500995
  N      -5.899243     -5.105095      3.343144
  Mo     -4.037184     -4.366718      3.737442
  N      -3.234126     -5.652800      5.048007
  C      -2.399909     -6.732356      4.511157
  C      -3.071829     -7.244928      3.241747
  H      -2.317311     -7.556501      5.237966
  H      -1.371059     -6.389391      4.298979
  H      -3.984934     -7.787960      3.516341
  H      -2.416818     -7.928337      2.674373
  H      -6.821181     -6.289903      1.852669
  H      -6.001727     -7.213705      3.121737
  H      -4.772470     -5.568081      0.839148
  H      -4.628542     -7.330538      1.091747
  H      -1.584893     -3.708339      0.898670
  H      -3.114958     -4.157935      0.129615
  H      -1.441718     -5.641957      2.208900
  H      -2.165733     -6.285603      0.715217
  C      -3.608383     -2.084177      1.903648
  C      -2.619207     -1.097298      1.718348
  C      -2.941320      0.258486      1.794283
  C      -4.253940      0.626395      2.060701
  F      -4.549110      1.944970      2.201241
  C      -5.279637     -0.319215      2.181850
  C      -6.689251      0.020917      2.461543
  O      -7.619319     -0.752173      2.282727
  C      -7.083029      1.403631      3.034409
  O      -7.756396      2.185934      2.411923
  C      -6.664844      1.635667      4.513205
  O      -5.966338      0.876053      5.122042
  Cl     -7.335302      3.114297      5.205173
  C      -4.938297     -1.672599      2.050919
  C      -7.127336     -4.732026      3.938136
  C      -8.306007     -5.491299      4.024187
  C      -9.367325     -4.992277      4.795527
  C      -9.253430     -3.794364      5.490420
  F     -10.287807     -3.398587      6.271211
  C      -8.077171     -3.019523      5.448850
  C      -7.934546     -1.738928      6.216692
  O      -8.757934     -0.838977      6.122798
  C      -6.719651     -1.590833      7.145373
  O      -5.772244     -2.367662      7.160556
  C      -6.709558     -0.352933      8.034616
  O      -7.633003      0.260729      8.466675
  Cl     -4.984742      0.101726      8.486887
  C      -7.080291     -3.518142      4.631936
  C      -3.430784     -5.580087      6.437657
  C      -2.366115     -5.542568      7.364028
  C      -2.603423     -5.380526      8.726807
  C      -3.913228     -5.262291      9.172890
  F      -4.131620     -5.078507     10.498109
  C      -5.003356     -5.325606      8.294838
  C      -6.403164     -5.235158      8.733565
  O      -7.372563     -5.305899      7.985617
  C      -6.797112     -5.119908     10.213874
  O      -6.984630     -6.091476     10.906253
  C      -7.062144     -3.671601     10.691810
  O      -6.561892     -2.716640     10.175616
  Cl     -8.135343     -3.583425     12.103461
  C      -4.738231     -5.486670      6.925553
  H      -1.577243     -1.389535      1.576914
  H      -2.178859      1.030396      1.687867
  H      -5.730160     -2.417320      2.145082
  H      -8.421637     -6.453703      3.524770
  H     -10.294303     -5.558824      4.890410
  H      -6.099468     -3.130633      4.435204
  H      -1.337701     -5.613007      7.005222
  H      -1.785406     -5.325468      9.445204
  H      -5.584374     -5.533224      6.239035
  N      -4.297608     -2.860551      4.728428
  N      -4.683120     -1.855666      5.293262
  H      -4.131210     -1.011534      5.486372
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.014261195066
  N      -3.318599     -3.447556      2.109542
  C      -2.577617     -4.179062      1.088630
  C      -2.344766     -5.610622      1.566903
  N      -3.481550     -6.090030      2.393558
  C      -4.708217     -6.357076      1.601050
  C      -5.936971     -6.302316      2.499905
  N      -5.908325     -5.107238      3.341546
  Mo     -4.045552     -4.370754      3.732715
  N      -3.234134     -5.645213      5.047076
  C      -2.405157     -6.729711      4.509466
  C      -3.082357     -7.245639      3.243974
  H      -2.321784     -7.552485      5.237854
  H      -1.375793     -6.390905      4.293192
  H      -3.996116     -7.785265      3.523014
  H      -2.430817     -7.933523      2.677952
  H      -6.830362     -6.294397      1.851343
  H      -6.011206     -7.216853      3.120802
  H      -4.782439     -5.570717      0.838034
  H      -4.638278     -7.332978      1.088494
  H      -1.595158     -3.716113      0.886860
  H      -3.132346     -4.161608      0.131337
  H      -1.450935     -5.645724      2.206271
  H      -2.175598     -6.290176      0.713651
  C      -3.598147     -2.081876      1.906331
  C      -2.601505     -1.101397      1.726823
  C      -2.913259      0.256716      1.801979
  C      -4.224709      0.634064      2.060663
  F      -4.510191      1.954677      2.201657
  C      -5.257913     -0.304451      2.175131
  C      -6.665905      0.045278      2.448731
  O      -7.600988     -0.723861      2.277486
  C      -7.053309      1.435123      3.006159
  O      -7.699822      2.227759      2.368754
  C      -6.671011      1.654087      4.497015
  O      -5.991710      0.884933      5.115277
  Cl     -7.325148      3.146628      5.175881
  C      -4.925367     -1.660093      2.046782
  C      -7.135305     -4.737153      3.939119
  C      -8.310319     -5.502749      4.023456
  C      -9.378343     -5.009363      4.788505
  C      -9.274154     -3.807903      5.478217
  F     -10.314364     -3.412808      6.252245
  C      -8.102411     -3.027381      5.438616
  C      -7.972133     -1.743932      6.204172
  O      -8.789104     -0.840891      6.100411
  C      -6.764137     -1.604465      7.149464
  O      -5.828387     -2.391424      7.173167
  C      -6.760329     -0.366442      8.040812
  O      -7.690366      0.238526      8.470990
  Cl     -5.041666      0.097560      8.493706
  C      -7.095161     -3.520718      4.629969
  C      -3.421208     -5.569489      6.437758
  C      -2.351656     -5.535551      7.358571
  C      -2.580077     -5.372970      8.722836
  C      -3.886866     -5.252059      9.176952
  F      -4.096712     -5.066554     10.503390
  C      -4.982344     -5.313166      8.305122
  C      -6.379043     -5.223444      8.752905
  O      -7.354310     -5.282105      8.011408
  C      -6.764722     -5.131764     10.236682
  O      -6.928187     -6.113487     10.920644
  C      -7.063270     -3.693500     10.725674
  O      -6.597672     -2.722711     10.206570
  Cl     -8.097298     -3.642519     12.168127
  C      -4.725394     -5.472757      6.934379
  H      -1.561135     -1.402046      1.590575
  H      -2.144246      1.022795      1.700942
  H      -5.722849     -2.399287      2.138209
  H      -8.417319     -6.466842      3.525521
  H     -10.302340     -5.581107      4.881130
  H      -6.117865     -3.121837      4.433951
  H      -1.325456     -5.609081      6.993864
  H      -1.757466     -5.319729      9.436097
  H      -5.575576     -5.516406      6.252555
  N      -4.300146     -2.864322      4.723705
  N      -4.678392     -1.855316      5.287954
  H      -4.112701     -1.018506      5.474945
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.017387079961
  N      -3.317658     -3.448166      2.114138
  C      -2.587530     -4.183831      1.086601
  C      -2.354335     -5.615522      1.564641
  N      -3.491818     -6.093462      2.392153
  C      -4.718361     -6.360932      1.599147
  C      -5.946965     -6.305067      2.498582
  N      -5.917485     -5.108308      3.339814
  Mo     -4.055048     -4.374219      3.728303
  N      -3.235165     -5.636723      5.044986
  C      -2.411145     -6.727091      4.508168
  C      -3.093302     -7.246768      3.246473
  H      -2.327587     -7.547361      5.239331
  H      -1.381353     -6.392200      4.288137
  H      -4.007914     -7.782494      3.530167
  H      -2.445424     -7.939276      2.681901
  H      -6.840610     -6.297475      1.850367
  H      -6.021750     -7.218890      3.120174
  H      -4.792396     -5.574314      0.836380
  H      -4.648608     -7.336344      1.085749
  H      -1.605708     -3.723602      0.875918
  H      -3.150005     -4.165248      0.133902
  H      -1.460311     -5.650399      2.203654
  H      -2.185593     -6.295984      0.712078
  C      -3.586917     -2.079495      1.910092
  C      -2.581718     -1.106829      1.737167
  C      -2.882607      0.253864      1.809964
  C      -4.192846      0.642019      2.058842
  F      -4.467934      1.964725      2.198708
  C      -5.234247     -0.288492      2.166469
  C      -6.640705      0.071225      2.433243
  O      -7.580128     -0.695177      2.272472
  C      -7.023249      1.467474      2.976083
  O      -7.639823      2.270980      2.323079
  C      -6.670040      1.678286      4.475570
  O      -6.025615      0.891059      5.107938
  Cl     -7.331242      3.170401      5.149506
  C      -4.911065     -1.646840      2.042238
  C      -7.144212     -4.740792      3.940158
  C      -8.315687     -5.512229      4.022513
  C      -9.390594     -5.024587      4.780931
  C      -9.296277     -3.819869      5.465839
  F     -10.342459     -3.425932      6.232993
  C      -8.129090     -3.033696      5.428438
  C      -8.010220     -1.747715      6.192664
  O      -8.820961     -0.841603      6.079567
  C      -6.810326     -1.618492      7.153993
  O      -5.885376     -2.416732      7.185593
  C      -6.809536     -0.381207      8.047230
  O      -7.745000      0.216817      8.476020
  Cl     -5.097030      0.090700      8.498803
  C      -7.111485     -3.521929      4.628293
  C      -3.412416     -5.557357      6.437368
  C      -2.336780     -5.525768      7.350827
  C      -2.554742     -5.362311      8.716776
  C      -3.858078     -5.240083      9.180477
  F      -4.058000     -5.052987     10.508142
  C      -4.959870     -5.300698      8.316222
  C      -6.352993     -5.214174      8.774830
  O      -7.334919     -5.263879      8.041392
  C      -6.729096     -5.145888     10.261934
  O      -6.863170     -6.137104     10.938479
  C      -7.062725     -3.719161     10.762550
  O      -6.643021     -2.732242     10.234811
  Cl     -8.064329     -3.705567     12.228320
  C      -4.712670     -5.458538      6.943647
  H      -1.543149     -1.416658      1.607396
  H      -2.106516      1.013478      1.714560
  H      -5.714756     -2.379754      2.130572
  H      -8.413922     -6.477941      3.526005
  H     -10.311573     -5.601559      4.870894
  H      -6.138574     -3.109995      4.433398
  H      -1.313292     -5.601657      6.978917
  H      -1.726693     -5.309899      9.423751
  H      -5.567782     -5.500597      6.267770
  N      -4.305069     -2.868122      4.720159
  N      -4.675734     -1.855721      5.286264
  H      -4.091160     -1.029353      5.464516
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.020381112521
  N      -3.315970     -3.449707      2.119625
  C      -2.596484     -4.188394      1.085105
  C      -2.363704     -5.620540      1.562254
  N      -3.502291     -6.096660      2.390456
  C      -4.728855     -6.364216      1.596920
  C      -5.957368     -6.306658      2.496905
  N      -5.926470     -5.108191      3.337870
  Mo     -4.065394     -4.377338      3.723926
  N      -3.237559     -5.627721      5.041442
  C      -2.418347     -6.724649      4.506581
  C      -3.104990     -7.247996      3.248510
  H      -2.335168     -7.541722      5.241267
  H      -1.388091     -6.393606      4.283086
  H      -4.020652     -7.779488      3.536776
  H      -2.460964     -7.945193      2.685297
  H      -6.851494     -6.298934      1.849413
  H      -6.032825     -7.219757      3.119307
  H      -4.802388     -5.577522      0.834156
  H      -4.659532     -7.339355      1.083008
  H      -1.615392     -3.730503      0.866340
  H      -3.166599     -4.168048      0.137005
  H      -1.469684     -5.655469      2.201208
  H      -2.195510     -6.301968      0.710413
  C      -3.574789     -2.077784      1.916225
  C      -2.560433     -1.113455      1.751704
  C      -2.850658      0.249612      1.823529
  C      -4.159727      0.648354      2.062007
  F      -4.424690      1.972880      2.201265
  C      -5.209451     -0.273996      2.160627
  C      -6.614781      0.095238      2.418276
  O      -7.558787     -0.666274      2.259091
  C      -6.993469      1.497863      2.944788
  O      -7.580248      2.309773      2.275098
  C      -6.688530      1.696030      4.456908
  O      -6.064096      0.902532      5.101327
  Cl     -7.331160      3.204964      5.111767
  C      -4.895846     -1.634875      2.039410
  C      -7.153605     -4.743445      3.940712
  C      -8.321056     -5.521273      4.020694
  C      -9.402999     -5.039857      4.772430
  C      -9.319032     -3.832055      5.453051
  F     -10.371258     -3.440304      6.213526
  C      -8.156929     -3.039552      5.418068
  C      -8.048669     -1.751700      6.182137
  O      -8.854415     -0.843307      6.060771
  C      -6.857209     -1.634680      7.156618
  O      -5.943970     -2.442051      7.194791
  C      -6.853784     -0.399019      8.052657
  O      -7.792880      0.193163      8.482934
  Cl     -5.147341      0.075046      8.502545
  C      -7.129292     -3.522585      4.626466
  C      -3.404950     -5.544148      6.435753
  C      -2.322124     -5.513640      7.340370
  C      -2.528483     -5.348658      8.708030
  C      -3.827914     -5.225750      9.182460
  F      -4.016636     -5.036561     10.511295
  C      -4.936802     -5.287212      8.327015
  C      -6.325902     -5.204942      8.797629
  O      -7.314785     -5.248027      8.073075
  C      -6.691700     -5.158190     10.287677
  O      -6.796549     -6.157503     10.957442
  C      -7.062107     -3.743854     10.798486
  O      -6.687381     -2.742326     10.264212
  Cl     -8.029612     -3.766444     12.286618
  C      -4.700772     -5.443865      6.952389
  H      -1.523693     -1.432359      1.629269
  H      -2.067560      1.002893      1.735292
  H      -5.705897     -2.361358      2.123023
  H      -8.410108     -6.488505      3.525504
  H     -10.320680     -5.622469      4.859495
  H      -6.162113     -3.095741      4.433094
  H      -1.301768     -5.591343      6.960275
  H      -1.694381     -5.296103      9.407841
  H      -5.561479     -5.485507      6.283499
  N      -4.312427     -2.872486      4.717041
  N      -4.675201     -1.857790      5.287116
  H      -4.067630     -1.044993      5.454957
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.023255699060
  N      -3.314447     -3.451183      2.124884
  C      -2.605690     -4.193049      1.083930
  C      -2.373594     -5.625946      1.559654
  N      -3.512591     -6.100867      2.388335
  C      -4.739263     -6.368657      1.594940
  C      -5.968406     -6.308556      2.494528
  N      -5.936425     -5.108483      3.334934
  Mo     -4.077453     -4.379895      3.719791
  N      -3.240309     -5.619213      5.038016
  C      -2.425917     -6.722393      4.505630
  C      -3.116277     -7.249229      3.250692
  H      -2.343742     -7.535975      5.244106
  H      -1.395305     -6.394744      4.278889
  H      -4.032976     -7.776478      3.543519
  H      -2.475530     -7.950817      2.689204
  H      -6.862702     -6.300229      1.847483
  H      -6.044578     -7.220581      3.118199
  H      -4.812056     -5.582128      0.831891
  H      -4.670460     -7.343990      1.081473
  H      -1.625464     -3.737175      0.857736
  H      -3.183514     -4.171022      0.140575
  H      -1.479772     -5.660567      2.198853
  H      -2.205923     -6.307870      0.708201
  C      -3.561956     -2.075576      1.922281
  C      -2.537634     -1.120746      1.766847
  C      -2.817016      0.244825      1.837056
  C      -4.124595      0.655102      2.064273
  F      -4.378717      1.981530      2.202449
  C      -5.183119     -0.258281      2.153842
  C      -6.587085      0.120876      2.402853
  O      -7.534864     -0.637739      2.250569
  C      -6.963450      1.528043      2.916889
  O      -7.518963      2.348576      2.231175
  C      -6.695378      1.720579      4.436579
  O      -6.104985      0.914220      5.096620
  Cl     -7.342945      3.232863      5.079309
  C      -4.879670     -1.622122      2.035900
  C      -7.164248     -4.746228      3.940236
  C      -8.328012     -5.529982      4.017502
  C      -9.417015     -5.054802      4.762526
  C      -9.343703     -3.844386      5.439537
  F     -10.401896     -3.455338      6.193338
  C      -8.186441     -3.045608      5.406948
  C      -8.087112     -1.756269      6.170915
  O      -8.887704     -0.845238      6.042062
  C      -6.904788     -1.650877      7.159272
  O      -6.001883     -2.469767      7.205188
  C      -6.898332     -0.416239      8.058356
  O      -7.840174      0.171957      8.489008
  Cl     -5.196400      0.060273      8.503345
  C      -7.149229     -3.523591      4.623591
  C      -3.397860     -5.530721      6.434383
  C      -2.306807     -5.499245      7.328616
  C      -2.500923     -5.331969      8.697942
  C      -3.796166     -5.210023      9.184005
  F      -3.972879     -5.018170     10.513903
  C      -4.912751     -5.275156      8.338583
  C      -6.297678     -5.199429      8.821883
  O      -7.293506     -5.240747      8.106597
  C      -6.652833     -5.169197     10.314402
  O      -6.725997     -6.173915     10.980327
  C      -7.063301     -3.768247     10.832211
  O      -6.736143     -2.753934     10.291106
  Cl     -7.994232     -3.825098     12.342438
  C      -4.688904     -5.431117      6.961631
  H      -1.502866     -1.448801      1.652553
  H      -2.026724      0.991432      1.756285
  H      -5.696457     -2.341551      2.114643
  H      -8.408254     -6.498682      3.523773
  H     -10.331254     -5.643249      4.846214
  H      -6.188906     -3.078973      4.432551
  H      -1.289980     -5.577353      6.939417
  H      -1.660454     -5.277432      9.389946
  H      -5.555702     -5.474443      6.300722
  N      -4.323492     -2.877756      4.714034
  N      -4.677197     -1.860150      5.289634
  H      -4.042515     -1.064356      5.443425
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.026010740486
  N      -3.312479     -3.452203      2.129934
  C      -2.614891     -4.197093      1.083056
  C      -2.384237     -5.630553      1.557353
  N      -3.523336     -6.104305      2.386482
  C      -4.750283     -6.372155      1.593925
  C      -5.979862     -6.309620      2.492910
  N      -5.947028     -5.108296      3.332420
  Mo     -4.090218     -4.381919      3.715952
  N      -3.243394     -5.611043      5.034863
  C      -2.434218     -6.719988      4.504550
  C      -3.128130     -7.249745      3.252728
  H      -2.353283     -7.530567      5.246335
  H      -1.403161     -6.395916      4.274454
  H      -4.045795     -7.772914      3.549988
  H      -2.490522     -7.955610      2.692948
  H      -6.874089     -6.300992      1.845904
  H      -6.056639     -7.220756      3.117752
  H      -4.822509     -5.586157      0.830197
  H      -4.682457     -7.348047      1.081335
  H      -1.635153     -3.743968      0.849488
  H      -3.200222     -4.173412      0.144314
  H      -1.490495     -5.665197      2.196657
  H      -2.217335     -6.312654      0.705896
  C      -3.548592     -2.073691      1.929693
  C      -2.514524     -1.128085      1.783777
  C      -2.783520      0.239701      1.853311
  C      -4.089535      0.660667      2.069836
  F      -4.333416      1.988846      2.207585
  C      -5.156373     -0.244014      2.149895
  C      -6.558451      0.145415      2.390189
  O      -7.511177     -0.607999      2.240406
  C      -6.930828      1.558131      2.888590
  O      -7.453885      2.385311      2.185320
  C      -6.709259      1.746064      4.416169
  O      -6.149671      0.931950      5.093177
  Cl     -7.350338      3.269986      5.038164
  C      -4.863156     -1.610540      2.034120
  C      -7.174961     -4.749097      3.939747
  C      -8.334460     -5.539798      4.014361
  C      -9.430287     -5.071427      4.753263
  C      -9.368177     -3.858575      5.427000
  F     -10.431998     -3.473304      6.174860
  C      -8.216404     -3.052634      5.396123
  C      -8.125167     -1.762735      6.160059
  O      -8.922043     -0.850053      6.025343
  C      -6.951328     -1.668505      7.159299
  O      -6.060233     -2.495626      7.212333
  C      -6.939311     -0.434798      8.063034
  O      -7.882753      0.148849      8.496941
  Cl     -5.240883      0.039464      8.503671
  C      -7.170293     -3.525155      4.620600
  C      -3.390892     -5.517166      6.432630
  C      -2.291300     -5.483612      7.316121
  C      -2.473411     -5.313664      8.686878
  C      -3.764403     -5.193467      9.184600
  F      -3.928859     -4.998423     10.515485
  C      -4.888737     -5.263607      8.349687
  C      -6.269539     -5.195340      8.845341
  O      -7.271886     -5.238567      8.139047
  C      -6.614232     -5.178882     10.339893
  O      -6.655539     -6.187034     11.003488
  C      -7.063535     -3.791522     10.863076
  O      -6.783025     -2.766904     10.315370
  Cl     -7.961387     -3.878719     12.391975
  C      -4.677173     -5.419310      6.970546
  H      -1.481731     -1.464726      1.677509
  H      -1.986597      0.980076      1.780409
  H      -5.686349     -2.323143      2.107276
  H      -8.405822     -6.509957      3.522338
  H     -10.340583     -5.666346      4.833905
  H      -6.218547     -3.059750      4.432287
  H      -1.278117     -5.561306      6.917674
  H      -1.626787     -5.256115      9.371121
  H      -5.549957     -5.465554      6.317860
  N      -4.336647     -2.883693      4.710809
  N      -4.680174     -1.863197      5.292351
  H      -4.017495     -1.086581      5.431170
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.028659836568
  N      -3.311116     -3.452494      2.134768
  C      -2.624512     -4.200395      1.082834
  C      -2.395257     -5.634464      1.555195
  N      -3.533834     -6.108190      2.384150
  C      -4.760749     -6.376282      1.592617
  C      -5.991331     -6.311974      2.490114
  N      -5.959025     -5.109952      3.328728
  Mo     -4.104656     -4.384296      3.712476
  N      -3.246639     -5.605035      5.032630
  C      -2.442645     -6.718321      4.503436
  C      -3.139392     -7.250263      3.254141
  H      -2.363064     -7.526764      5.247608
  H      -1.411185     -6.397451      4.270298
  H      -4.057822     -7.770037      3.555179
  H      -2.504015     -7.959712      2.696265
  H      -6.884823     -6.303217      1.842231
  H      -6.068588     -7.222350      3.115886
  H      -4.832509     -5.590858      0.828168
  H      -4.693654     -7.352847      1.081169
  H      -1.645116     -3.750210      0.842373
  H      -3.216913     -4.175084      0.148514
  H      -1.501726     -5.669156      2.194779
  H      -2.228732     -6.315778      0.703015
  C      -3.535389     -2.071282      1.937706
  C      -2.491713     -1.134919      1.802141
  C      -2.750123      0.235000      1.871962
  C      -4.054294      0.666711      2.077869
  F      -4.287548      1.996616      2.216068
  C      -5.129536     -0.229046      2.147411
  C      -6.529613      0.170927      2.378642
  O      -7.487129     -0.577601      2.232125
  C      -6.898446      1.588243      2.863305
  O      -7.389178      2.420967      2.143094
  C      -6.722492      1.774347      4.396420
  O      -6.194700      0.953918      5.090759
  Cl     -7.357253      3.310182      4.996273
  C      -4.846706     -1.598232      2.032769
  C      -7.186469     -4.753721      3.937939
  C      -8.342383     -5.550684      4.009699
  C      -9.444725     -5.089087      4.742888
  C      -9.393782     -3.874401      5.413991
  F     -10.462967     -3.493121      6.156174
  C      -8.247141     -3.061686      5.384337
  C      -8.162616     -1.771297      6.147250
  O      -8.955409     -0.856586      6.007142
  C      -6.996776     -1.685331      7.158359
  O      -6.116001     -2.522911      7.220714
  C      -6.981147     -0.451496      8.066672
  O      -7.925978      0.128214      8.502563
  Cl     -5.284676      0.021137      8.502362
  C      -7.192657     -3.528733      4.616174
  C      -3.383956     -5.505488      6.431502
  C      -2.275557     -5.468706      7.303779
  C      -2.445395     -5.295754      8.675814
  C      -3.731923     -5.177886      9.185535
  F      -3.883687     -4.979010     10.517305
  C      -4.864140     -5.254223      8.361769
  C      -6.240634     -5.193453      8.869893
  O      -7.249313     -5.240686      8.172634
  C      -6.574673     -5.185300     10.366226
  O      -6.585598     -6.194155     11.030082
  C      -7.060396     -3.810841     10.891458
  O      -6.825036     -2.779269     10.335972
  Cl     -7.927940     -3.922358     12.436734
  C      -4.665270     -5.410427      6.980452
  H      -1.460953     -1.479951      1.704097
  H      -1.946630      0.969073      1.807678
  H      -5.676279     -2.303931      2.099512
  H      -8.405710     -6.522154      3.519427
  H     -10.351060     -5.690448      4.820241
  H      -6.251275     -3.039007      4.432177
  H      -1.266262     -5.545279      6.895627
  H      -1.592677     -5.234321      9.352139
  H      -5.544136     -5.460443      6.336443
  N      -4.353266     -2.891161      4.707837
  N      -4.684551     -1.866170      5.295091
  H      -3.993020     -1.110923      5.416346
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.031181690413
  N      -3.309790     -3.452240      2.139938
  C      -2.633951     -4.202690      1.083287
  C      -2.406349     -5.637105      1.553668
  N      -3.544701     -6.111025      2.382053
  C      -4.771402     -6.379416      1.591209
  C      -6.002854     -6.314333      2.487087
  N      -5.971907     -5.111971      3.324984
  Mo     -4.119865     -4.387008      3.709325
  N      -3.250820     -5.600152      5.030963
  C      -2.451848     -6.716918      4.501885
  C      -3.151168     -7.250519      3.255019
  H      -2.373384     -7.524271      5.247436
  H      -1.419817     -6.399464      4.265893
  H      -4.070174     -7.767615      3.559096
  H      -2.517644     -7.963204      2.698959
  H      -6.895176     -6.306065      1.837521
  H      -6.080753     -7.224441      3.113208
  H      -4.842841     -5.594874      0.825718
  H      -4.705086     -7.356701      1.080753
  H      -1.654463     -3.756220      0.835947
  H      -3.232782     -4.175544      0.152949
  H      -1.512951     -5.672462      2.193416
  H      -2.239971     -6.317161      0.700326
  C      -3.522193     -2.069136      1.947472
  C      -2.469479     -1.141303      1.822501
  C      -2.717137      0.230530      1.893245
  C      -4.019388      0.672562      2.088898
  F      -4.242044      2.004114      2.228299
  C      -5.102718     -0.214387      2.147693
  C      -6.500341      0.196782      2.369763
  O      -7.463451     -0.545608      2.225699
  C      -6.863907      1.619576      2.838435
  O      -7.318770      2.457653      2.100722
  C      -6.734272      1.806321      4.375646
  O      -6.245152      0.977988      5.088496
  Cl     -7.363090      3.354250      4.951670
  C      -4.830334     -1.585928      2.033461
  C      -7.198181     -4.759456      3.935256
  C      -8.349989     -5.563600      4.003769
  C      -9.458816     -5.109607      4.731532
  C      -9.419669     -3.893318      5.400457
  F     -10.494091     -3.517135      6.137542
  C      -8.278862     -3.073122      5.371845
  C      -8.200936     -1.783318      6.133943
  O      -8.991208     -0.867580      5.989977
  C      -7.041736     -1.704050      7.153467
  O      -6.173344     -2.546870      7.224619
  C      -7.021834     -0.470903      8.067807
  O      -7.967702      0.103702      8.507818
  Cl     -5.327052      0.000094      8.497300
  C      -7.216195     -3.533916      4.610975
  C      -3.377450     -5.494909      6.430284
  C      -2.260573     -5.454723      7.291878
  C      -2.418204     -5.278625      8.664947
  C      -3.700118     -5.162542      9.186473
  F      -3.839279     -4.959956     10.519088
  C      -4.839967     -5.244606      8.373901
  C      -6.211843     -5.190162      8.894508
  O      -7.226625     -5.243122      8.206400
  C      -6.534648     -5.188214     10.392620
  O      -6.517542     -6.196256     11.057671
  C      -7.052841     -3.825596     10.918158
  O      -6.855507     -2.789638     10.356220
  Cl     -7.889376     -3.955039     12.479862
  C      -4.653764     -5.402153      6.990740
  H      -1.440873     -1.494721      1.732323
  H      -1.907333      0.958362      1.837741
  H      -5.665997     -2.284953      2.092991
  H      -8.404948     -6.536176      3.515000
  H     -10.360797     -5.717900      4.805589
  H      -6.287688     -3.016540      4.432836
  H      -1.255196     -5.530377      6.874171
  H      -1.559653     -5.213525      9.333541
  H      -5.538522     -5.455880      6.355365
  N      -4.372083     -2.899555      4.705026
  N      -4.689611     -1.870428      5.296915
  H      -3.971461     -1.136979      5.401951
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.033541486338
  N      -3.309920     -3.451576      2.145940
  C      -2.644693     -4.204116      1.084476
  C      -2.417567     -5.639179      1.551816
  N      -3.555044     -6.114727      2.379218
  C      -4.781092     -6.384024      1.588738
  C      -6.014097     -6.319178      2.482369
  N      -5.985853     -5.116875      3.319936
  Mo     -4.136557     -4.391086      3.706812
  N      -3.254881     -5.598130      5.030041
  C      -2.460328     -6.716812      4.500009
  C      -3.161602     -7.251452      3.254849
  H      -2.382646     -7.523916      5.245988
  H      -1.427858     -6.402074      4.261739
  H      -4.080878     -7.766862      3.561124
  H      -2.528993     -7.966363      2.700485
  H      -6.904794     -6.311439      1.830567
  H      -6.092497     -7.229091      3.108507
  H      -4.852397     -5.600164      0.822466
  H      -4.714694     -7.361772      1.079096
  H      -1.665492     -3.760775      0.830312
  H      -3.249996     -4.174817      0.158317
  H      -1.524293     -5.675136      2.191663
  H      -2.250914     -6.316969      0.696655
  C      -3.509824     -2.066244      1.958567
  C      -2.448139     -1.147250      1.845216
  C      -2.684311      0.226470      1.917750
  C      -3.984296      0.679363      2.103153
  F      -4.195583      2.012438      2.244638
  C      -5.075918     -0.198474      2.150448
  C      -6.471291      0.223246      2.363396
  O      -7.439459     -0.513452      2.221158
  C      -6.830639      1.651352      2.815276
  O      -7.253123      2.491544      2.060527
  C      -6.750830      1.839986      4.354836
  O      -6.293703      1.008911      5.085089
  Cl     -7.369109      3.402466      4.904513
  C      -4.814200     -1.572123      2.035457
  C      -7.210437     -4.767337      3.931894
  C      -8.359598     -5.576723      3.997061
  C      -9.474543     -5.129970      4.719678
  C      -9.446500     -3.912659      5.386914
  F     -10.525958     -3.540902      6.118768
  C      -8.310543     -3.086301      5.358851
  C      -8.237813     -1.795922      6.118024
  O      -9.024171     -0.878197      5.969537
  C      -7.084298     -1.718550      7.148600
  O      -6.224754     -2.571866      7.232181
  C      -7.064821     -0.484722      8.066437
  O      -8.012508      0.083795      8.509556
  Cl     -5.371040     -0.012735      8.492196
  C      -7.239798     -3.541135      4.605058
  C      -3.370505     -5.487475      6.429762
  C      -2.245445     -5.443179      7.280692
  C      -2.390651     -5.263842      8.654675
  C      -3.667956     -5.150032      9.187983
  F      -3.794888     -4.943403     10.521217
  C      -4.815209     -5.238769      8.386584
  C      -6.182231     -5.190633      8.919833
  O      -7.203269     -5.251416      8.241505
  C      -6.493120     -5.189073     10.419899
  O      -6.447825     -6.193295     11.089460
  C      -7.039904     -3.836411     10.942162
  O      -6.882627     -2.800035     10.368858
  Cl     -7.850538     -3.976804     12.517368
  C      -4.641606     -5.398036      7.001798
  H      -1.421927     -1.509492      1.762977
  H      -1.867909      0.947540      1.871695
  H      -5.656001     -2.264323      2.087314
  H      -8.407305     -6.550143      3.509485
  H     -10.372552     -5.744564      4.790002
  H      -6.326084     -2.993226      4.435304
  H      -1.244084     -5.517307      6.853248
  H      -1.526367     -5.194509      9.315428
  H      -5.532184     -5.455926      6.375102
  N      -4.393444     -2.909289      4.703279
  N      -4.694647     -1.873500      5.298497
  H      -3.950919     -1.162611      5.385124
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.035705844105
  N      -3.310998     -3.451449      2.152748
  C      -2.656732     -4.205188      1.085493
  C      -2.429100     -5.640492      1.549769
  N      -3.565831     -6.117467      2.376911
  C      -4.791388     -6.388565      1.586670
  C      -6.025238     -6.324837      2.478903
  N      -5.999657     -5.122277      3.316091
  Mo     -4.153108     -4.396183      3.704484
  N      -3.259452     -5.596102      5.028739
  C      -2.468540     -6.716491      4.497392
  C      -3.172003     -7.252453      3.254383
  H      -2.390787     -7.523748      5.243411
  H      -1.435579     -6.404533      4.256844
  H      -4.091178     -7.766907      3.562681
  H      -2.540418     -7.969344      2.701222
  H      -6.914575     -6.318553      1.825047
  H      -6.103975     -7.234829      3.104849
  H      -4.863193     -5.605986      0.819065
  H      -4.724604     -7.366808      1.077774
  H      -1.678101     -3.764913      0.823365
  H      -3.268920     -4.173656      0.163785
  H      -1.535358     -5.677305      2.188883
  H      -2.262467     -6.316202      0.692823
  C      -3.498302     -2.064386      1.971025
  C      -2.428067     -1.153703      1.868633
  C      -2.651950      0.221835      1.942592
  C      -3.949273      0.686131      2.118312
  F      -4.148621      2.020697      2.261872
  C      -5.049123     -0.182119      2.155111
  C      -6.441607      0.251409      2.360022
  O      -7.415301     -0.479516      2.223514
  C      -6.795288      1.685342      2.795015
  O      -7.180410      2.529206      2.024389
  C      -6.759859      1.877902      4.335447
  O      -6.342533      1.040718      5.081982
  Cl     -7.367927      3.453503      4.860702
  C      -4.798593     -1.557915      2.039535
  C      -7.222186     -4.776385      3.929646
  C      -8.367643     -5.592328      3.991773
  C      -9.488859     -5.154028      4.709333
  C      -9.472809     -3.935422      5.374569
  F     -10.557255     -3.569292      6.101764
  C      -8.342879     -3.101782      5.346655
  C      -8.276149     -1.811465      6.103114
  O      -9.060929     -0.893270      5.951915
  C      -7.126326     -1.734037      7.139480
  O      -6.277285     -2.590605      7.233831
  C      -7.106893     -0.500995      8.061010
  O      -8.056794      0.059513      8.509361
  Cl     -5.415314     -0.021472      8.477384
  C      -7.263629     -3.549588      4.600201
  C      -3.362945     -5.479879      6.428373
  C      -2.230492     -5.430979      7.269544
  C      -2.363712     -5.247604      8.644117
  C      -3.636455     -5.135644      9.188684
  F      -3.751512     -4.924771     10.522314
  C      -4.790726     -5.231390      8.398045
  C      -6.153065     -5.190375      8.943435
  O      -7.179836     -5.262726      8.274774
  C      -6.452114     -5.188071     10.445649
  O      -6.381062     -6.187491     11.120069
  C      -7.030490     -3.846069     10.961868
  O      -6.907087     -2.810426     10.379152
  Cl     -7.815741     -3.994003     12.549936
  C      -4.628987     -5.393177      7.012172
  H      -1.404637     -1.525463      1.793619
  H      -1.828751      0.935600      1.905186
  H      -5.646573     -2.243051      2.084044
  H      -8.406875     -6.566483      3.505162
  H     -10.382281     -5.775659      4.776337
  H      -6.367464     -2.969003      4.440224
  H      -1.232929     -5.503807      6.833021
  H      -1.493951     -5.173853      9.297171
  H      -5.524942     -5.455800      6.393653
  N      -4.414942     -2.919303      4.701348
  N      -4.698901     -1.877905      5.298015
  H      -3.934014     -1.187600      5.369722
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.037647776716
  N      -3.313303     -3.451442      2.161536
  C      -2.670284     -4.205296      1.087102
  C      -2.440651     -5.641447      1.546671
  N      -3.576162     -6.120945      2.373614
  C      -4.801114     -6.394325      1.583242
  C      -6.036281     -6.332298      2.473930
  N      -6.013550     -5.129661      3.311397
  Mo     -4.170141     -4.403127      3.702791
  N      -3.264075     -5.596500      5.026855
  C      -2.475910     -6.717879      4.493789
  C      -3.181212     -7.254551      3.252256
  H      -2.397889     -7.525625      5.239416
  H      -1.442538     -6.408015      4.251757
  H      -4.100123     -7.768679      3.561988
  H      -2.550296     -7.972547      2.699684
  H      -6.924298     -6.326997      1.818189
  H      -6.115321     -7.242485      3.099356
  H      -4.873578     -5.612667      0.814711
  H      -4.733030     -7.372695      1.074725
  H      -1.693112     -3.766686      0.816683
  H      -3.290168     -4.170839      0.170605
  H      -1.546245     -5.679169      2.184733
  H      -2.274122     -6.314363      0.687455
  C      -3.486869     -2.062140      1.985877
  C      -2.407660     -1.160776      1.895335
  C      -2.618613      0.216524      1.971020
  C      -3.912997      0.692863      2.136877
  F      -4.099967      2.028688      2.282641
  C      -5.021143     -0.165534      2.163158
  C      -6.410816      0.278543      2.361150
  O      -7.389795     -0.446523      2.229075
  C      -6.758849      1.719176      2.774777
  O      -7.109983      2.562779      1.987667
  C      -6.774626      1.916180      4.314768
  O      -6.393304      1.076460      5.077438
  Cl     -7.374800      3.504100      4.813585
  C      -4.782285     -1.543079      2.046328
  C      -7.234110     -4.786555      3.927580
  C      -8.376949     -5.607436      3.986278
  C      -9.504471     -5.177766      4.698579
  C      -9.500050     -3.958413      5.362366
  F     -10.589560     -3.597584      6.084496
  C      -8.375494     -3.118521      5.335006
  C      -8.313995     -1.827583      6.087870
  O      -9.096278     -0.908152      5.933781
  C      -7.166676     -1.746660      7.131027
  O      -6.325122     -2.609698      7.238893
  C      -7.152285     -0.513628      8.053270
  O      -8.105547      0.035578      8.508225
  Cl     -5.463619     -0.023175      8.464327
  C      -7.287119     -3.559092      4.596042
  C      -3.354728     -5.474783      6.426694
  C      -2.215339     -5.421310      7.258099
  C      -2.336819     -5.233512      8.633163
  C      -3.605036     -5.122528      9.188668
  F      -3.708523     -4.906477     10.522271
  C      -4.766062     -5.224836      8.408343
  C      -6.123921     -5.189639      8.965014
  O      -7.155911     -5.273097      8.305647
  C      -6.412363     -5.184167     10.469334
  O      -6.315293     -6.177038     11.150075
  C      -7.015155     -3.850443     10.979720
  O      -6.923931     -2.817907     10.385788
  Cl     -7.776900     -4.001026     12.579377
  C      -4.615664     -5.390138      7.021762
  H      -1.387412     -1.542791      1.827552
  H      -1.788293      0.922370      1.942547
  H      -5.636550     -2.220864      2.083743
  H      -8.407968     -6.581917      3.499878
  H     -10.393556     -5.806007      4.761455
  H      -6.410135     -2.945262      4.448696
  H      -1.221523     -5.493348      6.812867
  H      -1.461659     -5.155569      9.278451
  H      -5.516703     -5.457296      6.411024
  N      -4.436749     -2.930416      4.701234
  N      -4.702109     -1.882387      5.298166
  H      -3.918799     -1.211225      5.355668
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.039422591973
  N      -3.317223     -3.452117      2.171540
  C      -2.684777     -4.204429      1.088805
  C      -2.451562     -5.641545      1.542564
  N      -3.585736     -6.124242      2.369685
  C      -4.810287     -6.400101      1.578838
  C      -6.046848     -6.340487      2.468249
  N      -6.026925     -5.137895      3.306833
  Mo     -4.186160     -4.411352      3.701660
  N      -3.269292     -5.598606      5.023560
  C      -2.482428     -6.720636      4.488890
  C      -3.189094     -7.257471      3.248326
  H      -2.403843     -7.528938      5.233994
  H      -1.448786     -6.411923      4.246065
  H      -4.107570     -7.771816      3.559113
  H      -2.558801     -7.975795      2.695401
  H      -6.933866     -6.336122      1.811081
  H      -6.125781     -7.251285      3.092697
  H      -4.883704     -5.618928      0.809854
  H      -4.740149     -7.378225      1.070110
  H      -1.710036     -3.765588      0.810032
  H      -3.312927     -4.167107      0.178025
  H      -1.556247     -5.679957      2.179256
  H      -2.285242     -6.311468      0.680939
  C      -3.477197     -2.060189      2.001800
  C      -2.388960     -1.168509      1.921948
  C      -2.586373      0.210560      1.998406
  C      -3.877105      0.699843      2.154703
  F      -4.051096      2.037055      2.300963
  C      -4.993680     -0.147898      2.172130
  C      -6.379890      0.308383      2.364207
  O      -7.364418     -0.411291      2.242955
  C      -6.720751      1.755151      2.760595
  O      -7.036216      2.600507      1.960369
  C      -6.774979      1.958072      4.298958
  O      -6.427050      1.115546      5.074047
  Cl     -7.362308      3.557843      4.776254
  C      -4.767424     -1.527758      2.055264
  C      -7.247113     -4.798630      3.925931
  C      -8.386063     -5.626118      3.980283
  C      -9.520783     -5.207826      4.687085
  C      -9.529742     -3.988663      5.350687
  F     -10.624811     -3.635702      6.068123
  C      -8.411641     -3.141337      5.325712
  C      -8.356858     -1.851453      6.077413
  O      -9.138699     -0.932228      5.921578
  C      -7.208604     -1.761899      7.122347
  O      -6.369199     -2.624557      7.247095
  C      -7.207272     -0.524509      8.037403
  O      -8.167304      0.010360      8.495324
  Cl     -5.525384     -0.002186      8.432968
  C      -7.313382     -3.571370      4.594104
  C      -3.347093     -5.471711      6.423764
  C      -2.200980     -5.413853      7.245321
  C      -2.310715     -5.220496      8.620609
  C      -3.574051     -5.108861      9.186851
  F      -3.665670     -4.886737     10.520118
  C      -4.741847     -5.217278      8.417069
  C      -6.094884     -5.186153      8.985664
  O      -7.132395     -5.282194      8.336641
  C      -6.370811     -5.173492     10.492448
  O      -6.253264     -6.159466     11.179848
  C      -6.998069     -3.847878     10.995362
  O      -6.933842     -2.818996     10.391752
  Cl     -7.737525     -3.998583     12.605583
  C      -4.603058     -5.387436      7.029855
  H      -1.372273     -1.561155      1.860614
  H      -1.748656      0.907891      1.977499
  H      -5.628352     -2.197407      2.087190
  H      -8.406906     -6.600346      3.492819
  H     -10.404536     -5.844056      4.744844
  H      -6.455909     -2.926513      4.459763
  H      -1.210857     -5.486062      6.791828
  H      -1.429998     -5.138671      9.257830
  H      -5.509087     -5.458440      6.426819
  N      -4.454820     -2.942887      4.702635
  N      -4.700899     -1.891596      5.304113
  H      -3.905408     -1.234059      5.354146
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.040911902810
  N      -3.318581     -3.453544      2.183917
  C      -2.697417     -4.203367      1.091866
  C      -2.462386     -5.642141      1.538444
  N      -3.596043     -6.126974      2.365545
  C      -4.820662     -6.402761      1.573897
  C      -6.058620     -6.343944      2.461895
  N      -6.039440     -5.141926      3.302339
  Mo     -4.199724     -4.419723      3.701466
  N      -3.275645     -5.602913      5.019413
  C      -2.490971     -6.726448      4.483185
  C      -3.199397     -7.261410      3.242934
  H      -2.413286     -7.535557      5.227573
  H      -1.456662     -6.419729      4.240374
  H      -4.118243     -7.774858      3.554253
  H      -2.570867     -7.980356      2.688802
  H      -6.944629     -6.338581      1.803376
  H      -6.138870     -7.255658      3.084781
  H      -4.893607     -5.621400      0.805029
  H      -4.749724     -7.380404      1.064403
  H      -1.725109     -3.764307      0.805196
  H      -3.334105     -4.161760      0.187213
  H      -1.566248     -5.682979      2.173778
  H      -2.297447     -6.308824      0.674060
  C      -3.463545     -2.058789      2.021182
  C      -2.365704     -1.177936      1.953138
  C      -2.549637      0.202848      2.030789
  C      -3.836845      0.705460      2.175715
  F      -3.997761      2.044035      2.321332
  C      -4.962011     -0.131276      2.182292
  C      -6.345821      0.336046      2.363870
  O      -7.335003     -0.377221      2.240388
  C      -6.683622      1.789297      2.736249
  O      -6.963944      2.631356      1.919633
  C      -6.806456      1.997293      4.270166
  O      -6.495399      1.156730      5.062876
  Cl     -7.395378      3.605942      4.715598
  C      -4.748264     -1.513169      2.066468
  C      -7.259316     -4.805427      3.924104
  C      -8.394720     -5.638884      3.972696
  C      -9.536748     -5.232039      4.673592
  C      -9.558479     -4.013847      5.338406
  F     -10.659256     -3.668609      6.050581
  C      -8.446229     -3.159918      5.317990
  C      -8.397276     -1.871965      6.070629
  O      -9.179979     -0.953315      5.916324
  C      -7.247181     -1.776747      7.115426
  O      -6.409316     -2.636733      7.255724
  C      -7.258885     -0.535485      8.023848
  O      -8.224605     -0.022288      8.494747
  Cl     -5.584304      0.010622      8.414156
  C      -7.337613     -3.579260      4.594047
  C      -3.340339     -5.471170      6.420034
  C      -2.187375     -5.410850      7.231410
  C      -2.285000     -5.211997      8.606860
  C      -3.543041     -5.098169      9.183984
  F      -3.622203     -4.870575     10.516949
  C      -4.717797     -5.210627      8.424999
  C      -6.065571     -5.182549      9.006260
  O      -7.108811     -5.289930      8.368443
  C      -6.328001     -5.163235     10.515624
  O      -6.186427     -6.141469     11.209495
  C      -6.967580     -3.842237     11.016688
  O      -6.934863     -2.819209     10.400739
  Cl     -7.691362     -3.993292     12.634075
  C      -4.591170     -5.385144      7.037057
  H      -1.352826     -1.581511      1.899283
  H      -1.704509      0.891402      2.018635
  H      -5.616013     -2.174298      2.091916
  H      -8.405586     -6.612186      3.483072
  H     -10.415557     -5.875638      4.724819
  H      -6.497199     -2.908349      4.473890
  H      -1.201085     -5.484960      6.769870
  H      -1.398476     -5.127950      9.235704
  H      -5.502264     -5.458487      6.441834
  N      -4.466299     -2.955015      4.706576
  N      -4.693239     -1.904325      5.316045
  H      -3.889917     -1.256659      5.365190
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.042072129253
  N      -3.322429     -3.455734      2.194893
  C      -2.711570     -4.202396      1.093930
  C      -2.472841     -5.642323      1.533815
  N      -3.605090     -6.130442      2.360946
  C      -4.829061     -6.407841      1.568427
  C      -6.068925     -6.350243      2.454211
  N      -6.052417     -5.148335      3.295551
  Mo     -4.214271     -4.428707      3.699892
  N      -3.282780     -5.606314      5.014544
  C      -2.498417     -6.730453      4.478130
  C      -3.207075     -7.264855      3.237734
  H      -2.421336     -7.539588      5.222519
  H      -1.463854     -6.424039      4.235977
  H      -4.125774     -7.778438      3.549433
  H      -2.579029     -7.983584      2.682852
  H      -6.953544     -6.345094      1.793937
  H      -6.149513     -7.262417      3.076226
  H      -4.901953     -5.626736      0.799292
  H      -4.755932     -7.385299      1.059088
  H      -1.742651     -3.761257      0.799571
  H      -3.357017     -4.157839      0.195696
  H      -1.576016     -5.683917      2.168071
  H      -2.308524     -6.306009      0.667095
  C      -3.453130     -2.058360      2.038265
  C      -2.345827     -1.188803      1.980726
  C      -2.515992      0.193601      2.058480
  C      -3.798850      0.709783      2.193740
  F      -3.946246      2.049544      2.339168
  C      -4.932466     -0.115611      2.191928
  C      -6.312353      0.363589      2.368340
  O      -7.307090     -0.343963      2.255487
  C      -6.643625      1.819923      2.731254
  O      -6.883035      2.668391      1.908197
  C      -6.797214      2.028772      4.262017
  O      -6.526690      1.179481      5.059921
  Cl     -7.388562      3.640113      4.695365
  C      -4.732018     -1.499727      2.076976
  C      -7.272759     -4.815797      3.919056
  C      -8.403509     -5.656698      3.961099
  C      -9.554041     -5.262846      4.654621
  C      -9.590991     -4.045723      5.320221
  F     -10.698948     -3.709388      6.025158
  C      -8.485589     -3.183757      5.306199
  C      -8.446964     -1.897090      6.059887
  O      -9.233756     -0.981694      5.907814
  C      -7.296087     -1.793208      7.106279
  O      -6.455294     -2.650586      7.262647
  C      -7.324647     -0.547559      8.009217
  O      -8.296955     -0.051974      8.485440
  Cl     -5.659718      0.047795      8.367855
  C      -7.364803     -3.590946      4.591043
  C      -3.334987     -5.468173      6.415468
  C      -2.175260     -5.402705      7.216273
  C      -2.261027     -5.196226      8.591453
  C      -3.513786     -5.080695      9.179233
  F      -3.580619     -4.844547     10.511248
  C      -4.695281     -5.199979      8.431370
  C      -6.038004     -5.175168      9.024869
  O      -7.086288     -5.295328      8.397697
  C      -6.287087     -5.145548     10.536469
  O      -6.133446     -6.118321     11.235496
  C      -6.945506     -3.831470     11.031829
  O      -6.912867     -2.806687     10.419258
  Cl     -7.618203     -3.973563     12.671903
  C      -4.580644     -5.380958      7.043007
  H      -1.336994     -1.603219      1.933682
  H      -1.663521      0.873135      2.053748
  H      -5.606721     -2.151857      2.098378
  H      -8.402760     -6.629071      3.469631
  H     -10.426928     -5.914982      4.698242
  H      -6.539701     -2.897223      4.486019
  H      -1.192767     -5.478195      6.746923
  H      -1.368806     -5.107644      9.211556
  H      -5.496717     -5.458349      6.455847
  N      -4.480023     -2.966462      4.709711
  N      -4.692534     -1.918098      5.327937
  H      -3.885833     -1.275343      5.379673
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.043062246647
  N      -3.326063     -3.459158      2.204036
  C      -2.726710     -4.203319      1.094392
  C      -2.485020     -5.643821      1.529022
  N      -3.615347     -6.133797      2.357890
  C      -4.839684     -6.412802      1.566323
  C      -6.080013     -6.354598      2.451366
  N      -6.064693     -5.151713      3.291831
  Mo     -4.226936     -4.436378      3.698278
  N      -3.288573     -5.607454      5.009807
  C      -2.505120     -6.732889      4.473624
  C      -3.215353     -7.267741      3.234389
  H      -2.428174     -7.541344      5.218765
  H      -1.470524     -6.427054      4.230693
  H      -4.133619     -7.781052      3.547996
  H      -2.588544     -7.986864      2.678635
  H      -6.963916     -6.350287      1.790143
  H      -6.160622     -7.266523      3.073766
  H      -4.912954     -5.632938      0.795946
  H      -4.765855     -7.390890      1.058312
  H      -1.761215     -3.760819      0.791263
  H      -3.381586     -4.156520      0.203088
  H      -1.586836     -5.685931      2.161311
  H      -2.322625     -6.305683      0.660568
  C      -3.443345     -2.059807      2.053245
  C      -2.327180     -1.201163      2.004091
  C      -2.484400      0.182716      2.081482
  C      -3.762795      0.711726      2.208732
  F      -3.897185      2.052557      2.353628
  C      -4.904345     -0.102682      2.200293
  C      -6.279994      0.388263      2.372632
  O      -7.280624     -0.312612      2.267508
  C      -6.604312      1.847295      2.726997
  O      -6.807778      2.700594      1.899190
  C      -6.800106      2.053387      4.253125
  O      -6.542305      1.205879      5.056757
  Cl     -7.360975      3.678597      4.675781
  C      -4.716767     -1.489000      2.086676
  C      -7.284691     -4.822589      3.916870
  C      -8.410207     -5.671525      3.953720
  C      -9.568483     -5.289427      4.639856
  C      -9.619871     -4.072526      5.304565
  F     -10.734713     -3.743959      6.001945
  C      -8.521343     -3.202661      5.296659
  C      -8.495528     -1.916513      6.050793
  O      -9.289631     -1.007128      5.901923
  C      -7.344838     -1.804188      7.096723
  O      -6.503323     -2.655347      7.265739
  C      -7.384543     -0.554759      7.996027
  O      -8.360082     -0.080090      8.486738
  Cl     -5.729200      0.082482      8.321047
  C      -7.389106     -3.598756      4.590170
  C      -3.326831     -5.461129      6.410579
  C      -2.159493     -5.389428      7.199403
  C      -2.232486     -5.175063      8.574246
  C      -3.479571     -5.059650      9.173871
  F      -3.533288     -4.816733     10.505192
  C      -4.668190     -5.186951      8.438376
  C      -6.005244     -5.170041      9.045165
  O      -7.058316     -5.305436      8.429289
  C      -6.240520     -5.135249     10.558670
  O      -6.065999     -6.101738     11.261513
  C      -6.914172     -3.828587     11.053598
  O      -6.933828     -2.815228     10.421702
  Cl     -7.617134     -3.986879     12.679790
  C      -4.566561     -5.373338      7.049688
  H      -1.322335     -1.625690      1.962978
  H      -1.625248      0.853805      2.082752
  H      -5.598027     -2.132370      2.105341
  H      -8.398438     -6.643426      3.461682
  H     -10.435559     -5.949639      4.677110
  H      -6.576275     -2.887267      4.498814
  H      -1.181263     -5.466160      6.721464
  H      -1.334242     -5.081350      9.184832
  H      -5.488024     -5.456287      6.471692
  N      -4.490134     -2.975401      4.712030
  N      -4.691532     -1.930578      5.337742
  H      -3.883128     -1.290648      5.393278
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.043887489700
  N      -3.320075     -3.461958      2.218665
  C      -2.732108     -4.202745      1.100167
  C      -2.493899     -5.646118      1.526453
  N      -3.625660     -6.136344      2.353568
  C      -4.850033     -6.409993      1.560245
  C      -6.092150     -6.348367      2.442337
  N      -6.075385     -5.146571      3.284799
  Mo     -4.235484     -4.444090      3.698798
  N      -3.297116     -5.616896      5.005889
  C      -2.517854     -6.744668      4.468126
  C      -3.229232     -7.273643      3.227158
  H      -2.445498     -7.555007      5.211702
  H      -1.481706     -6.442428      4.227044
  H      -4.149374     -7.784533      3.539430
  H      -2.604896     -7.993561      2.669655
  H      -6.973920     -6.339993      1.778288
  H      -6.177395     -7.261193      3.062829
  H      -4.919225     -5.629171      0.790434
  H      -4.778794     -7.387846      1.051358
  H      -1.767729     -3.761648      0.791753
  H      -3.394040     -4.149198      0.214426
  H      -1.595728     -5.693651      2.158383
  H      -2.334158     -6.304357      0.654751
  C      -3.422299     -2.060032      2.078648
  C      -2.297373     -1.212774      2.043198
  C      -2.444159      0.172435      2.123809
  C      -3.719841      0.712636      2.238149
  F      -3.843374      2.054227      2.382431
  C      -4.868567     -0.092247      2.215528
  C      -6.243968      0.404979      2.370225
  O      -7.246679     -0.290171      2.243480
  C      -6.573643      1.868498      2.694587
  O      -6.740306      2.713473      1.850016
  C      -6.874763      2.077802      4.203338
  O      -6.669688      1.234162      5.026878
  Cl     -7.489073      3.695819      4.577741
  C      -4.690778     -1.479477      2.102763
  C      -7.295195     -4.817631      3.909381
  C      -8.419393     -5.669692      3.935924
  C      -9.584831     -5.295433      4.613248
  C      -9.645957     -4.080698      5.280675
  F     -10.767642     -3.756738      5.968995
  C      -8.549820     -3.208521      5.285015
  C      -8.534680     -1.925340      6.044718
  O      -9.334007     -1.019935      5.901683
  C      -7.387992     -1.813186      7.095105
  O      -6.549910     -2.664171      7.273187
  C      -7.432866     -0.564438      7.996965
  O      -8.405719     -0.121492      8.521224
  Cl     -5.779795      0.071575      8.329749
  C      -7.407245     -3.596219      4.587757
  C      -3.322469     -5.464925      6.406580
  C      -2.147850     -5.393744      7.184445
  C      -2.208255     -5.174430      8.559270
  C      -3.449631     -5.054146      9.169659
  F      -3.490947     -4.807374     10.500754
  C      -4.645027     -5.181181      8.445196
  C      -5.976443     -5.164298      9.064264
  O      -7.034728     -5.305323      8.458771
  C      -6.198194     -5.124921     10.579477
  O      -6.010133     -6.087280     11.284634
  C      -6.863010     -3.815248     11.078682
  O      -6.876699     -2.799769     10.450000
  Cl     -7.522946     -3.960908     12.724357
  C      -4.556185     -5.371605      7.056190
  H      -1.296109     -1.646362      2.010569
  H      -1.579529      0.836369      2.135920
  H      -5.577549     -2.115421      2.111853
  H      -8.400676     -6.639761      3.440763
  H     -10.449410     -5.959397      4.640391
  H      -6.600275     -2.875214      4.513731
  H      -1.173971     -5.475404      6.698559
  H      -1.304293     -5.081373      9.161472
  H      -5.482958     -5.454084      6.486591
  N      -4.492425     -2.986763      4.721160
  N      -4.682401     -1.948268      5.358539
  H      -3.870355     -1.313875      5.422651
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.044660789286
  N      -3.320977     -3.465750      2.229396
  C      -2.743142     -4.202727      1.102762
  C      -2.503237     -5.647481      1.522476
  N      -3.633964     -6.140863      2.349273
  C      -4.857796     -6.414305      1.555214
  C      -6.101466     -6.351793      2.434923
  N      -6.087377     -5.149401      3.277148
  Mo     -4.246851     -4.453550      3.697688
  N      -3.304811     -5.624558      5.002118
  C      -2.525972     -6.752349      4.463587
  C      -3.236620     -7.279033      3.221211
  H      -2.455459     -7.563776      5.206186
  H      -1.489339     -6.450441      4.223938
  H      -4.156705     -7.790661      3.532662
  H      -2.612024     -7.997892      2.662672
  H      -6.981323     -6.343720      1.768333
  H      -6.187897     -7.264566      3.055286
  H      -4.925742     -5.634031      0.784720
  H      -4.786523     -7.392547      1.047089
  H      -1.781463     -3.760611      0.787728
  H      -3.412921     -4.145721      0.223130
  H      -1.604435     -5.696399      2.153390
  H      -2.344512     -6.302639      0.648287
  C      -3.411678     -2.061759      2.098461
  C      -2.279357     -1.224252      2.072474
  C      -2.415147      0.161959      2.155561
  C      -3.686644      0.713096      2.262903
  F      -3.798730      2.055100      2.409508
  C      -4.842178     -0.081976      2.232354
  C      -6.214020      0.425336      2.382100
  O      -7.221945     -0.263366      2.258059
  C      -6.539357      1.891949      2.693136
  O      -6.663490      2.739265      1.843448
  C      -6.874854      2.109524      4.193256
  O      -6.695505      1.268688      5.025210
  Cl     -7.491901      3.731921      4.544877
  C      -4.675365     -1.470881      2.118340
  C      -7.308570     -4.823644      3.900556
  C      -8.429125     -5.681779      3.917323
  C      -9.602595     -5.317685      4.585214
  C      -9.676496     -4.104774      5.253815
  F     -10.806206     -3.787419      5.931979
  C      -8.584830     -3.227681      5.270176
  C      -8.588452     -1.946410      6.032668
  O      -9.398301     -1.050143      5.892823
  C      -7.447425     -1.823283      7.088069
  O      -6.607547     -2.670917      7.278982
  C      -7.503899     -0.571488      7.986858
  O      -8.479243     -0.145219      8.520136
  Cl     -5.864445      0.122090      8.264000
  C      -7.431407     -3.604388      4.582520
  C      -3.316835     -5.464207      6.402349
  C      -2.134767     -5.388074      7.168314
  C      -2.182343     -5.161591      8.542608
  C      -3.417884     -5.039644      9.164340
  F      -3.446947     -4.786643     10.494648
  C      -4.620015     -5.171841      8.452117
  C      -5.945211     -5.158358      9.084609
  O      -7.008758     -5.308661      8.490692
  C      -6.152118     -5.110284     10.601500
  O      -5.952143     -6.067411     11.310600
  C      -6.814908     -3.799529     11.100019
  O      -6.832648     -2.786106     10.468300
  Cl     -7.451100     -3.936111     12.756077
  C      -4.544307     -5.368606      7.063143
  H      -1.281638     -1.666188      2.044847
  H      -1.545145      0.818687      2.174854
  H      -5.567622     -2.099080      2.122164
  H      -8.401026     -6.650572      3.420425
  H     -10.462938     -5.987440      4.602961
  H      -6.629585     -2.875676      4.525373
  H      -1.165414     -5.471997      6.673908
  H      -1.272720     -5.064806      9.135641
  H      -5.476480     -5.454708      6.502856
  N      -4.501895     -2.999663      4.728388
  N      -4.686346     -1.966128      5.374701
  H      -3.873427     -1.333684      5.445696
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.045304073005
  N      -3.319672     -3.470000      2.239328
  C      -2.750518     -4.203680      1.106193
  C      -2.511411     -5.649962      1.519878
  N      -3.642392     -6.145448      2.345248
  C      -4.865620     -6.416868      1.549874
  C      -6.110964     -6.352341      2.426892
  N      -6.099335     -5.149378      3.268983
  Mo     -4.256952     -4.462238      3.696687
  N      -3.312783     -5.633540      4.999081
  C      -2.535420     -6.761608      4.459471
  C      -3.245633     -7.285016      3.215424
  H      -2.467566     -7.574616      5.200665
  H      -1.497996     -6.461053      4.221207
  H      -4.166207     -7.796786      3.525443
  H      -2.620978     -8.003103      2.656017
  H      -6.988533     -6.344122      1.757270
  H      -6.199475     -7.264976      3.047131
  H      -4.931069     -5.636984      0.778766
  H      -4.795770     -7.395574      1.042426
  H      -1.790272     -3.762038      0.786300
  H      -3.426244     -4.142719      0.231346
  H      -1.612620     -5.701225      2.150626
  H      -2.353491     -6.302148      0.643335
  C      -3.400610     -2.064397      2.117327
  C      -2.262290     -1.234927      2.101442
  C      -2.388941      0.151978      2.186901
  C      -3.656785      0.712298      2.285653
  F      -3.759363      2.054488      2.434840
  C      -4.817924     -0.074210      2.244781
  C      -6.186723      0.442914      2.383242
  O      -7.198931     -0.241975      2.269947
  C      -6.508660      1.911116      2.686785
  O      -6.594943      2.761349      1.835230
  C      -6.883465      2.132028      4.176723
  O      -6.719797      1.296472      5.016542
  Cl     -7.498976      3.759469      4.509214
  C      -4.660301     -1.464713      2.130678
  C      -7.322403     -4.825791      3.889641
  C      -8.440404     -5.688341      3.895333
  C      -9.621335     -5.332313      4.553380
  C      -9.705560     -4.121700      5.223795
  F     -10.842542     -3.809724      5.892251
  C      -8.616460     -3.241959      5.253922
  C      -8.640416     -1.964499      6.021952
  O      -9.463381     -1.079446      5.887738
  C      -7.507049     -1.832212      7.083629
  O      -6.666399     -2.677588      7.283321
  C      -7.572399     -0.580013      7.981997
  O      -8.545582     -0.182771      8.541040
  Cl     -5.943721      0.145860      8.228747
  C      -7.453696     -3.608843      4.575747
  C      -3.310215     -5.463541      6.398403
  C      -2.119747     -5.382955      7.150869
  C      -2.152349     -5.147847      8.524193
  C      -3.380943     -5.022187      9.158684
  F      -3.395629     -4.760802     10.487695
  C      -4.590874     -5.158642      8.460566
  C      -5.909029     -5.145058      9.108013
  O      -6.978576     -5.302551      8.526680
  C      -6.098982     -5.090202     10.626653
  O      -5.906209     -6.049254     11.335130
  C      -6.764760     -3.781019     11.123579
  O      -6.782740     -2.767981     10.491434
  Cl     -7.408389     -3.919575     12.776887
  C      -4.530361     -5.363431      7.071859
  H      -1.267502     -1.683643      2.079879
  H      -1.514672      0.802731      2.214397
  H      -5.557199     -2.086162      2.126551
  H      -8.404692     -6.655836      3.396791
  H     -10.478684     -6.006069      4.561454
  H      -6.651639     -2.879689      4.535652
  H      -1.155821     -5.470435      6.646654
  H      -1.236373     -5.047420      9.106765
  H      -5.468681     -5.452243      6.522328
  N      -4.509985     -3.012586      4.736746
  N      -4.691879     -1.985863      5.394266
  H      -3.877578     -1.356143      5.473634
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.045893385642
  N      -3.314148     -3.474192      2.253083
  C      -2.752456     -4.203570      1.113830
  C      -2.518169     -5.652663      1.519471
  N      -3.651722     -6.149433      2.340792
  C      -4.874057     -6.414452      1.542273
  C      -6.121854     -6.347161      2.415429
  N      -6.111782     -5.145245      3.259787
  Mo     -4.266203     -4.471332      3.697741
  N      -3.322516     -5.647901      4.997011
  C      -2.548345     -6.776104      4.454385
  C      -3.258585     -7.292691      3.207441
  H      -2.484762     -7.592442      5.192408
  H      -1.509494     -6.478427      4.218304
  H      -4.180809     -7.803554      3.514256
  H      -2.634572     -8.010060      2.646446
  H      -6.996285     -6.336124      1.741730
  H      -6.214784     -7.260614      3.033765
  H      -4.934466     -5.633293      0.772054
  H      -4.807553     -7.392772      1.033597
  H      -1.791771     -3.764207      0.792130
  H      -3.431698     -4.135755      0.242157
  H      -1.620462     -5.709378      2.151301
  H      -2.360999     -6.300528      0.639599
  C      -3.385061     -2.066913      2.143603
  C      -2.240969     -1.245608      2.141010
  C      -2.359484      0.141685      2.233514
  C      -3.624364      0.710134      2.324232
  F      -3.718441      2.051898      2.480235
  C      -4.790534     -0.068532      2.269011
  C      -6.157451      0.455696      2.393299
  O      -7.172448     -0.223443      2.267139
  C      -6.480489      1.927569      2.672041
  O      -6.527144      2.770671      1.810113
  C      -6.920646      2.163097      4.141789
  O      -6.799714      1.336007      4.997211
  Cl     -7.583448      3.782660      4.420798
  C      -4.640808     -1.459546      2.150455
  C      -7.337148     -4.822514      3.876211
  C      -8.454651     -5.686428      3.867773
  C      -9.642621     -5.336117      4.515509
  C      -9.734274     -4.128786      5.189751
  F     -10.878108     -3.820316      5.848012
  C      -8.645099     -3.249604      5.236496
  C      -8.688555     -1.977470      6.012559
  O      -9.524739     -1.103731      5.884931
  C      -7.563930     -1.837596      7.081219
  O      -6.724083     -2.682751      7.287959
  C      -7.635540     -0.586351      7.979943
  O      -8.608128     -0.209405      8.554207
  Cl     -6.023020      0.183842      8.178508
  C      -7.474059     -3.608559      4.568480
  C      -3.304915     -5.470225      6.395251
  C      -2.105844     -5.386733      7.133796
  C      -2.122811     -5.144915      8.506289
  C      -3.344156     -5.016350      9.153999
  F      -3.344627     -4.750728     10.482463
  C      -4.561896     -5.156143      8.470409
  C      -5.871812     -5.144248      9.134398
  O      -6.947912     -5.310795      8.568107
  C      -6.043169     -5.076861     10.654691
  O      -5.829980     -6.025762     11.370976
  C      -6.691346     -3.758668     11.149941
  O      -6.721519     -2.754760     10.503773
  Cl     -7.320813     -3.879407     12.810384
  C      -4.517262     -5.366760      7.081916
  H      -1.248990     -1.700697      2.125052
  H      -1.481579      0.786961      2.272280
  H      -5.541678     -2.074959      2.134590
  H      -8.413664     -6.651938      3.366192
  H     -10.498872     -6.011292      4.512057
  H      -6.666786     -2.885042      4.547305
  H      -1.147749     -5.477197      6.619169
  H      -1.200458     -5.042197      9.078331
  H      -5.461807     -5.457587      6.543539
  N      -4.516427     -3.028446      4.749248
  N      -4.696291     -2.009356      5.418993
  H      -3.878677     -1.384855      5.507003
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.046332573890
  N      -3.310478     -3.478463      2.268665
  C      -2.752401     -4.201546      1.124121
  C      -2.522769     -5.653648      1.520519
  N      -3.660009     -6.153320      2.335302
  C      -4.880199     -6.411564      1.531647
  C      -6.131311     -6.344633      2.399931
  N      -6.125003     -5.145183      3.248628
  Mo     -4.277638     -4.482586      3.699054
  N      -3.334070     -5.664865      4.994809
  C      -2.562108     -6.792152      4.448286
  C      -3.271091     -7.301240      3.197522
  H      -2.502359     -7.612610      5.182214
  H      -1.521834     -6.496738      4.215149
  H      -4.194994     -7.812006      3.499547
  H      -2.646735     -8.017043      2.634881
  H      -7.002035     -6.330859      1.721446
  H      -6.228217     -7.260043      3.014745
  H      -4.935398     -5.627742      0.763756
  H      -4.815644     -7.388430      1.019839
  H      -1.790529     -3.763610      0.803837
  H      -3.432481     -4.126291      0.253606
  H      -1.627181     -5.716116      2.154805
  H      -2.364227     -6.296008      0.636849
  C      -3.373794     -2.070082      2.172811
  C      -2.225295     -1.255082      2.186493
  C      -2.336947      0.131945      2.290209
  C      -3.599333      0.706879      2.373950
  F      -3.686614      2.047486      2.541578
  C      -4.769391     -0.064804      2.300655
  C      -6.134358      0.466447      2.410069
  O      -7.151689     -0.205263      2.261591
  C      -6.456663      1.941996      2.664797
  O      -6.462338      2.777720      1.794123
  C      -6.967132      2.192054      4.109237
  O      -6.851634      1.390092      4.988787
  Cl     -7.601976      3.830106      4.346672
  C      -4.626163     -1.455838      2.173300
  C      -7.353869     -4.825408      3.859127
  C      -8.470010     -5.691020      3.834463
  C      -9.665579     -5.347440      4.471422
  C      -9.765732     -4.144045      5.150645
  F     -10.916826     -3.840312      5.798051
  C      -8.677055     -3.264799      5.215317
  C      -8.740949     -1.998873      5.999945
  O      -9.591505     -1.137872      5.878100
  C      -7.625281     -1.850531      7.074915
  O      -6.786330     -2.693371      7.287757
  C      -7.704680     -0.600806      7.973008
  O      -8.677480     -0.245142      8.561066
  Cl     -6.112277      0.213532      8.127759
  C      -7.497582     -3.615247      4.558389
  C      -3.301251     -5.480176      6.391663
  C      -2.093509     -5.393580      7.115750
  C      -2.094112     -5.143739      8.486908
  C      -3.307742     -5.009506      9.147791
  F      -3.293115     -4.736111     10.474787
  C      -4.533519     -5.151771      8.479218
  C      -5.835155     -5.134297      9.159145
  O      -6.918105     -5.305606      8.607893
  C      -5.988466     -5.048622     10.680622
  O      -5.765867     -5.987675     11.406979
  C      -6.613351     -3.716270     11.167471
  O      -6.623247     -2.716539     10.513969
  Cl     -7.195890     -3.799138     12.847327
  C      -4.505308     -5.371588      7.091787
  H      -1.235707     -1.715537      2.175724
  H      -1.456139      0.772263      2.343013
  H      -5.530234     -2.065998      2.143070
  H      -8.422707     -6.653942      3.328748
  H     -10.520419     -6.024195      4.455121
  H      -6.684593     -2.897630      4.557154
  H      -1.141624     -5.487663      6.590372
  H      -1.165234     -5.038655      9.047884
  H      -5.456083     -5.463715      6.564812
  N      -4.528977     -3.049399      4.761811
  N      -4.708732     -2.038168      5.443495
  H      -3.887210     -1.419640      5.539243
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.046911471783
  N      -3.307732     -3.481637      2.288067
  C      -2.752794     -4.197382      1.137548
  C      -2.528528     -5.653269      1.522428
  N      -3.669824     -6.155858      2.329802
  C      -4.887984     -6.405293      1.520629
  C      -6.142299     -6.340171      2.384434
  N      -6.138607     -5.144972      3.239838
  Mo     -4.290024     -4.493860      3.702955
  N      -3.345702     -5.683336      4.992596
  C      -2.577636     -6.810298      4.440694
  C      -3.286475     -7.309917      3.186122
  H      -2.521942     -7.635329      5.169922
  H      -1.535762     -6.518155      4.210265
  H      -4.212673     -7.819430      3.483251
  H      -2.663112     -8.024511      2.620800
  H      -7.009720     -6.321707      1.701849
  H      -6.243298     -7.258646      2.993914
  H      -4.937743     -5.616923      0.757042
  H      -4.825289     -7.379445      1.003427
  H      -1.789522     -3.760476      0.820032
  H      -3.433042     -4.112999      0.267951
  H      -1.635268     -5.723186      2.159168
  H      -2.368932     -6.288952      0.634143
  C      -3.362560     -2.072293      2.204945
  C      -2.209614     -1.264180      2.236497
  C      -2.314351      0.122706      2.348822
  C      -3.574369      0.704830      2.420405
  F      -3.655296      2.044554      2.596028
  C      -4.747971     -0.059725      2.327312
  C      -6.111301      0.478919      2.413567
  O      -7.130245     -0.189842      2.261008
  C      -6.434202      1.957703      2.643199
  O      -6.390475      2.787619      1.767828
  C      -6.996342      2.225575      4.065000
  O      -6.928118      1.429984      4.955205
  Cl     -7.660741      3.859379      4.251796
  C      -4.611114     -1.450950      2.195723
  C      -7.370509     -4.827762      3.845374
  C      -8.486171     -5.693280      3.803600
  C      -9.688892     -5.356475      4.430489
  C      -9.796950     -4.157952      5.116593
  F     -10.954865     -3.858976      5.753354
  C      -8.708430     -3.279455      5.199514
  C      -8.787793     -2.019704      5.992404
  O      -9.649735     -1.168988      5.876292
  C      -7.678193     -1.865039      7.073148
  O      -6.839765     -2.708014      7.293720
  C      -7.766950     -0.616048      7.969084
  O      -8.733755     -0.291417      8.585024
  Cl     -6.187216      0.220790      8.108920
  C      -7.520482     -3.622267      4.553122
  C      -3.294226     -5.492032      6.388090
  C      -2.076547     -5.405395      7.095099
  C      -2.057714     -5.147038      8.464590
  C      -3.261931     -5.002652      9.140603
  F      -3.228119     -4.717855     10.464825
  C      -4.497312     -5.143414      8.489018
  C      -5.790674     -5.111839      9.184364
  O      -6.880986     -5.279512      8.646732
  C      -5.926538     -5.012789     10.706801
  O      -5.723865     -5.953089     11.437248
  C      -6.531922     -3.668864     11.186139
  O      -6.530588     -2.674015     10.524724
  Cl     -7.136370     -3.738431     12.858712
  C      -4.488196     -5.374133      7.103329
  H      -1.222728     -1.730571      2.232847
  H      -1.430621      0.757597      2.416334
  H      -5.518218     -2.055673      2.149572
  H      -8.433068     -6.652649      3.291866
  H     -10.542650     -6.034085      4.400105
  H      -6.704306     -2.906948      4.573625
  H      -1.132204     -5.506046      6.557449
  H      -1.121057     -5.041911      9.012476
  H      -5.446072     -5.464872      6.589148
  N      -4.541447     -3.071996      4.777760
  N      -4.716284     -2.068806      5.473188
  H      -3.889533     -1.458196      5.575663
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.047339384982
  N      -3.308282     -3.484712      2.309431
  C      -2.753807     -4.192374      1.153720
  C      -2.533591     -5.651595      1.527170
  N      -3.679069     -6.157742      2.326178
  C      -4.894431     -6.398806      1.510360
  C      -6.152722     -6.337359      2.368796
  N      -6.153046     -5.147187      3.231955
  Mo     -4.304546     -4.505247      3.708713
  N      -3.359297     -5.701020      4.992232
  C      -2.593385     -6.826688      4.435179
  C      -3.301043     -7.317713      3.176702
  H      -2.540872     -7.656006      5.159896
  H      -1.550144     -6.536592      4.208034
  H      -4.229335     -7.826445      3.468594
  H      -2.678125     -8.030833      2.609020
  H      -7.016485     -6.314253      1.681756
  H      -6.257483     -7.259499      2.971994
  H      -4.938761     -5.604950      0.752166
  H      -4.831959     -7.369466      0.986563
  H      -1.789179     -3.755176      0.840759
  H      -3.432812     -4.099478      0.284015
  H      -1.643050     -5.728332      2.166884
  H      -2.371638     -6.280432      0.634454
  C      -3.355345     -2.074543      2.236799
  C      -2.197884     -1.273403      2.285300
  C      -2.293831      0.113395      2.402697
  C      -3.550174      0.704325      2.461370
  F      -3.623094      2.043343      2.643282
  C      -4.727859     -0.051748      2.352061
  C      -6.087538      0.498215      2.419296
  O      -7.111223     -0.167818      2.285360
  C      -6.403085      1.981923      2.623372
  O      -6.347007      2.795786      1.733773
  C      -7.002531      2.271310      4.024711
  O      -6.949781      1.494100      4.931213
  Cl     -7.709770      3.893322      4.155725
  C      -4.599491     -1.444070      2.218338
  C      -7.388990     -4.832674      3.831190
  C      -8.504100     -5.697637      3.771648
  C      -9.713984     -5.367093      4.387584
  C      -9.830371     -4.173458      5.080310
  F     -10.995429     -3.879344      5.705373
  C      -8.742483     -3.295582      5.182073
  C      -8.836578     -2.040735      5.980260
  O      -9.709291     -1.200382      5.867060
  C      -7.731922     -1.875784      7.064932
  O      -6.892211     -2.715639      7.296369
  C      -7.832365     -0.624542      7.954193
  O      -8.794322     -0.323913      8.590337
  Cl     -6.274107      0.253792      8.055647
  C      -7.545944     -3.631854      4.547032
  C      -3.289087     -5.504002      6.386258
  C      -2.062068     -5.413506      7.076328
  C      -2.024419     -5.146851      8.443800
  C      -3.219215     -4.999170      9.135449
  F      -3.167496     -4.708993     10.457939
  C      -4.463289     -5.145934      8.502067
  C      -5.746394     -5.112242      9.216283
  O      -6.843392     -5.296594      8.698270
  C      -5.859761     -4.987164     10.738928
  O      -5.646847     -5.914154     11.483151
  C      -6.457706     -3.634452     11.202529
  O      -6.462275     -2.651631     10.523458
  Cl     -7.048561     -3.675217     12.880475
  C      -4.473283     -5.384184      7.117591
  H      -1.214246     -1.746667      2.288429
  H      -1.406391      0.741563      2.483016
  H      -5.510254     -2.042135      2.158245
  H      -8.444716     -6.653315      3.253888
  H     -10.566649     -6.045245      4.342626
  H      -6.727464     -2.919938      4.589014
  H      -1.125064     -5.516643      6.526476
  H      -1.080356     -5.038661      8.978205
  H      -5.437890     -5.479489      6.617040
  N      -4.557549     -3.093960      4.794312
  N      -4.728093     -2.097033      5.500573
  H      -3.897253     -1.493043      5.608926
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.047796379537
  N      -3.311232     -3.487575      2.334403
  C      -2.753195     -4.184099      1.173501
  C      -2.535818     -5.647157      1.533099
  N      -3.686154     -6.159420      2.320991
  C      -4.897312     -6.390819      1.496155
  C      -6.160648     -6.336930      2.347699
  N      -6.166934     -5.154527      3.222097
  Mo     -4.320151     -4.519937      3.715789
  N      -3.374735     -5.723666      4.991476
  C      -2.610088     -6.846963      4.428065
  C      -3.314419     -7.327044      3.163767
  H      -2.561207     -7.681708      5.146916
  H      -1.565280     -6.558189      4.206170
  H      -4.245123     -7.835703      3.447997
  H      -2.691061     -8.037451      2.593187
  H      -7.020021     -6.307815      1.655449
  H      -6.269006     -7.264599      2.941634
  H      -4.935907     -5.588962      0.746159
  H      -4.833081     -7.356076      0.962634
  H      -1.787074     -3.744517      0.868615
  H      -3.428773     -4.081891      0.302210
  H      -1.648779     -5.731201      2.176709
  H      -2.369504     -6.267158      0.635010
  C      -3.353795     -2.076668      2.274168
  C      -2.193937     -1.279874      2.341679
  C      -2.284651      0.106409      2.466212
  C      -3.538953      0.702662      2.513166
  F      -3.608453      2.040790      2.701712
  C      -4.718326     -0.047919      2.387676
  C      -6.074986      0.510439      2.440386
  O      -7.101750     -0.150204      2.302785
  C      -6.382395      2.000764      2.604786
  O      -6.290488      2.795447      1.700833
  C      -7.002264      2.330225      3.987917
  O      -6.964968      1.579170      4.916502
  Cl     -7.704449      3.958715      4.063320
  C      -4.594891     -1.440251      2.247781
  C      -7.408162     -4.844603      3.813602
  C      -8.522420     -5.708671      3.733172
  C      -9.739811     -5.385211      4.337393
  C      -9.865166     -4.198207      5.039329
  F     -11.037741     -3.910776      5.652438
  C      -8.778273     -3.321342      5.163374
  C      -8.885847     -2.073155      5.969159
  O      -9.768278     -1.242147      5.859974
  C      -7.786968     -1.900881      7.058494
  O      -6.945669     -2.736695      7.299571
  C      -7.900366     -0.648947      7.942901
  O      -8.857590     -0.371016      8.596970
  Cl     -6.363566      0.267051      8.013351
  C      -7.573044     -3.650102      4.539835
  C      -3.285664     -5.522188      6.384097
  C      -2.049278     -5.431553      7.056983
  C      -1.992179     -5.156627      8.422166
  C      -3.176984     -4.998804      9.128704
  F      -3.106305     -4.699597     10.448280
  C      -4.429973     -5.144176      8.512811
  C      -5.703833     -5.093112      9.242578
  O      -6.808377     -5.275396      8.740330
  C      -5.797888     -4.940294     10.764403
  O      -5.593503     -5.857038     11.523337
  C      -6.359224     -3.565868     11.209931
  O      -6.345306     -2.595422     10.513273
  Cl     -6.942723     -3.564510     12.890362
  C      -4.459413     -5.393766      7.130781
  H      -1.212505     -1.757745      2.350979
  H      -1.395201      0.729791      2.560236
  H      -5.507562     -2.033907      2.173439
  H      -8.456015     -6.659351      3.207258
  H     -10.591320     -6.063468      4.275585
  H      -6.752464     -2.942928      4.604200
  H      -1.120050     -5.541124      6.495328
  H      -1.040544     -5.049181      8.943107
  H      -5.430740     -5.488764      6.643406
  N      -4.577204     -3.121176      4.813723
  N      -4.745200     -2.132409      5.532504
  H      -3.911325     -1.534258      5.649131
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.048260410342
  N      -3.316638     -3.489729      2.362670
  C      -2.751626     -4.173719      1.197251
  C      -2.536771     -5.640879      1.542069
  N      -3.692501     -6.160000      2.317224
  C      -4.898606     -6.380424      1.481872
  C      -6.167735     -6.335881      2.325079
  N      -6.180136     -5.163237      3.212815
  Mo     -4.336487     -4.535010      3.725596
  N      -3.391574     -5.747365      4.992259
  C      -2.627649     -6.867720      4.421936
  C      -3.327911     -7.335937      3.151382
  H      -2.582258     -7.708047      5.134605
  H      -1.581309     -6.579684      4.206048
  H      -4.261340     -7.844339      3.427060
  H      -2.704143     -8.043494      2.577759
  H      -7.022175     -6.298997      1.627187
  H      -6.280341     -7.270167      2.907683
  H      -4.930823     -5.568663      0.742391
  H      -4.831256     -7.338756      0.936381
  H      -1.783732     -3.730488      0.903631
  H      -3.421642     -4.061812      0.322961
  H      -1.653664     -5.732707      2.189983
  H      -2.365004     -6.251086      0.638275
  C      -3.356154     -2.078114      2.314674
  C      -2.194600     -1.284960      2.400042
  C      -2.281372      0.100936      2.529664
  C      -3.534546      0.701068      2.564476
  F      -3.603054      2.039089      2.754973
  C      -4.714607     -0.045663      2.425941
  C      -6.068446      0.520566      2.465368
  O      -7.098273     -0.136186      2.333217
  C      -6.363863      2.018254      2.581727
  O      -6.247601      2.784650      1.656376
  C      -7.001205      2.395553      3.944280
  O      -6.975306      1.677142      4.898971
  Cl     -7.696275      4.029369      3.956422
  C      -4.594761     -1.437522      2.281727
  C      -7.426946     -4.857561      3.794988
  C      -8.541382     -5.718766      3.691896
  C      -9.765868     -5.400457      4.283641
  C      -9.898862     -4.220849      4.996013
  F     -11.078889     -3.939054      5.596548
  C      -8.812132     -3.347064      5.144318
  C      -8.927359     -2.105368      5.957705
  O      -9.815398     -1.279416      5.852850
  C      -7.834004     -1.929466      7.051088
  O      -6.992177     -2.760676      7.301443
  C      -7.958972     -0.676254      7.930998
  O      -8.912557     -0.413102      8.596872
  Cl     -6.444501      0.277217      7.966223
  C      -7.598739     -3.670259      4.532560
  C      -3.283597     -5.543595      6.383375
  C      -2.038023     -5.453318      7.038995
  C      -1.960977     -5.171033      8.401584
  C      -3.135143     -5.003176      9.123203
  F      -3.044704     -4.694601     10.439377
  C      -4.396960     -5.146249      8.525148
  C      -5.661181     -5.075265      9.270201
  O      -6.773033     -5.255584      8.783910
  C      -5.734886     -4.893838     10.790512
  O      -5.546932     -5.801520     11.564227
  C      -6.257975     -3.498196     11.216604
  O      -6.220343     -2.540205     10.503784
  Cl     -6.834683     -3.454026     12.898087
  C      -4.446529     -5.406731      7.145728
  H      -1.215093     -1.766805      2.415378
  H      -1.390469      0.720277      2.635734
  H      -5.508562     -2.027977      2.195458
  H      -8.468589     -6.663737      3.156670
  H     -10.617258     -6.076955      4.203715
  H      -6.776109     -2.968394      4.618791
  H      -1.116766     -5.569107      6.465600
  H      -1.001669     -5.064824      8.908512
  H      -5.424561     -5.500658      6.671721
  N      -4.597748     -3.148234      4.834773
  N      -4.762647     -2.167354      5.564842
  H      -3.925879     -1.575129      5.690107
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.048714832999
  N      -3.326631     -3.491632      2.391873
  C      -2.752350     -4.162679      1.222866
  C      -2.537851     -5.633335      1.553787
  N      -3.698289     -6.160588      2.315875
  C      -4.898436     -6.371668      1.469406
  C      -6.173885     -6.337461      2.303013
  N      -6.193646     -5.174700      3.203583
  Mo     -4.354660     -4.550277      3.736811
  N      -3.409276     -5.769195      4.995037
  C      -2.644189     -6.885745      4.418486
  C      -3.339542     -7.343632      3.141995
  H      -2.601280     -7.730967      5.125580
  H      -1.596811     -6.596744      4.208689
  H      -4.275168     -7.852572      3.409323
  H      -2.714536     -8.048026      2.565875
  H      -7.022858     -6.293274      1.598980
  H      -6.290381     -7.278282      2.874214
  H      -4.924782     -5.550004      0.740814
  H      -4.825944     -7.322768      0.912093
  H      -1.783355     -3.714098      0.941593
  H      -3.416280     -4.042613      0.345148
  H      -1.658628     -5.731256      2.206050
  H      -2.359434     -6.233787      0.644700
  C      -3.364285     -2.079310      2.354793
  C      -2.201269     -1.289537      2.454915
  C      -2.284076      0.096178      2.586957
  C      -3.535993      0.699754      2.609974
  F      -3.603883      2.038243      2.799815
  C      -4.716791     -0.043495      2.462241
  C      -6.067147      0.532158      2.491456
  O      -7.101879     -0.120079      2.380061
  C      -6.345080      2.037085      2.558868
  O      -6.207437      2.771683      1.610968
  C      -6.978461      2.469991      3.906214
  O      -6.955818      1.787173      4.886970
  Cl     -7.647113      4.114433      3.862504
  C      -4.600821     -1.435250      2.316867
  C      -7.446251     -4.873346      3.774896
  C      -8.560848     -5.731388      3.648477
  C      -9.792465     -5.417122      4.226654
  C      -9.933214     -4.244712      4.948823
  F     -11.121278     -3.967075      5.534970
  C      -8.846987     -3.374772      5.122050
  C      -8.968523     -2.137864      5.939912
  O      -9.860020     -1.314898      5.837269
  C      -7.881574     -1.956190      7.037377
  O      -7.038391     -2.780930      7.300387
  C      -8.018952     -0.697656      7.908530
  O      -8.963533     -0.450142      8.592919
  Cl     -6.523492      0.286251      7.909327
  C      -7.625301     -3.693591      4.523192
  C      -3.283273     -5.563746      6.384260
  C      -2.029061     -5.469395      7.022891
  C      -1.932692     -5.179307      8.382318
  C      -3.096271     -5.006885      9.119051
  F      -2.987358     -4.690925     10.432186
  C      -4.366005     -5.154429      8.539758
  C      -5.619000     -5.073672      9.302782
  O      -6.737352     -5.265963      8.837028
  C      -5.668938     -4.852926     10.819389
  O      -5.469175     -5.739571     11.614173
  C      -6.167373     -3.440459     11.218653
  O      -6.129394     -2.502402     10.480144
  Cl     -6.703953     -3.342702     12.910538
  C      -4.435666     -5.424279      7.162691
  H      -1.223684     -1.775136      2.476461
  H      -1.391727      0.711597      2.703052
  H      -5.515737     -2.022840      2.222451
  H      -8.481279     -6.670746      3.104458
  H     -10.643918     -6.091103      4.128247
  H      -6.800838     -2.996950      4.630268
  H      -1.115423     -5.587506      6.437908
  H      -0.966114     -5.070557      8.874708
  H      -5.420101     -5.521092      6.702638
  N      -4.620722     -3.172893      4.855621
  N      -4.783797     -2.197968      5.593420
  H      -3.945547     -1.609712      5.726879
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.049181542418
  N      -3.335961     -3.494002      2.420070
  C      -2.753985     -4.152569      1.247334
  C      -2.540044     -5.626473      1.564497
  N      -3.704622     -6.161807      2.314050
  C      -4.898876     -6.363427      1.457161
  C      -6.179852     -6.338434      2.281785
  N      -6.205945     -5.185476      3.194627
  Mo     -4.370866     -4.565949      3.747629
  N      -3.424979     -5.792098      4.997257
  C      -2.660470     -6.905856      4.413961
  C      -3.351909     -7.352129      3.131686
  H      -2.621063     -7.756226      5.115099
  H      -1.611944     -6.616978      4.209576
  H      -4.289960     -7.860895      3.391082
  H      -2.726340     -8.053635      2.552634
  H      -7.023524     -6.286552      1.571982
  H      -6.300349     -7.285447      2.841853
  H      -4.919738     -5.532711      0.738778
  H      -4.821974     -7.307717      0.889019
  H      -1.784147     -3.699308      0.977078
  H      -3.413017     -4.024412      0.367143
  H      -1.664294     -5.730290      2.220471
  H      -2.355839     -6.217223      0.650166
  C      -3.370512     -2.081093      2.395185
  C      -2.205296     -1.296144      2.506916
  C      -2.283278      0.089411      2.642889
  C      -3.533167      0.697186      2.657738
  F      -3.598136      2.035559      2.851535
  C      -4.715854     -0.041467      2.502127
  C      -6.063126      0.542561      2.525319
  O      -7.102323     -0.105712      2.438469
  C      -6.325619      2.052131      2.545318
  O      -6.186752      2.751147      1.571073
  C      -6.957838      2.535712      3.875252
  O      -6.932875      1.890358      4.881096
  Cl     -7.628550      4.176338      3.770150
  C      -4.604853     -1.433263      2.355108
  C      -7.463407     -4.888011      3.756013
  C      -8.578467     -5.742343      3.606400
  C      -9.816660     -5.431468      4.171846
  C      -9.963992     -4.266435      4.904201
  F     -11.159436     -3.991487      5.476688
  C      -8.877897     -3.401796      5.102140
  C      -9.006520     -2.170829      5.925898
  O      -9.900604     -1.349657      5.826701
  C      -7.927022     -1.986190      7.028785
  O      -7.083054     -2.806300      7.303237
  C      -8.074312     -0.723149      7.893906
  O      -9.009358     -0.487976      8.595064
  Cl     -6.602868      0.295705      7.846166
  C      -7.648611     -3.716585      4.515702
  C      -3.280816     -5.583644      6.384267
  C      -2.017823     -5.488690      7.005462
  C      -1.902350     -5.189674      8.361458
  C      -3.055571     -5.006936      9.111984
  F      -2.928154     -4.680156     10.420977
  C      -4.333232     -5.154251      8.550314
  C      -5.577029     -5.056943      9.326730
  O      -6.700770     -5.253416      8.876370
  C      -5.608824     -4.804399     10.838808
  O      -5.418046     -5.677633     11.650532
  C      -6.080708     -3.375956     11.211973
  O      -6.033027     -2.455024     10.452445
  Cl     -6.602037     -3.232773     12.905259
  C      -4.422110     -5.435787      7.176948
  H      -1.229912     -1.785846      2.533103
  H      -1.389189      0.700426      2.768241
  H      -5.521377     -2.017351      2.254678
  H      -8.493269     -6.675979      3.053616
  H     -10.668459     -6.102124      4.055331
  H      -6.821660     -3.025749      4.642846
  H      -1.112149     -5.612859      6.409437
  H      -0.928792     -5.080782      8.839895
  H      -5.412766     -5.530925      6.730007
  N      -4.640067     -3.197319      4.877614
  N      -4.802304     -2.229332      5.624140
  H      -3.962961     -1.644740      5.766857
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.049661237763
  N      -3.347437     -3.495509      2.444069
  C      -2.758299     -4.144324      1.269265
  C      -2.543620     -5.620181      1.576183
  N      -3.711292     -6.163212      2.314764
  C      -4.899462     -6.359386      1.448624
  C      -6.185357     -6.341762      2.264888
  N      -6.218051     -5.196179      3.186675
  Mo     -4.386734     -4.579168      3.757371
  N      -3.438145     -5.809597      5.000998
  C      -2.673629     -6.920718      4.412404
  C      -3.362307     -7.358422      3.126033
  H      -2.636608     -7.775111      5.108765
  H      -1.624572     -6.631222      4.211573
  H      -4.301854     -7.867522      3.379583
  H      -2.735775     -8.057442      2.544928
  H      -7.023945     -6.284582      1.549510
  H      -6.309128     -7.293323      2.816512
  H      -4.916441     -5.522813      0.736962
  H      -4.817752     -7.298969      0.873404
  H      -1.788055     -3.687026      1.007776
  H      -3.413322     -4.010707      0.386895
  H      -1.670993     -5.727207      2.235750
  H      -2.353583     -6.203189      0.658035
  C      -3.378547     -2.082238      2.429405
  C      -2.210648     -1.302396      2.546669
  C      -2.283041      0.083382      2.683920
  C      -3.530200      0.695750      2.693727
  F      -3.590677      2.034622      2.888210
  C      -4.715621     -0.037819      2.535372
  C      -6.059041      0.555579      2.555444
  O      -7.103606     -0.086766      2.498182
  C      -6.304570      2.068018      2.532273
  O      -6.166666      2.732663      1.534042
  C      -6.920308      2.602165      3.849766
  O      -6.887554      1.992482      4.877244
  Cl     -7.590008      4.238591      3.692606
  C      -4.610887     -1.430340      2.389232
  C      -7.479724     -4.902000      3.738462
  C      -8.594957     -5.753260      3.568223
  C      -9.839387     -5.444820      4.121245
  C      -9.992987     -4.285575      4.861220
  F     -11.195044     -4.011669      5.420771
  C      -8.907103     -3.426175      5.080908
  C      -9.044061     -2.200706      5.909682
  O      -9.940528     -1.381004      5.814046
  C      -7.973189     -2.014310      7.018941
  O      -7.129484     -2.831248      7.303601
  C      -8.127938     -0.747242      7.879590
  O      -9.048926     -0.525984      8.602840
  Cl     -6.679889      0.301154      7.781231
  C      -7.670817     -3.737957      4.507410
  C      -3.277537     -5.596073      6.385373
  C      -2.006632     -5.497895      6.990164
  C      -1.874196     -5.189877      8.342636
  C      -3.018170     -5.001322      9.105881
  F      -2.874778     -4.665880     10.411259
  C      -4.302626     -5.152400      8.561007
  C      -5.537479     -5.047946      9.351062
  O      -6.665083     -5.258347      8.917209
  C      -5.551998     -4.769926     10.858572
  O      -5.362113     -5.631191     11.683318
  C      -6.009250     -3.331674     11.210320
  O      -5.962600     -2.425450     10.432920
  Cl     -6.514930     -3.153630     12.905275
  C      -4.408718     -5.443341      7.190928
  H      -1.237360     -1.795935      2.575645
  H      -1.386884      0.690377      2.813775
  H      -5.529599     -2.010494      2.286575
  H      -8.504863     -6.682435      3.008977
  H     -10.691248     -6.112456      3.988906
  H      -6.842265     -3.051613      4.652056
  H      -1.108304     -5.626140      6.384021
  H      -0.894724     -5.078499      8.808247
  H      -5.404899     -5.539464      6.756593
  N      -4.659760     -3.216828      4.896762
  N      -4.822908     -2.254844      5.650486
  H      -3.982791     -1.673313      5.801959
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.050156559119
  N      -3.362459     -3.496854      2.464923
  C      -2.765524     -4.137429      1.289451
  C      -2.547906     -5.614136      1.588581
  N      -3.717797     -6.165904      2.316603
  C      -4.898867     -6.360655      1.441210
  C      -6.189627     -6.350262      2.248962
  N      -6.230094     -5.210668      3.177660
  Mo     -4.403093     -4.592726      3.765831
  N      -3.449168     -5.824983      5.005269
  C      -2.683779     -6.933129      4.412281
  C      -3.370273     -7.364396      3.122791
  H      -2.648099     -7.790981      5.104431
  H      -1.634749     -6.642004      4.213776
  H      -4.310397     -7.874785      3.371780
  H      -2.741999     -8.060723      2.540175
  H      -7.023043     -6.289786      1.527830
  H      -6.315871     -7.305450      2.793761
  H      -4.913567     -5.520663      0.733499
  H      -4.810880     -7.297046      0.861703
  H      -1.795365     -3.675943      1.035430
  H      -3.416847     -4.000580      0.404780
  H      -1.678362     -5.721673      2.252082
  H      -2.351052     -6.190479      0.667615
  C      -3.389776     -2.083411      2.459772
  C      -2.218413     -1.309114      2.576044
  C      -2.283807      0.077128      2.713032
  C      -3.527533      0.694570      2.723586
  F      -3.581712      2.034424      2.917077
  C      -4.716892     -0.033198      2.569751
  C      -6.055276      0.571381      2.595079
  O      -7.106415     -0.061928      2.577053
  C      -6.280352      2.085867      2.537088
  O      -6.155203      2.718001      1.516126
  C      -6.858456      2.668572      3.850081
  O      -6.804862      2.091767      4.895270
  Cl     -7.526386      4.300993      3.655515
  C      -4.620303     -1.426857      2.424589
  C      -7.495927     -4.920441      3.719655
  C      -8.610590     -5.769539      3.529684
  C      -9.861430     -5.463751      4.070047
  C     -10.022009     -4.309537      4.816300
  F     -11.230525     -4.036115      5.362702
  C      -8.936819     -3.454863      5.056385
  C      -9.083853     -2.235008      5.889877
  O      -9.982418     -1.416368      5.797795
  C      -8.022965     -2.047401      7.006525
  O      -7.180422     -2.861758      7.301463
  C      -8.183462     -0.775560      7.862022
  O      -9.085277     -0.568346      8.612262
  Cl     -6.760951      0.299966      7.704912
  C      -7.693614     -3.763688      4.496857
  C      -3.273797     -5.604496      6.386683
  C      -1.995747     -5.502113      6.976111
  C      -1.848473     -5.185010      8.325122
  C      -2.984329     -4.991349      9.099410
  F      -2.827265     -4.647030     10.401198
  C      -4.274614     -5.146524      8.569785
  C      -5.501489     -5.036204      9.371750
  O      -6.632782     -5.254145      8.951457
  C      -5.502014     -4.729488     10.873186
  O      -5.314249     -5.576641     11.713001
  C      -5.941854     -3.279918     11.197904
  O      -5.895608     -2.391551     10.399698
  Cl     -6.430380     -3.059859     12.893478
  C      -4.395818     -5.446991      7.203151
  H      -1.247080     -1.806346      2.604122
  H      -1.384867      0.680206      2.841828
  H      -5.542130     -2.002377      2.324882
  H      -8.515667     -6.694860      2.965120
  H     -10.712744     -6.128931      3.922681
  H      -6.865066     -3.079862      4.657312
  H      -1.104184     -5.634296      6.361003
  H      -0.864059     -5.070511      8.779396
  H      -5.396899     -5.544313      6.780461
  N      -4.681995     -3.235504      4.913809
  N      -4.848116     -2.278519      5.672849
  H      -4.007794     -1.699172      5.832782
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.050668267154
  N      -3.376794     -3.497180      2.483424
  C      -2.773038     -4.131179      1.307833
  C      -2.552379     -5.608346      1.600657
  N      -3.724370     -6.167876      2.319136
  C      -4.898710     -6.362481      1.435388
  C      -6.194044     -6.358103      2.235371
  N      -6.241840     -5.223395      3.169670
  Mo     -4.418436     -4.604258      3.773443
  N      -3.458204     -5.837737      5.009492
  C      -2.691990     -6.942858      4.412628
  C      -3.377378     -7.369028      3.120935
  H      -2.656993     -7.803838      5.100948
  H      -1.643092     -6.650356      4.215556
  H      -4.317644     -7.880811      3.366522
  H      -2.747538     -8.062830      2.536846
  H      -7.022798     -6.295173      1.509093
  H      -6.322541     -7.316151      2.774575
  H      -4.911540     -5.520490      0.730008
  H      -4.804875     -7.296660      0.853195
  H      -1.802902     -3.666554      1.059693
  H      -3.421094     -3.991784      0.421112
  H      -1.685857     -5.715931      2.268048
  H      -2.349031     -6.179072      0.677577
  C      -3.399915     -2.083743      2.486913
  C      -2.225096     -1.314590      2.599924
  C      -2.283659      0.072174      2.735718
  C      -3.524243      0.694578      2.748683
  F      -3.572170      2.035535      2.939810
  C      -4.717449     -0.028011      2.602190
  C      -6.051164      0.586328      2.634331
  O      -7.107193     -0.038453      2.650068
  C      -6.259947      2.100928      2.538703
  O      -6.147029      2.700092      1.496400
  C      -6.796413      2.732578      3.845894
  O      -6.718397      2.189736      4.907564
  Cl     -7.460307      4.361489      3.615459
  C      -4.628583     -1.422579      2.458145
  C      -7.511655     -4.936542      3.702884
  C      -8.625461     -5.783414      3.495261
  C      -9.882198     -5.480273      4.023851
  C     -10.049649     -4.330500      4.775417
  F     -11.263813     -4.057694      5.309525
  C      -8.965217     -3.479822      5.033584
  C      -9.122320     -2.265303      5.871610
  O     -10.024017     -1.449029      5.782767
  C      -8.069875     -2.076028      6.994831
  O      -7.228900     -2.889262      7.299771
  C      -8.234642     -0.799473      7.843605
  O      -9.116284     -0.604468      8.620275
  Cl     -6.840007      0.301053      7.627717
  C      -7.715673     -3.786083      4.487341
  C      -3.269309     -5.610200      6.388039
  C      -1.985077     -5.502675      6.963467
  C      -1.824464     -5.177354      8.309084
  C      -2.952733     -4.981020      9.093620
  F      -2.783501     -4.629740     10.392264
  C      -4.248054     -5.141739      8.578499
  C      -5.466480     -5.028554      9.392993
  O      -6.600581     -5.262726      8.989244
  C      -5.451793     -4.697826     10.888938
  O      -5.261454     -5.532338     11.740733
  C      -5.885802     -3.242105     11.191553
  O      -5.848075     -2.369017     10.376116
  Cl     -6.359655     -2.990303     12.887226
  C      -4.383118     -5.450373      7.214847
  H      -1.255418     -1.815086      2.625263
  H      -1.381972      0.671886      2.861009
  H      -5.553477     -1.993711      2.362510
  H      -8.526318     -6.705348      2.926062
  H     -10.732543     -6.143492      3.862735
  H      -6.887942     -3.104460      4.662024
  H      -1.099751     -5.637203      6.340046
  H      -0.835788     -5.058885      8.752950
  H      -5.388568     -5.550606      6.803382
  N      -4.703624     -3.252486      4.929409
  N      -4.872233     -2.299894      5.693206
  H      -4.031392     -1.723150      5.860543
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.051209583242
  N      -3.392651     -3.496146      2.495911
  C      -2.782266     -4.127484      1.322455
  C      -2.556851     -5.603683      1.613058
  N      -3.730749     -6.170725      2.323051
  C      -4.897348     -6.370559      1.431215
  C      -6.197408     -6.370944      2.223847
  N      -6.253396     -5.238582      3.160678
  Mo     -4.432930     -4.614356      3.778191
  N      -3.462600     -5.846631      5.013646
  C      -2.695285     -6.948472      4.414509
  C      -3.381551     -7.372813      3.122357
  H      -2.659656     -7.812021      5.099699
  H      -1.646891     -6.654715      4.216860
  H      -4.320748     -7.886834      3.366941
  H      -2.749730     -8.064094      2.537221
  H      -7.021964     -6.308528      1.492742
  H      -6.327395     -7.330239      2.760363
  H      -4.909856     -5.530580      0.723449
  H      -4.796653     -7.305153      0.850735
  H      -1.812023     -3.661536      1.077025
  H      -3.427323     -3.988179      0.433457
  H      -1.693732     -5.708586      2.285204
  H      -2.346085     -6.171136      0.689632
  C      -3.410747     -2.083250      2.505983
  C      -2.232311     -1.318102      2.607051
  C      -2.283497      0.069391      2.738845
  C      -3.520940      0.696545      2.762158
  F      -3.561980      2.039256      2.947159
  C      -4.718350     -0.021603      2.633780
  C      -6.046535      0.602380      2.684428
  O      -7.106747     -0.013054      2.738042
  C      -6.241171      2.116209      2.560213
  O      -6.148576      2.687900      1.500168
  C      -6.712467      2.792473      3.869407
  O      -6.594968      2.278409      4.941833
  Cl     -7.364266      4.423363      3.621447
  C      -4.637814     -1.417112      2.490281
  C      -7.527512     -4.955348      3.686008
  C      -8.639355     -5.800981      3.463648
  C      -9.902061     -5.501470      3.981098
  C     -10.077556     -4.354898      4.736023
  F     -11.296536     -4.083379      5.258415
  C      -8.994067     -3.506136      5.008738
  C      -9.163894     -2.297008      5.851316
  O     -10.070717     -1.485548      5.765035
  C      -8.118688     -2.105512      6.981032
  O      -7.281134     -2.920533      7.296146
  C      -8.283737     -0.823238      7.818326
  O      -9.139244     -0.638626      8.626545
  Cl     -6.923204      0.300313      7.530743
  C      -7.738618     -3.809848      4.475999
  C      -3.263336     -5.609571      6.389386
  C      -1.974790     -5.496190      6.954300
  C      -1.805047     -5.163145      8.297028
  C      -2.927776     -4.965767      9.088759
  F      -2.750494     -4.608914     10.385013
  C      -4.226520     -5.132539      8.584972
  C      -5.437258     -5.018139      9.410363
  O      -6.573377     -5.270755      9.023275
  C      -5.409321     -4.665882     10.901247
  O      -5.213425     -5.487629     11.763860
  C      -5.840382     -3.205194     11.182279
  O      -5.814951     -2.347490     10.350476
  Cl     -6.298450     -2.923092     12.877799
  C      -4.371504     -5.448634      7.223629
  H      -1.263404     -1.820482      2.623900
  H      -1.378844      0.667079      2.852131
  H      -5.566340     -1.983829      2.405036
  H      -8.536821     -6.720605      2.891319
  H     -10.750172     -6.164469      3.807877
  H      -6.914640     -3.127455      4.661963
  H      -1.094228     -5.632319      6.324719
  H      -0.813793     -5.040038      8.733821
  H      -5.380201     -5.553221      6.821527
  N      -4.727884     -3.268541      4.940942
  N      -4.900207     -2.318512      5.707194
  H      -4.058539     -1.744536      5.880226
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.051752922776
  N      -3.406795     -3.496152      2.512727
  C      -2.789845     -4.122204      1.339725
  C      -2.561058     -5.598576      1.625096
  N      -3.737239     -6.172591      2.326040
  C      -4.896987     -6.373030      1.426007
  C      -6.201756     -6.378887      2.210789
  N      -6.264861     -5.251049      3.152670
  Mo     -4.447789     -4.625240      3.784982
  N      -3.470221     -5.858214      5.017427
  C      -2.702208     -6.956991      4.414989
  C      -3.388037     -7.377268      3.121249
  H      -2.666714     -7.823434      5.096654
  H      -1.653808     -6.662518      4.218368
  H      -4.327145     -7.892601      3.363271
  H      -2.755003     -8.066113      2.534458
  H      -7.021957     -6.314268      1.475014
  H      -6.334018     -7.340725      2.742128
  H      -4.907427     -5.531711      0.719850
  H      -4.790280     -7.305821      0.843674
  H      -1.819498     -3.653928      1.099198
  H      -3.431568     -3.980781      0.448650
  H      -1.701174     -5.703470      2.301311
  H      -2.343672     -6.161124      0.700188
  C      -3.419726     -2.083585      2.530927
  C      -2.237705     -1.323086      2.625086
  C      -2.281905      0.064763      2.755886
  C      -3.516670      0.696697      2.786176
  F      -3.551840      2.040424      2.968608
  C      -4.717680     -0.016958      2.669462
  C      -6.041240      0.615398      2.733262
  O      -7.103707      0.007975      2.819812
  C      -6.225130      2.127226      2.574609
  O      -6.151692      2.668660      1.497067
  C      -6.648253      2.846058      3.877000
  O      -6.496695      2.363086      4.959845
  Cl     -7.298704      4.472984      3.602632
  C      -4.644574     -1.412715      2.525940
  C      -7.543223     -4.971076      3.669318
  C      -8.653411     -5.814187      3.430147
  C      -9.921742     -5.517715      3.935787
  C     -10.104896     -4.375710      4.695714
  F     -11.328971     -4.106092      5.206028
  C      -9.022729     -3.530144      4.985834
  C      -9.201861     -2.326794      5.833724
  O     -10.112858     -1.519215      5.750896
  C      -8.163234     -2.134433      6.968631
  O      -7.329263     -2.949757      7.293375
  C      -8.330012     -0.846929      7.796040
  O      -9.161477     -0.670574      8.630988
  Cl     -7.007575      0.301019      7.442421
  C      -7.761212     -3.831397      4.466158
  C      -3.258376     -5.613822      6.390178
  C      -1.964747     -5.496077      6.942582
  C      -1.783175     -5.155027      8.281776
  C      -2.898761     -4.954621      9.082480
  F      -2.710298     -4.591106     10.375473
  C      -4.201838     -5.126580      8.592053
  C      -5.404321     -5.009049      9.428937
  O      -6.542871     -5.274076      9.057592
  C      -5.363346     -4.629591     10.913058
  O      -5.166124     -5.435706     11.789781
  C      -5.788943     -3.162522     11.167641
  O      -5.770661     -2.322867     10.317530
  Cl     -6.233114     -2.844141     12.860455
  C      -4.359196     -5.450532      7.233769
  H      -1.270225     -1.828411      2.635485
  H      -1.374388      0.659357      2.862379
  H      -5.576164     -1.975333      2.447671
  H      -8.546586     -6.730384      2.853153
  H     -10.768006     -6.179345      3.748914
  H      -6.939361     -3.150344      4.665246
  H      -1.089945     -5.634830      6.305680
  H      -0.788304     -5.028445      8.709273
  H      -5.371633     -5.558617      6.842157
  N      -4.750011     -3.286173      4.954783
  N      -4.924325     -2.340402      5.725683
  H      -4.081725     -1.769856      5.905582
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.052109214842
  N      -3.418808     -3.491775      2.518831
  C      -2.796270     -4.119706      1.348988
  C      -2.561605     -5.594846      1.634150
  N      -3.741584     -6.172029      2.330273
  C      -4.895432     -6.379000      1.423650
  C      -6.206107     -6.389793      2.201980
  N      -6.276583     -5.263728      3.146242
  Mo     -4.460706     -4.631058      3.786596
  N      -3.470205     -5.862837      5.017511
  C      -2.700095     -6.956473      4.415111
  C      -3.387771     -7.379511      3.122501
  H      -2.660065     -7.825137      5.094586
  H      -1.650871     -6.664078      4.218430
  H      -4.324648     -7.897535      3.366072
  H      -2.754377     -8.064904      2.532433
  H      -7.025239     -6.326743      1.465094
  H      -6.338654     -7.352608      2.731185
  H      -4.904048     -5.539884      0.715336
  H      -4.781229     -7.312159      0.843347
  H      -1.824766     -3.653710      1.107428
  H      -3.434116     -3.978342      0.455469
  H      -1.705808     -5.699871      2.315291
  H      -2.336794     -6.156617      0.710657
  C      -3.423209     -2.081217      2.538192
  C      -2.237703     -1.320375      2.613766
  C      -2.272827      0.066692      2.741190
  C      -3.506838      0.704454      2.790606
  F      -3.538830      2.049483      2.963541
  C      -4.709862     -0.007830      2.699593
  C      -6.027060      0.632938      2.793350
  O      -7.091622      0.029820      2.887735
  C      -6.210477      2.145221      2.618957
  O      -6.151595      2.678555      1.536199
  C      -6.576078      2.885045      3.928352
  O      -6.372337      2.419151      5.011501
  Cl     -7.199826      4.524682      3.657489
  C      -4.643528     -1.402018      2.553966
  C      -7.562726     -4.989648      3.656809
  C      -8.666003     -5.831822      3.407807
  C      -9.939506     -5.545083      3.904710
  C     -10.136999     -4.408887      4.669534
  F     -11.364321     -4.154785      5.170703
  C      -9.059458     -3.556256      4.971726
  C      -9.246772     -2.361746      5.831065
  O     -10.171538     -1.571404      5.751869
  C      -8.200378     -2.168953      6.961713
  O      -7.376980     -2.991208      7.292089
  C      -8.360908     -0.876498      7.759602
  O      -9.168581     -0.700394      8.622040
  Cl     -7.112016      0.312520      7.313157
  C      -7.792369     -3.852587      4.459004
  C      -3.252011     -5.611771      6.389064
  C      -1.959259     -5.494319      6.940747
  C      -1.774813     -5.150467      8.278196
  C      -2.886670     -4.947489      9.081145
  F      -2.692703     -4.582860     10.372520
  C      -4.191350     -5.120554      8.595175
  C      -5.386538     -4.998667      9.440205
  O      -6.529907     -5.256896      9.079606
  C      -5.336836     -4.588342     10.920397
  O      -5.141226     -5.371927     11.815941
  C      -5.749101     -3.110253     11.144618
  O      -5.727941     -2.291915     10.275803
  Cl     -6.173087     -2.747118     12.830861
  C      -4.352456     -5.447970      7.237454
  H      -1.270659     -1.827632      2.605379
  H      -1.361584      0.658765      2.828386
  H      -5.578624     -1.961197      2.489600
  H      -8.553067     -6.744529      2.825515
  H     -10.778309     -6.212533      3.705610
  H      -6.979611     -3.166699      4.664823
  H      -1.086178     -5.635410      6.301838
  H      -0.779246     -5.024427      8.704477
  H      -5.365882     -5.562999      6.850533
  N      -4.778532     -3.309692      4.958696
  N      -4.953451     -2.367269      5.734584
  H      -4.108321     -1.802603      5.916552
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.052923762561
  N      -3.436073     -3.496756      2.536198
  C      -2.807075     -4.115150      1.364327
  C      -2.567098     -5.590963      1.642867
  N      -3.746131     -6.177190      2.331088
  C      -4.894410     -6.382733      1.417775
  C      -6.208012     -6.399654      2.188256
  N      -6.285422     -5.279203      3.138109
  Mo     -4.475835     -4.645475      3.793916
  N      -3.481827     -5.875431      5.020864
  C      -2.709765     -6.967581      4.415669
  C      -3.393031     -7.385957      3.119959
  H      -2.670855     -7.837459      5.093412
  H      -1.660910     -6.672068      4.221893
  H      -4.330567     -7.905340      3.359201
  H      -2.757647     -8.069304      2.529545
  H      -7.021865     -6.332836      1.445912
  H      -6.342473     -7.365973      2.710840
  H      -4.901612     -5.539586      0.714012
  H      -4.774169     -7.312750      0.833749
  H      -1.837937     -3.641233      1.129866
  H      -3.443553     -3.972713      0.469934
  H      -1.712624     -5.694536      2.325876
  H      -2.336874     -6.146477      0.716841
  C      -3.435881     -2.085268      2.566497
  C      -2.245069     -1.333480      2.635102
  C      -2.271397      0.054121      2.764405
  C      -3.500947      0.697768      2.822997
  F      -3.523625      2.043261      2.997252
  C      -4.709493     -0.007159      2.742969
  C      -6.021915      0.642892      2.850611
  O      -7.086524      0.050306      2.992329
  C      -6.190792      2.153691      2.652967
  O      -6.170031      2.660789      1.556607
  C      -6.507771      2.923816      3.956368
  O      -6.268684      2.479167      5.041035
  Cl     -7.152431      4.551947      3.674364
  C      -4.653147     -1.401713      2.596567
  C      -7.574135     -5.008998      3.638501
  C      -8.676621     -5.850200      3.371449
  C      -9.954924     -5.564202      3.856185
  C     -10.158004     -4.432313      4.625333
  F     -11.391518     -4.176294      5.114180
  C      -9.083303     -3.585302      4.946070
  C      -9.276654     -2.394717      5.807568
  O     -10.200324     -1.601455      5.732492
  C      -8.242589     -2.200902      6.945920
  O      -7.420045     -3.018272      7.287178
  C      -8.409509     -0.900793      7.741867
  O      -9.188907     -0.732381      8.629266
  Cl     -7.193207      0.304454      7.242087
  C      -7.810311     -3.879128      4.446708
  C      -3.251360     -5.618680      6.388637
  C      -1.952372     -5.496265      6.925488
  C      -1.755104     -5.141227      8.258615
  C      -2.860299     -4.928936      9.069705
  F      -2.654947     -4.549252     10.355397
  C      -4.169429     -5.104455      8.596196
  C      -5.361208     -4.965460      9.444130
  O      -6.503557     -5.242311      9.094944
  C      -5.305284     -4.530973     10.915375
  O      -5.114945     -5.301092     11.824430
  C      -5.693638     -3.042949     11.111949
  O      -5.665095     -2.241964     10.225958
  Cl     -6.101233     -2.639685     12.794068
  C      -4.342699     -5.447269      7.244789
  H      -1.281596     -1.846807      2.619910
  H      -1.355859      0.640198      2.846351
  H      -5.591679     -1.955742      2.541308
  H      -8.557534     -6.759280      2.785262
  H     -10.793474     -6.228128      3.644453
  H      -6.996343     -3.195940      4.665858
  H      -1.085161     -5.642399      6.279765
  H      -0.755311     -5.011738      8.673753
  H      -5.359735     -5.560824      6.866866
  N      -4.796002     -3.324514      4.972097
  N      -4.974734     -2.386960      5.751877
  H      -4.131370     -1.821887      5.942989
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.053578827529
  N      -3.457427     -3.501048      2.545247
  C      -2.823487     -4.113763      1.372533
  C      -2.574735     -5.588454      1.649484
  N      -3.750649     -6.183194      2.333598
  C      -4.894524     -6.393406      1.416422
  C      -6.210000     -6.415161      2.181106
  N      -6.295681     -5.296846      3.132635
  Mo     -4.492182     -4.656980      3.798330
  N      -3.489312     -5.879002      5.023531
  C      -2.713683     -6.969688      4.418165
  C      -3.393986     -7.389733      3.122184
  H      -2.672925     -7.838399      5.097051
  H      -1.665937     -6.669944      4.225065
  H      -4.330457     -7.911907      3.360749
  H      -2.756271     -8.071229      2.532103
  H      -7.019551     -6.348439      1.434116
  H      -6.344301     -7.383298      2.700648
  H      -4.902846     -5.549899      0.712867
  H      -4.767623     -7.323078      0.833352
  H      -1.858301     -3.631481      1.140353
  H      -3.461036     -3.975015      0.478311
  H      -1.720667     -5.686548      2.333821
  H      -2.339355     -6.140930      0.722900
  C      -3.448658     -2.088740      2.583821
  C      -2.250043     -1.348886      2.631929
  C      -2.261933      0.039344      2.760227
  C      -3.483805      0.693111      2.839636
  F      -3.490653      2.039698      3.008429
  C      -4.700465     -0.000939      2.785286
  C      -6.004811      0.662154      2.919581
  O      -7.070094      0.081891      3.098260
  C      -6.158009      2.173250      2.712981
  O      -6.176567      2.667065      1.610969
  C      -6.422282      2.959555      4.017506
  O      -6.147080      2.523615      5.096870
  Cl     -7.081657      4.581713      3.744937
  C      -4.659886     -1.396398      2.639243
  C      -7.587343     -5.032063      3.623807
  C      -8.686827     -5.876534      3.343747
  C      -9.969958     -5.593444      3.817358
  C     -10.181177     -4.463427      4.586646
  F     -11.420823     -4.207616      5.064114
  C      -9.111947     -3.616929      4.919970
  C      -9.314733     -2.428496      5.779992
  O     -10.242244     -1.638148      5.708248
  C      -8.290894     -2.225254      6.923408
  O      -7.469988     -3.038324      7.281414
  C      -8.462771     -0.909905      7.703314
  O      -9.198564     -0.743003      8.625447
  Cl     -7.306346      0.316522      7.109993
  C      -7.833135     -3.907066      4.433559
  C      -3.248636     -5.616258      6.387442
  C      -1.944643     -5.484134      6.911267
  C      -1.735736     -5.119900      8.240088
  C      -2.834257     -4.907802      9.060290
  F      -2.619127     -4.519127     10.342024
  C      -4.146604     -5.093921      8.600293
  C      -5.332095     -4.955030      9.457607
  O      -6.474761     -5.245263      9.120891
  C      -5.267112     -4.482792     10.915496
  O      -5.076256     -5.231526     11.842674
  C      -5.664273     -2.993653     11.077587
  O      -5.648820     -2.215391     10.170692
  Cl     -6.062334     -2.550746     12.752646
  C      -4.331877     -5.446063      7.252907
  H      -1.291990     -1.870957      2.600023
  H      -1.339510      0.616659      2.824664
  H      -5.603839     -1.942227      2.602087
  H      -8.559894     -6.783777      2.756927
  H     -10.806160     -6.257506      3.596742
  H      -7.020810     -3.222397      4.662443
  H      -1.082482     -5.629611      6.258719
  H      -0.732297     -4.983350      8.643910
  H      -5.351940     -5.565620      6.885241
  N      -4.817356     -3.335034      4.979639
  N      -5.001817     -2.399375      5.759889
  H      -4.161230     -1.831778      5.957695
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.054181899768
  N      -3.476050     -3.505273      2.559035
  C      -2.836340     -4.108623      1.383560
  C      -2.579743     -5.583333      1.653525
  N      -3.753200     -6.186471      2.332578
  C      -4.894747     -6.395836      1.411992
  C      -6.211718     -6.426907      2.172110
  N      -6.306760     -5.314549      3.130027
  Mo     -4.509774     -4.670343      3.804236
  N      -3.500493     -5.887379      5.023231
  C      -2.720934     -6.976188      4.416497
  C      -3.395156     -7.394564      3.117706
  H      -2.678532     -7.844710      5.095442
  H      -1.673337     -6.673204      4.227495
  H      -4.331312     -7.919522      3.352367
  H      -2.755340     -8.072850      2.526369
  H      -7.018240     -6.358210      1.422135
  H      -6.343934     -7.399154      2.684606
  H      -4.903561     -5.547296      0.714525
  H      -4.761933     -7.321726      0.824365
  H      -1.875130     -3.617232      1.155992
  H      -3.474099     -3.970307      0.489640
  H      -1.726082     -5.680327      2.338555
  H      -2.339783     -6.130242      0.724787
  C      -3.457464     -2.092840      2.606306
  C      -2.250916     -1.364337      2.641528
  C      -2.246532      0.023445      2.770421
  C      -3.460232      0.689997      2.862421
  F      -3.450817      2.036685      3.027003
  C      -4.684696      0.008341      2.822399
  C      -5.980997      0.687074      2.966989
  O      -7.048834      0.120978      3.171332
  C      -6.116882      2.202324      2.768632
  O      -6.152132      2.702310      1.670507
  C      -6.349114      2.984352      4.081683
  O      -6.054786      2.541083      5.152470
  Cl     -7.003675      4.611260      3.831653
  C      -4.660392     -1.388039      2.678699
  C      -7.603178     -5.058951      3.612679
  C      -8.696955     -5.907733      3.318738
  C      -9.984573     -5.632336      3.783243
  C     -10.206989     -4.508021      4.557231
  F     -11.452734     -4.261620      5.025821
  C      -9.146224     -3.658714      4.905846
  C      -9.357671     -2.477140      5.771372
  O     -10.294879     -1.696845      5.708073
  C      -8.338983     -2.267554      6.916698
  O      -7.520729     -3.076810      7.286480
  C      -8.517433     -0.942233      7.682232
  O      -9.209112     -0.778246      8.637426
  Cl     -7.437341      0.313207      7.000903
  C      -7.861743     -3.940594      4.427059
  C      -3.248274     -5.620237      6.384439
  C      -1.940306     -5.484206      6.896625
  C      -1.721733     -5.109302      8.221454
  C      -2.815070     -4.886319      9.047697
  F      -2.590563     -4.483121     10.323236
  C      -4.130707     -5.074288      8.596661
  C      -5.317117     -4.914599      9.449993
  O      -6.458484     -5.212160      9.116614
  C      -5.254798     -4.409104     10.896404
  O      -5.073267     -5.134387     11.844193
  C      -5.610631     -2.904855     11.017440
  O      -5.573715     -2.152940     10.087896
  Cl     -5.991411     -2.404152     12.679342
  C      -4.323826     -5.442301      7.256489
  H      -1.299585     -1.897424      2.596822
  H      -1.316242      0.589027      2.824021
  H      -5.610007     -1.924309      2.650559
  H      -8.558645     -6.810730      2.728284
  H     -10.816203     -6.298689      3.552339
  H      -7.051089     -3.256595      4.668243
  H      -1.082423     -5.634216      6.239322
  H      -0.714807     -4.970683      8.615730
  H      -5.345925     -5.563115      6.895083
  N      -4.841367     -3.356950      4.991488
  N      -5.031252     -2.429736      5.780595
  H      -4.193832     -1.860677      5.987565
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.054685470349
  N      -3.495596     -3.505439      2.559828
  C      -2.852056     -4.108652      1.385668
  C      -2.586481     -5.580984      1.657775
  N      -3.757620     -6.189646      2.335484
  C      -4.895864     -6.407464      1.412801
  C      -6.214606     -6.443475      2.169740
  N      -6.318238     -5.330691      3.126722
  Mo     -4.525491     -4.676268      3.804590
  N      -3.504365     -5.883466      5.023956
  C      -2.720798     -6.970483      4.419602
  C      -3.394007     -7.394759      3.122371
  H      -2.674633     -7.837105      5.100778
  H      -1.674337     -6.664156      4.229900
  H      -4.327688     -7.923356      3.358505
  H      -2.751682     -8.071397      2.531840
  H      -7.019218     -6.378739      1.417356
  H      -6.344413     -7.415851      2.682441
  H      -4.907344     -5.561612      0.712240
  H      -4.756974     -7.334695      0.828651
  H      -1.893789     -3.613045      1.155881
  H      -3.490814     -3.975651      0.491705
  H      -1.733265     -5.672089      2.344173
  H      -2.342016     -6.127962      0.730219
  C      -3.464818     -2.093641      2.611713
  C      -2.251224     -1.375162      2.621842
  C      -2.231338      0.012429      2.748374
  C      -3.436757      0.690501      2.864014
  F      -3.411977      2.037743      3.023572
  C      -4.667451      0.019606      2.850785
  C      -5.953840      0.710885      3.020946
  O      -7.024581      0.154314      3.235249
  C      -6.078109      2.228528      2.831195
  O      -6.134282      2.735170      1.736895
  C      -6.264860      3.007186      4.154095
  O      -5.943008      2.556301      5.214333
  Cl     -6.906507      4.642720      3.929998
  C      -4.659196     -1.377085      2.708839
  C      -7.618709     -5.081697      3.602352
  C      -8.706749     -5.935509      3.301631
  C      -9.998623     -5.666781      3.757725
  C     -10.231943     -4.543684      4.530309
  F     -11.481852     -4.304587      4.990499
  C      -9.177360     -3.688928      4.886051
  C      -9.399515     -2.510947      5.752712
  O     -10.347214     -1.742572      5.695164
  C      -8.384460     -2.291502      6.898286
  O      -7.572670     -3.100188      7.282077
  C      -8.562313     -0.953281      7.638594
  O      -9.197649     -0.781326      8.630749
  Cl     -7.570683      0.313816      6.850177
  C      -7.888294     -3.965562      4.416039
  C      -3.245617     -5.609295      6.382576
  C      -1.935898     -5.462578      6.887683
  C      -1.711199     -5.081274      8.209239
  C      -2.799776     -4.862712      9.041603
  F      -2.569795     -4.454713     10.314499
  C      -4.116661     -5.061253      8.600167
  C      -5.296693     -4.905332      9.462958
  O      -6.437708     -5.220329      9.144792
  C      -5.224402     -4.373412     10.900099
  O      -5.034013     -5.080694     11.859440
  C      -5.592140     -2.870413     10.998369
  O      -5.575280     -2.136743     10.054513
  Cl     -5.953965     -2.341414     12.654969
  C      -4.316935     -5.435517      7.261889
  H      -1.305547     -1.916470      2.558584
  H      -1.294770      0.569200      2.781618
  H      -5.614226     -1.904289      2.699487
  H      -8.560535     -6.837832      2.711961
  H     -10.825098     -6.337551      3.521230
  H      -7.083568     -3.277381      4.663330
  H      -1.080717     -5.609390      6.226222
  H      -0.702525     -4.935331      8.596345
  H      -5.340601     -5.565636      6.908290
  N      -4.867748     -3.367192      4.992453
  N      -5.063198     -2.441774      5.782627
  H      -4.227596     -1.871709      5.993768
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.055057964120
  N      -3.511211     -3.501083      2.562111
  C      -2.867459     -4.099547      1.384295
  C      -2.593375     -5.570600      1.652375
  N      -3.758700     -6.183359      2.333138
  C      -4.901914     -6.402771      1.415773
  C      -6.217728     -6.449439      2.177377
  N      -6.329805     -5.339419      3.137770
  Mo     -4.540989     -4.675206      3.807062
  N      -3.512243     -5.872941      5.020350
  C      -2.722401     -6.958349      4.417441
  C      -3.390213     -7.386932      3.119727
  H      -2.671791     -7.822014      5.101836
  H      -1.677240     -6.646117      4.230690
  H      -4.321421     -7.920604      3.354253
  H      -2.744744     -8.060588      2.529346
  H      -7.024218     -6.388253      1.426704
  H      -6.339018     -7.424175      2.687355
  H      -4.919666     -5.553530      0.719644
  H      -4.761507     -7.327333      0.827706
  H      -1.914442     -3.596520      1.151604
  H      -3.511009     -3.969930      0.493452
  H      -1.736974     -5.659534      2.335217
  H      -2.349910     -6.115842      0.723472
  C      -3.464357     -2.090183      2.617105
  C      -2.239422     -1.388227      2.617292
  C      -2.195274     -0.002212      2.740585
  C      -3.387544      0.697921      2.855263
  F      -3.337711      2.044782      3.003979
  C      -4.629293      0.048431      2.841798
  C      -5.904907      0.765240      2.982260
  O      -6.995139      0.229075      3.144243
  C      -5.997404      2.290751      2.828774
  O      -6.001669      2.833065      1.750708
  C      -6.234885      3.032370      4.166402
  O      -5.973319      2.546093      5.226923
  Cl     -6.827276      4.689184      3.960151
  C      -4.645449     -1.351167      2.714855
  C      -7.633728     -5.102969      3.612006
  C      -8.713051     -5.968162      3.311141
  C     -10.006552     -5.712764      3.768065
  C     -10.251477     -4.593245      4.542447
  F     -11.504354     -4.372129      5.003686
  C      -9.207802     -3.726195      4.899888
  C      -9.440474     -2.555379      5.771889
  O     -10.407715     -1.810175      5.730797
  C      -8.423388     -2.320813      6.911924
  O      -7.613898     -3.125357      7.306426
  C      -8.608935     -0.974124      7.634025
  O      -9.182549     -0.796247      8.661312
  Cl     -7.717900      0.312259      6.749291
  C      -7.916726     -3.990053      4.424990
  C      -3.247943     -5.600727      6.379189
  C      -1.937634     -5.443947      6.879201
  C      -1.708849     -5.064308      8.200255
  C      -2.793935     -4.856669      9.039794
  F      -2.560207     -4.452494     10.312628
  C      -4.110954     -5.064632      8.604354
  C      -5.290165     -4.919042      9.471141
  O      -6.430906     -5.232437      9.151162
  C      -5.216460     -4.367807     10.901526
  O      -5.025262     -5.062088     11.870023
  C      -5.580271     -2.862809     10.983808
  O      -5.566200     -2.142968     10.029634
  Cl     -5.930159     -2.311197     12.633569
  C      -4.315203     -5.436865      7.266149
  H      -1.304026     -1.946634      2.550001
  H      -1.247656      0.535906      2.767945
  H      -5.609606     -1.861608      2.704386
  H      -8.554402     -6.868319      2.721332
  H     -10.826358     -6.391873      3.532180
  H      -7.115656     -3.300145      4.678422
  H      -1.083490     -5.581823      6.214383
  H      -0.698418     -4.912962      8.580593
  H      -5.338991     -5.577185      6.916810
  N      -4.891783     -3.376608      4.999347
  N      -5.094346     -2.461497      5.801128
  H      -4.264432     -1.886220      6.019268
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.055381965500
  N      -3.526680     -3.497601      2.562702
  C      -2.882601     -4.098014      1.385935
  C      -2.601580     -5.566801      1.656021
  N      -3.765714     -6.184621      2.334887
  C      -4.904104     -6.412866      1.414743
  C      -6.221620     -6.464209      2.173684
  N      -6.340860     -5.353788      3.132995
  Mo     -4.553768     -4.679054      3.805493
  N      -3.513281     -5.869908      5.020861
  C      -2.722603     -6.954264      4.419120
  C      -3.392483     -7.386039      3.122958
  H      -2.670613     -7.818010      5.103395
  H      -1.678419     -6.640593      4.229672
  H      -4.321364     -7.922705      3.359153
  H      -2.744514     -8.058275      2.533457
  H      -7.026611     -6.407835      1.421028
  H      -6.340347     -7.438426      2.685001
  H      -4.925094     -5.568067      0.713391
  H      -4.758818     -7.339328      0.830657
  H      -1.930870     -3.594978      1.147918
  H      -3.528049     -3.971820      0.495879
  H      -1.745979     -5.650444      2.340501
  H      -2.354355     -6.111940      0.728022
  C      -3.465853     -2.088481      2.626938
  C      -2.235271     -1.396547      2.611037
  C      -2.178769     -0.010939      2.736093
  C      -3.364190      0.698447      2.869157
  F      -3.301490      2.044829      3.021667
  C      -4.610776      0.058302      2.871935
  C      -5.879541      0.783090      3.022586
  O      -6.973699      0.254423      3.186097
  C      -5.964956      2.307967      2.872161
  O      -5.974100      2.851343      1.794094
  C      -6.171296      3.052670      4.213465
  O      -5.901817      2.562281      5.270815
  Cl     -6.740039      4.719251      4.015371
  C      -4.639578     -1.340488      2.743076
  C      -7.647623     -5.122902      3.603393
  C      -8.722155     -5.991090      3.296312
  C     -10.019782     -5.742418      3.746294
  C     -10.274066     -4.624435      4.520370
  F     -11.529385     -4.408930      4.974530
  C      -9.233476     -3.754097      4.884285
  C      -9.479885     -2.589831      5.761977
  O     -10.459012     -1.859382      5.731442
  C      -8.465968     -2.348549      6.904304
  O      -7.664461     -3.156602      7.310382
  C      -8.643918     -0.995337      7.611509
  O      -9.153670     -0.807950      8.670444
  Cl     -7.829064      0.282581      6.647599
  C      -7.938643     -4.012432      4.417840
  C      -3.243733     -5.586176      6.377030
  C      -1.931739     -5.423543      6.869809
  C      -1.700661     -5.037568      8.189235
  C      -2.784341     -4.830183      9.031518
  F      -2.548702     -4.421382     10.302754
  C      -4.102404     -5.043704      8.601541
  C      -5.280269     -4.897421      9.470167
  O      -6.418910     -5.226333      9.158231
  C      -5.206230     -4.337767     10.897223
  O      -5.023245     -5.025858     11.871469
  C      -5.543722     -2.825572     10.960295
  O      -5.520696     -2.118030      9.996671
  Cl     -5.882661     -2.246834     12.603395
  C      -4.308659     -5.422171      7.265922
  H      -1.303931     -1.960118      2.531300
  H      -1.227573      0.521437      2.750822
  H      -5.608194     -1.842450      2.743769
  H      -8.559786     -6.890521      2.706345
  H     -10.835080     -6.424902      3.504735
  H      -7.144223     -3.318456      4.678552
  H      -1.079940     -5.561955      6.202179
  H      -0.689969     -4.881109      8.566903
  H      -5.333422     -5.567342      6.921493
  N      -4.915815     -3.387226      5.002120
  N      -5.123313     -2.477390      5.808020
  H      -4.293460     -1.903882      6.031008
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.055609968473
  N      -3.547038     -3.495315      2.559285
  C      -2.902254     -4.094987      1.381757
  C      -2.611169     -5.561820      1.653583
  N      -3.770750     -6.185223      2.334304
  C      -4.907590     -6.421985      1.414758
  C      -6.224797     -6.480807      2.172727
  N      -6.351490     -5.370443      3.131118
  Mo     -4.569186     -4.680899      3.802127
  N      -3.519881     -5.859824      5.019019
  C      -2.724264     -6.943105      4.420804
  C      -3.391536     -7.381923      3.125914
  H      -2.669139     -7.803923      5.108389
  H      -1.681830     -6.624274      4.230705
  H      -4.317506     -7.923232      3.363011
  H      -2.739448     -8.052631      2.539130
  H      -7.029272     -6.429929      1.419203
  H      -6.338014     -7.455227      2.684922
  H      -4.934009     -5.578261      0.712303
  H      -4.756528     -7.348108      0.831477
  H      -1.954702     -3.586557      1.139599
  H      -3.551231     -3.974362      0.493596
  H      -1.753879     -5.638873      2.336730
  H      -2.361826     -6.106635      0.725875
  C      -3.469667     -2.087037      2.633817
  C      -2.230657     -1.410394      2.607093
  C      -2.157189     -0.025749      2.736285
  C      -3.333507      0.696678      2.884588
  F      -3.253837      2.041489      3.043975
  C      -4.587408      0.070598      2.897008
  C      -5.848657      0.807760      3.048889
  O      -6.950094      0.289992      3.199546
  C      -5.917607      2.334292      2.910294
  O      -5.928317      2.885907      1.836442
  C      -6.116763      3.069914      4.257994
  O      -5.865281      2.563801      5.312512
  Cl     -6.655473      4.748156      4.072585
  C      -4.633105     -1.326901      2.765244
  C      -7.660462     -5.147011      3.597142
  C      -8.729362     -6.021577      3.286957
  C     -10.029694     -5.779739      3.732004
  C     -10.293185     -4.662747      4.504211
  F     -11.551603     -4.454527      4.952736
  C      -9.258564     -3.786757      4.872078
  C      -9.512320     -2.625891      5.750453
  O     -10.503675     -1.911048      5.734418
  C      -8.502091     -2.368918      6.890866
  O      -7.707799     -3.172721      7.317335
  C      -8.676702     -1.000518      7.573776
  O      -9.119629     -0.787632      8.656662
  Cl     -7.936108      0.258942      6.523682
  C      -7.960603     -4.038454      4.410192
  C      -3.247970     -5.570906      6.373564
  C      -1.935102     -5.395031      6.860052
  C      -1.700321     -5.006842      8.177825
  C      -2.781026     -4.807846      9.024836
  F      -2.542759     -4.395737     10.294780
  C      -4.099307     -5.030164      8.601313
  C      -5.272541     -4.885623      9.476580
  O      -6.410028     -5.227602      9.175519
  C      -5.186959     -4.318599     10.900535
  O      -5.008188     -5.004603     11.877074
  C      -5.506673     -2.802708     10.958483
  O      -5.489419     -2.102206      9.989831
  Cl     -5.816245     -2.209553     12.602134
  C      -4.310167     -5.413592      7.267155
  H      -1.306530     -1.984223      2.518317
  H      -1.199797      0.495534      2.743764
  H      -5.607376     -1.817496      2.773615
  H      -8.559950     -6.920631      2.698465
  H     -10.840748     -6.466502      3.488229
  H      -7.171109     -3.340186      4.676054
  H      -1.085070     -5.526481      6.188859
  H      -0.688912     -4.841909      8.549933
  H      -5.335684     -5.565953      6.928019
  N      -4.941050     -3.390956      4.999001
  N      -5.155042     -2.484972      5.807015
  H      -4.328817     -1.908050      6.035079
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.055797206090
  N      -3.559563     -3.490337      2.572352
  C      -2.914830     -4.084088      1.391568
  C      -2.620318     -5.551802      1.655691
  N      -3.779518     -6.180846      2.332488
  C      -4.913588     -6.416987      1.409670
  C      -6.232242     -6.485103      2.164428
  N      -6.364478     -5.380371      3.128656
  Mo     -4.584566     -4.684665      3.804428
  N      -3.530371     -5.862601      5.018124
  C      -2.732702     -6.942588      4.417395
  C      -3.398526     -7.379135      3.120853
  H      -2.676883     -7.805606      5.102255
  H      -1.690713     -6.621546      4.228440
  H      -4.323258     -7.923638      3.355123
  H      -2.743748     -8.046596      2.533334
  H      -7.035694     -6.434038      1.409961
  H      -6.342450     -7.462430      2.671772
  H      -4.941792     -5.569184      0.712206
  H      -4.758149     -7.338596      0.820285
  H      -1.968282     -3.573665      1.149802
  H      -3.564905     -3.959870      0.504855
  H      -1.763174     -5.630811      2.338724
  H      -2.369136     -6.090825      0.725091
  C      -3.467139     -2.084056      2.663392
  C      -2.221439     -1.418859      2.651873
  C      -2.136834     -0.035425      2.789293
  C      -3.308928      0.697124      2.928399
  F      -3.220637      2.040667      3.094092
  C      -4.568095      0.081893      2.924186
  C      -5.825148      0.830363      3.048648
  O      -6.933941      0.322867      3.182235
  C      -5.880810      2.355192      2.891005
  O      -5.866896      2.892993      1.810009
  C      -6.102338      3.108025      4.225118
  O      -5.884372      2.610406      5.290662
  Cl     -6.612758      4.792458      4.006855
  C      -4.624238     -1.314083      2.787875
  C      -7.675961     -5.163027      3.591593
  C      -8.740886     -6.037193      3.270463
  C     -10.044219     -5.802494      3.709960
  C     -10.315677     -4.692180      4.488689
  F     -11.576776     -4.491765      4.930151
  C      -9.284300     -3.816402      4.869737
  C      -9.546319     -2.663981      5.755253
  O     -10.552971     -1.970160      5.756247
  C      -8.535715     -2.393327      6.892126
  O      -7.748342     -3.193565      7.338248
  C      -8.704342     -1.015423      7.556366
  O      -9.100612     -0.781419      8.652970
  Cl     -8.021612      0.227507      6.447573
  C      -7.982656     -4.060614      4.412172
  C      -3.250256     -5.569073      6.370768
  C      -1.934840     -5.383866      6.846162
  C      -1.691993     -4.992869      8.161584
  C      -2.767250     -4.799455      9.016258
  F      -2.521594     -4.385394     10.284621
  C      -4.087524     -5.029568      8.603762
  C      -5.252824     -4.887047      9.490048
  O      -6.392429     -5.229948      9.199351
  C      -5.153162     -4.303580     10.907874
  O      -4.989127     -4.981227     11.892397
  C      -5.441112     -2.780694     10.947101
  O      -5.419610     -2.095632      9.967679
  Cl     -5.727021     -2.157801     12.583671
  C      -4.307017     -5.416655      7.271997
  H      -1.301244     -1.999790      2.569020
  H      -1.175387      0.477963      2.808672
  H      -5.603101     -1.795425      2.781540
  H      -8.566791     -6.932153      2.677030
  H     -10.851877     -6.489825      3.456677
  H      -7.195031     -3.365399      4.691013
  H      -1.089549     -5.510301      6.168121
  H      -0.678892     -4.821127      8.525978
  H      -5.334445     -5.574397      6.941249
  N      -4.963204     -3.405236      5.009261
  N      -5.180159     -2.509306      5.827503
  H      -4.355202     -1.933660      6.063127
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.056004584268
  N      -3.578558     -3.482005      2.554348
  C      -2.935613     -4.080401      1.375154
  C      -2.631496     -5.544912      1.646565
  N      -3.784492     -6.178439      2.330260
  C      -4.917306     -6.431573      1.411360
  C      -6.233388     -6.505744      2.169095
  N      -6.370625     -5.397303      3.127845
  Mo     -4.594519     -4.676415      3.792536
  N      -3.531652     -5.839501      5.012640
  C      -2.727245     -6.917808      4.418243
  C      -3.391970     -7.367753      3.125742
  H      -2.665550     -7.776288      5.108144
  H      -1.688020     -6.590601      4.225154
  H      -4.311529     -7.918740      3.365208
  H      -2.731888     -8.033258      2.541874
  H      -7.038981     -6.465050      1.416400
  H      -6.335000     -7.481155      2.682268
  H      -4.955278     -5.589103      0.707580
  H      -4.754359     -7.355415      0.827460
  H      -1.993167     -3.566596      1.124849
  H      -3.590729     -3.965192      0.491011
  H      -1.771917     -5.614342      2.327549
  H      -2.379672     -6.086976      0.717963
  C      -3.468668     -2.076976      2.654883
  C      -2.215856     -1.426455      2.644071
  C      -2.117229     -0.043950      2.786953
  C      -3.281145      0.700252      2.929458
  F      -3.179006      2.042428      3.097627
  C      -4.547247      0.098921      2.923267
  C      -5.797839      0.859326      3.041511
  O      -6.913137      0.362090      3.160822
  C      -5.835184      2.386716      2.915353
  O      -5.825234      2.945055      1.844883
  C      -6.037416      3.112363      4.266598
  O      -5.838027      2.582157      5.319335
  Cl     -6.506534      4.813943      4.088496
  C      -4.617909     -1.296092      2.782230
  C      -7.681761     -5.188619      3.594672
  C      -8.741151     -6.072167      3.279987
  C     -10.044896     -5.845923      3.723155
  C     -10.322803     -4.735839      4.499812
  F     -11.583909     -4.544532      4.945090
  C      -9.296514     -3.851405      4.874783
  C      -9.564074     -2.704562      5.764270
  O     -10.585953     -2.032791      5.791992
  C      -8.549941     -2.413423      6.890841
  O      -7.773875     -3.209628      7.360314
  C      -8.703033     -1.017812      7.528606
  O      -9.059162     -0.748255      8.629788
  Cl     -8.044007      0.188865      6.361307
  C      -7.994777     -4.086744      4.413345
  C      -3.261817     -5.543024      6.366394
  C      -1.949515     -5.344075      6.845137
  C      -1.713888     -4.955269      8.162520
  C      -2.794251     -4.777592      9.013959
  F      -2.557435     -4.366247     10.285800
  C      -4.110926     -5.019653      8.597140
  C      -5.277186     -4.888174      9.483916
  O      -6.414978     -5.233789      9.190810
  C      -5.172550     -4.310446     10.904643
  O      -5.036278     -4.996788     11.887409
  C      -5.410538     -2.779063     10.947201
  O      -5.378710     -2.093907      9.967793
  Cl     -5.663628     -2.149489     12.587240
  C      -4.323488     -5.404599      7.263635
  H      -1.301203     -2.015263      2.557653
  H      -1.151257      0.460797      2.805972
  H      -5.601806     -1.766563      2.771881
  H      -8.563789     -6.968140      2.689142
  H     -10.848219     -6.540183      3.474858
  H      -7.214062     -3.381502      4.688044
  H      -1.101750     -5.457996      6.168006
  H      -0.704090     -4.772616      8.530721
  H      -5.348713     -5.570222      6.930144
  N      -4.982532     -3.395137      4.994379
  N      -5.210256     -2.503829      5.814127
  H      -4.391385     -1.920877      6.053930
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.056225069166
  N      -3.589965     -3.476827      2.559701
  C      -2.945490     -4.069210      1.378585
  C      -2.639937     -5.534715      1.643576
  N      -3.792034     -6.172927      2.325250
  C      -4.923231     -6.427374      1.404718
  C      -6.239019     -6.511733      2.161737
  N      -6.380678     -5.409158      3.126160
  Mo     -4.608354     -4.675480      3.789411
  N      -3.544198     -5.836793      5.007960
  C      -2.735422     -6.911517      4.413053
  C      -3.396304     -7.362353      3.118994
  H      -2.671147     -7.770571      5.102082
  H      -1.696735     -6.581340      4.221673
  H      -4.314251     -7.916924      3.356515
  H      -2.733204     -8.024402      2.534733
  H      -7.045260     -6.471502      1.409788
  H      -6.335396     -7.490301      2.670115
  H      -4.964912     -5.580053      0.706762
  H      -4.754380     -7.346274      0.814842
  H      -2.004002     -3.551853      1.131623
  H      -3.600366     -3.951345      0.494632
  H      -1.780368     -5.606393      2.324329
  H      -2.387182     -6.072112      0.712547
  C      -3.468247     -2.074019      2.674860
  C      -2.210060     -1.434979      2.695866
  C      -2.102630     -0.054421      2.851908
  C      -3.262875      0.699109      2.973783
  F      -3.154284      2.039188      3.152428
  C      -4.533804      0.109034      2.936732
  C      -5.779642      0.880929      3.033782
  O      -6.900715      0.392288      3.131000
  C      -5.801459      2.408652      2.902902
  O      -5.772732      2.963791      1.831300
  C      -6.019399      3.135479      4.250548
  O      -5.844269      2.602057      5.305726
  Cl     -6.468244      4.842633      4.064836
  C      -4.613014     -1.284188      2.784886
  C      -7.692198     -5.209351      3.595780
  C      -8.747269     -6.095757      3.275674
  C     -10.051876     -5.879181      3.720693
  C     -10.336179     -4.776160      4.504677
  F     -11.598647     -4.595774      4.949577
  C      -9.314544     -3.888472      4.885960
  C      -9.586158     -2.745967      5.777947
  O     -10.620211     -2.093167      5.824897
  C      -8.564231     -2.427503      6.889092
  O      -7.797771     -3.214697      7.388847
  C      -8.707715     -1.013351      7.488701
  O      -9.048747     -0.708288      8.585038
  Cl     -8.052823      0.159581      6.280689
  C      -8.011035     -4.114028      4.421888
  C      -3.272848     -5.539091      6.361718
  C      -1.960140     -5.329502      6.834136
  C      -1.720873     -4.937554      8.149915
  C      -2.799668     -4.767138      9.005011
  F      -2.560670     -4.352144     10.275963
  C      -4.116393     -5.018711      8.594036
  C      -5.278594     -4.888874      9.487076
  O      -6.415358     -5.242805      9.202482
  C      -5.160614     -4.299624     10.903747
  O      -5.052995     -4.979757     11.894144
  C      -5.340641     -2.759492     10.931117
  O      -5.295256     -2.087723      9.942748
  Cl     -5.551203     -2.102420     12.565794
  C      -4.332118     -5.407764      7.262829
  H      -1.299131     -2.031284      2.620978
  H      -1.133047      0.441813      2.895460
  H      -5.600231     -1.746716      2.750403
  H      -8.565163     -6.987188      2.679420
  H     -10.851326     -6.576245      3.467707
  H      -7.232371     -3.408380      4.703284
  H      -1.115259     -5.436496      6.152204
  H      -0.711037     -4.746507      8.513649
  H      -5.357620     -5.579963      6.933507
  N      -5.001602     -3.401747      4.994291
  N      -5.235690     -2.517662      5.820331
  H      -4.421028     -1.930578      6.064400
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.056475356881
  N      -3.604484     -3.467205      2.556025
  C      -2.957706     -4.057995      1.375442
  C      -2.649383     -5.522524      1.639495
  N      -3.799107     -6.164326      2.322027
  C      -4.929477     -6.426242      1.402462
  C      -6.243434     -6.519111      2.161978
  N      -6.389785     -5.420084      3.129281
  Mo     -4.621468     -4.666937      3.784209
  N      -3.551897     -5.822256      5.002628
  C      -2.737645     -6.893780      4.409689
  C      -3.396413     -7.350697      3.116786
  H      -2.668112     -7.750935      5.100598
  H      -1.700303     -6.559536      4.217692
  H      -4.311304     -7.909446      3.356344
  H      -2.730753     -8.009808      2.532231
  H      -7.051471     -6.481661      1.411696
  H      -6.333241     -7.499507      2.668044
  H      -4.977409     -5.578725      0.704956
  H      -4.754475     -7.343860      0.812545
  H      -2.017992     -3.536987      1.129442
  H      -3.612828     -3.942308      0.491243
  H      -1.789469     -5.592618      2.320055
  H      -2.396022     -6.059222      0.708224
  C      -3.471068     -2.066449      2.678501
  C      -2.207408     -1.440251      2.723559
  C      -2.087730     -0.061837      2.886332
  C      -3.240737      0.704028      2.986888
  F      -3.120580      2.043068      3.165791
  C      -4.517427      0.128751      2.924125
  C      -5.754321      0.917876      3.001663
  O      -6.883273      0.443458      3.067905
  C      -5.750274      2.448474      2.892800
  O      -5.696849      3.020128      1.831198
  C      -5.970309      3.155218      4.250845
  O      -5.817789      2.598381      5.297564
  Cl     -6.378529      4.874978      4.092624
  C      -4.609835     -1.264272      2.770716
  C      -7.700257     -5.232872      3.606311
  C      -8.749819     -6.127069      3.286782
  C     -10.054132     -5.923494      3.738655
  C     -10.344668     -4.826406      4.528536
  F     -11.606993     -4.659871      4.979559
  C      -9.329273     -3.931124      4.908817
  C      -9.605366     -2.793967      5.804221
  O     -10.649467     -2.158337      5.875204
  C      -8.573054     -2.448601      6.895046
  O      -7.820513     -3.230263      7.423784
  C      -8.704236     -1.014321      7.447242
  O      -9.028437     -0.669308      8.536246
  Cl     -8.090174      0.119883      6.178341
  C      -8.025808     -4.144475      4.438329
  C      -3.284540     -5.525077      6.357460
  C      -1.973892     -5.301667      6.829343
  C      -1.736743     -4.910531      8.145726
  C      -2.817182     -4.755898      9.001871
  F      -2.582424     -4.343654     10.275098
  C      -4.131142     -5.020908      8.591617
  C      -5.292337     -4.908567      9.489512
  O      -6.423658     -5.281150      9.209486
  C      -5.168416     -4.307535     10.902205
  O      -5.087814     -4.980129     11.900078
  C      -5.298511     -2.761700     10.914933
  O      -5.247823     -2.102439      9.918387
  Cl     -5.465866     -2.081249     12.544432
  C      -4.344315     -5.408460      7.259866
  H      -1.301933     -2.046260      2.659294
  H      -1.113546      0.423433      2.948619
  H      -5.600972     -1.716790      2.717970
  H      -8.562782     -7.014374      2.685998
  H     -10.848256     -6.626761      3.486039
  H      -7.252441     -3.432816      4.719093
  H      -1.129320     -5.396984      6.145252
  H      -0.728817     -4.709302      8.509080
  H      -5.368133     -5.592251      6.931435
  N      -5.021869     -3.397586      4.989717
  N      -5.267818     -2.521581      5.821504
  H      -4.460435     -1.926597      6.070464
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.056732848285
  N      -3.617350     -3.460970      2.550597
  C      -2.971554     -4.050576      1.368468
  C      -2.659710     -5.514053      1.632536
  N      -3.806617     -6.158069      2.317422
  C      -4.936790     -6.426633      1.399506
  C      -6.248317     -6.526914      2.162434
  N      -6.399089     -5.431268      3.132342
  Mo     -4.634033     -4.660025      3.777811
  N      -3.558447     -5.809285      4.996354
  C      -2.740519     -6.879111      4.405510
  C      -3.398228     -7.341606      3.113914
  H      -2.666622     -7.733993      5.098797
  H      -1.704206     -6.541931      4.212612
  H      -4.310729     -7.903083      3.356126
  H      -2.731257     -7.999079      2.529097
  H      -7.058201     -6.491955      1.413765
  H      -6.331834     -7.508936      2.666276
  H      -4.990393     -5.579980      0.701323
  H      -4.757690     -7.344229      0.810872
  H      -2.034013     -3.526324      1.121463
  H      -3.628627     -3.937271      0.485236
  H      -1.798514     -5.581821      2.311767
  H      -2.407323     -6.051464      0.701382
  C      -3.474670     -2.061791      2.679368
  C      -2.205361     -1.449761      2.747344
  C      -2.072194     -0.074214      2.920125
  C      -3.217341      0.703734      3.008669
  F      -3.082836      2.039987      3.198955
  C      -4.499942      0.143759      2.924360
  C      -5.727845      0.947867      2.998838
  O      -6.862700      0.486063      3.044170
  C      -5.703218      2.480795      2.914153
  O      -5.641645      3.070663      1.863283
  C      -5.910398      3.166550      4.285702
  O      -5.759119      2.588956      5.321876
  Cl     -6.302044      4.891833      4.161361
  C      -4.606550     -1.247678      2.761570
  C      -7.707812     -5.258669      3.618533
  C      -8.750943     -6.162781      3.301031
  C     -10.054926     -5.973870      3.760453
  C     -10.352237     -4.881318      4.554364
  F     -11.614441     -4.727164      5.010886
  C      -9.344072     -3.976700      4.931232
  C      -9.627017     -2.839357      5.822590
  O     -10.681768     -2.222731      5.910985
  C      -8.583417     -2.460597      6.889905
  O      -7.845820     -3.235211      7.451293
  C      -8.701628     -1.003969      7.380474
  O      -9.000105     -0.616535      8.462372
  Cl     -8.128736      0.079118      6.049038
  C      -8.040647     -4.177301      4.455749
  C      -3.292369     -5.509385      6.351000
  C      -1.983332     -5.271291      6.820370
  C      -1.747685     -4.878087      8.136559
  C      -2.828944     -4.736252      8.994424
  F      -2.597647     -4.324408     10.268847
  C      -4.140323     -5.015113      8.586474
  C      -5.301899     -4.921355      9.487858
  O      -6.424784     -5.320140      9.212226
  C      -5.179142     -4.297906     10.891900
  O      -5.126656     -4.953930     11.902346
  C      -5.267534     -2.748572     10.876746
  O      -5.208889     -2.109040      9.867686
  Cl     -5.409535     -2.034520     12.493842
  C      -4.351209     -5.404891      7.255452
  H      -1.306674     -2.066815      2.691735
  H      -1.093242      0.398740      3.000745
  H      -5.601560     -1.690220      2.696646
  H      -8.558123     -7.046015      2.696244
  H     -10.842851     -6.684578      3.509328
  H      -7.272751     -3.459031      4.734916
  H      -1.139585     -5.357572      6.134020
  H      -0.741338     -4.666732      8.498386
  H      -5.373245     -5.601954      6.928982
  N      -5.042074     -3.393612      4.982389
  N      -5.301089     -2.522257      5.815578
  H      -4.501509     -1.917439      6.066167
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.056971080522
  N      -3.630757     -3.454292      2.545343
  C      -2.987362     -4.042461      1.360477
  C      -2.670777     -5.504957      1.624441
  N      -3.814520     -6.151060      2.312468
  C      -4.944665     -6.425970      1.396498
  C      -6.253819     -6.533896      2.162460
  N      -6.408918     -5.441873      3.135305
  Mo     -4.646899     -4.653230      3.771732
  N      -3.564640     -5.796332      4.989981
  C      -2.743506     -6.864525      4.400966
  C      -3.400928     -7.331778      3.110829
  H      -2.666048     -7.717435      5.096258
  H      -1.708461     -6.523842      4.207072
  H      -4.311061     -7.895890      3.355538
  H      -2.732677     -7.988008      2.526116
  H      -7.065478     -6.501365      1.415353
  H      -6.331218     -7.517574      2.663911
  H      -5.003919     -5.580863      0.697028
  H      -4.762571     -7.343878      0.809152
  H      -2.052123     -3.515241      1.111309
  H      -3.647129     -3.930874      0.479144
  H      -1.807435     -5.569803      2.301212
  H      -2.419973     -6.043137      0.693252
  C      -3.479128     -2.056393      2.680421
  C      -2.203546     -1.459799      2.769453
  C      -2.055425     -0.087342      2.951716
  C      -3.192702      0.703055      3.030499
  F      -3.043636      2.036587      3.231279
  C      -4.480709      0.159145      2.926236
  C      -5.698039      0.979468      2.993674
  O      -6.839963      0.533760      3.014966
  C      -5.648450      2.513694      2.937315
  O      -5.573249      3.123190      1.898681
  C      -5.846372      3.178467      4.321391
  O      -5.701984      2.579849      5.346972
  Cl     -6.213655      4.909778      4.229729
  C      -4.602856     -1.230041      2.753520
  C      -7.715812     -5.285769      3.631061
  C      -8.751676     -6.200066      3.315706
  C     -10.055205     -6.027031      3.782675
  C     -10.359875     -4.939508      4.580966
  F     -11.621513     -4.798494      5.043084
  C      -9.359206     -4.025448      4.955226
  C      -9.648241     -2.887668      5.843076
  O     -10.712655     -2.290358      5.949061
  C      -8.593448     -2.477382      6.886875
  O      -7.871351     -3.244957      7.477403
  C      -8.694892     -1.000870      7.316633
  O      -8.950560     -0.572127      8.394342
  Cl     -8.193231      0.026230      5.917618
  C      -8.055853     -4.212486      4.474822
  C      -3.299179     -5.492853      6.343938
  C      -1.991967     -5.240357      6.811256
  C      -1.758582     -4.845994      8.127512
  C      -2.840104     -4.715715      8.986723
  F      -2.612357     -4.305088     10.262560
  C      -4.148939     -5.005881      8.580684
  C      -5.311049     -4.927678      9.484688
  O      -6.423935     -5.356283      9.215118
  C      -5.190451     -4.282668     10.880226
  O      -5.161543     -4.922681     11.901450
  C      -5.244653     -2.731752     10.839887
  O      -5.181818     -2.109723      9.820386
  Cl     -5.365239     -1.988704     12.445535
  C      -4.357452     -5.398807      7.250131
  H      -1.312765     -2.089091      2.724249
  H      -1.071805      0.372607      3.048837
  H      -5.602056     -1.661264      2.677689
  H      -8.552946     -7.078666      2.706160
  H     -10.836481     -6.745489      3.532953
  H      -7.294253     -3.487026      4.752296
  H      -1.148452     -5.318487      6.123643
  H      -0.753789     -4.625634      8.488274
  H      -5.377688     -5.607592      6.925150
  N      -5.064588     -3.388527      4.975417
  N      -5.336999     -2.521510      5.809060
  H      -4.546285     -1.905613      6.061083
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057191787467
  N      -3.643351     -3.448200      2.540205
  C      -3.003407     -4.033411      1.351590
  C      -2.681697     -5.495323      1.614222
  N      -3.821692     -6.143827      2.306174
  C      -4.952334     -6.424083      1.392760
  C      -6.258899     -6.540465      2.161592
  N      -6.417788     -5.452462      3.138063
  Mo     -4.658630     -4.647518      3.765638
  N      -3.570777     -5.785146      4.983051
  C      -2.746123     -6.851069      4.394901
  C      -3.403145     -7.321875      3.105934
  H      -2.665591     -7.702738      5.091264
  H      -1.712777     -6.505765      4.200134
  H      -4.310832     -7.889096      3.352282
  H      -2.733026     -7.976608      2.521650
  H      -7.072601     -6.510389      1.416460
  H      -6.329763     -7.526020      2.660358
  H      -5.017612     -5.579780      0.692926
  H      -4.767904     -7.341428      0.805033
  H      -2.070479     -3.503043      1.100200
  H      -3.666433     -3.922195      0.472938
  H      -1.815402     -5.557497      2.287399
  H      -2.433175     -6.033393      0.682346
  C      -3.483358     -2.051460      2.683583
  C      -2.201784     -1.470774      2.794315
  C      -2.039501     -0.101640      2.988456
  C      -3.169713      0.700365      3.059345
  F      -3.007590      2.030344      3.274582
  C      -4.462264      0.172035      2.934781
  C      -5.670223      1.006249      2.993935
  O      -6.818224      0.575401      2.991892
  C      -5.599020      2.540388      2.963397
  O      -5.513289      3.166185      1.935238
  C      -5.789569      3.188062      4.357188
  O      -5.654527      2.572391      5.373961
  Cl     -6.135595      4.923912      4.290995
  C      -4.598640     -1.214227      2.748787
  C      -7.722621     -5.313669      3.644163
  C      -8.751082     -6.237678      3.332056
  C     -10.053503     -6.080357      3.807821
  C     -10.364956     -4.998144      4.610904
  F     -11.625581     -4.869799      5.078808
  C      -9.371553     -4.074816      4.981830
  C      -9.664624     -2.934157      5.864227
  O     -10.737403     -2.355330      5.986592
  C      -8.598923     -2.490455      6.883895
  O      -7.890133     -3.247368      7.504010
  C      -8.678897     -0.995112      7.252187
  O      -8.880333     -0.523853      8.324343
  Cl     -8.248836     -0.030000      5.791719
  C      -8.068775     -4.248407      4.495149
  C      -3.306191     -5.478519      6.336351
  C      -2.000761     -5.214824      6.802443
  C      -1.770690     -4.819879      8.119168
  C      -2.852956     -4.698412      8.978555
  F      -2.628859     -4.289037     10.255887
  C      -4.159610     -4.997004      8.573010
  C      -5.323728     -4.928480      9.476797
  O      -6.427974     -5.379277      9.209780
  C      -5.208622     -4.261027     10.863262
  O      -5.209024     -4.884302     11.894874
  C      -5.222792     -2.709695     10.797266
  O      -5.146640     -2.105260      9.768217
  Cl     -5.329465     -1.937965     12.390755
  C      -4.364946     -5.392629      7.242770
  H      -1.319199     -2.112118      2.759476
  H      -1.052033      0.345859      3.102359
  H      -5.601727     -1.633848      2.660615
  H      -8.547328     -7.111544      2.717395
  H     -10.828594     -6.806207      3.560274
  H      -7.313397     -3.515793      4.770567
  H      -1.156688     -5.286404      6.114819
  H      -0.767445     -4.592405      8.479944
  H      -5.383427     -5.609650      6.917693
  N      -5.086457     -3.382895      4.967911
  N      -5.370986     -2.517612      5.799127
  H      -4.590000     -1.889099      6.050560
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057380873889
  N      -3.654594     -3.442148      2.536571
  C      -3.017795     -4.022791      1.344111
  C      -2.692272     -5.484765      1.603397
  N      -3.828723     -6.135819      2.298894
  C      -4.960193     -6.419856      1.388091
  C      -6.264275     -6.545413      2.159357
  N      -6.426405     -5.462007      3.140379
  Mo     -4.669969     -4.642696      3.759887
  N      -3.577998     -5.775882      4.975908
  C      -2.749130     -6.838416      4.387286
  C      -3.405417     -7.311743      3.099030
  H      -2.665413     -7.689784      5.083542
  H      -1.717835     -6.487606      4.191804
  H      -4.310533     -7.882694      3.346034
  H      -2.732814     -7.964366      2.515153
  H      -7.080230     -6.517447      1.416550
  H      -6.328552     -7.533144      2.654865
  H      -5.031463     -5.574916      0.689546
  H      -4.773547     -7.335215      0.797748
  H      -2.086553     -3.489672      1.091739
  H      -3.683540     -3.910036      0.467949
  H      -1.823040     -5.545825      2.272813
  H      -2.446261     -6.021418      0.670064
  C      -3.486097     -2.046983      2.690398
  C      -2.199565     -1.481710      2.825622
  C      -2.024706     -0.116077      3.032699
  C      -3.148162      0.697109      3.092809
  F      -2.975237      2.023505      3.321445
  C      -4.444010      0.184007      2.944628
  C      -5.643000      1.031394      2.989312
  O      -6.796257      0.615145      2.958866
  C      -5.551810      2.564424      2.982535
  O      -5.448799      3.203102      1.963714
  C      -5.747320      3.198102      4.382226
  O      -5.633647      2.568360      5.392716
  Cl     -6.066491      4.939497      4.332704
  C      -4.592921     -1.199400      2.744847
  C      -7.729013     -5.340505      3.656839
  C      -8.750327     -6.272819      3.347783
  C     -10.051142     -6.130447      3.832927
  C     -10.368667     -5.054434      4.641927
  F     -11.627857     -4.938851      5.116034
  C      -9.381967     -4.122796      5.010014
  C      -9.677292     -2.979520      5.887801
  O     -10.757489     -2.418917      6.027255
  C      -8.601847     -2.503869      6.883044
  O      -7.904694     -3.247191      7.531295
  C      -8.655910     -0.992654      7.193094
  O      -8.795769     -0.480690      8.257080
  Cl     -8.301751     -0.087775      5.679432
  C      -8.080198     -4.283295      4.515930
  C      -3.314382     -5.467470      6.328899
  C      -2.010399     -5.196577      6.794495
  C      -1.783219     -4.801925      8.111836
  C      -2.866076     -4.686546      8.970803
  F      -2.644438     -4.279680     10.249838
  C      -4.171354     -4.989859      8.564996
  C      -5.336760     -4.924999      9.468409
  O      -6.433781     -5.394760      9.206276
  C      -5.225272     -4.235852     10.845810
  O      -5.253055     -4.842992     11.886388
  C      -5.201851     -2.685402     10.757440
  O      -5.112909     -2.096503      9.720600
  Cl     -5.293003     -1.889249     12.340486
  C      -4.374230     -5.387307      7.234895
  H      -1.324890     -2.134258      2.801849
  H      -1.034475      0.319903      3.165027
  H      -5.599317     -1.606944      2.639728
  H      -8.542689     -7.141547      2.727087
  H     -10.820746     -6.862768      3.587318
  H      -7.331020     -3.543873      4.790159
  H      -1.165525     -5.263238      6.107421
  H      -0.781148     -4.570035      8.473211
  H      -5.391409     -5.608902      6.908995
  N      -5.107782     -3.377716      4.960347
  N      -5.403193     -2.513478      5.788578
  H      -4.632070     -1.872351      6.038571
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057531616851
  N      -3.664009     -3.436063      2.533798
  C      -3.028838     -4.011493      1.338455
  C      -2.701433     -5.474109      1.593072
  N      -3.834986     -6.127680      2.291137
  C      -4.967303     -6.414055      1.382432
  C      -6.268973     -6.548875      2.155977
  N      -6.433390     -5.470531      3.142203
  Mo     -4.679635     -4.638452      3.754574
  N      -3.585287     -5.768887      4.968933
  C      -2.751871     -6.827156      4.378666
  C      -3.407176     -7.302271      3.090628
  H      -2.664404     -7.678890      5.073946
  H      -1.722705     -6.470801      4.182473
  H      -4.309778     -7.877120      3.337691
  H      -2.731952     -7.952243      2.506753
  H      -7.087434     -6.522233      1.415882
  H      -6.327001     -7.538971      2.647717
  H      -5.044262     -5.566950      0.686927
  H      -4.777977     -7.326090      0.787710
  H      -2.098461     -3.476214      1.086917
  H      -3.695965     -3.896137      0.463761
  H      -1.829830     -5.535824      2.259306
  H      -2.457883     -6.008428      0.657802
  C      -3.487073     -2.042957      2.699814
  C      -2.197658     -1.490776      2.860717
  C      -2.013975     -0.128397      3.081236
  C      -3.131629      0.694185      3.129050
  F      -2.951373      2.017259      3.370313
  C      -4.429180      0.194025      2.955855
  C      -5.621615      1.051273      2.985053
  O      -6.777617      0.645306      2.927490
  C      -5.516721      2.583131      2.996622
  O      -5.397712      3.230268      1.984721
  C      -5.721133      3.206062      4.399650
  O      -5.631949      2.565614      5.405569
  Cl     -6.013620      4.953011      4.360987
  C      -4.586757     -1.186687      2.742348
  C      -7.733420     -5.364472      3.668911
  C      -8.749222     -6.302833      3.362630
  C     -10.047624     -6.173159      3.858259
  C     -10.368925     -5.103823      4.674429
  F     -11.626101     -4.999942      5.155779
  C      -9.387262     -4.165660      5.039624
  C      -9.682336     -3.020451      5.914312
  O     -10.767848     -2.474999      6.071980
  C      -8.598321     -2.514930      6.884769
  O      -7.911568     -3.242271      7.562029
  C      -8.624210     -0.990927      7.137204
  O      -8.705059     -0.439168      8.187673
  Cl     -8.336537     -0.143159      5.578913
  C      -8.087450     -4.314825      4.536532
  C      -3.323734     -5.460965      6.322485
  C      -2.020940     -5.188004      6.789389
  C      -1.796654     -4.794948      8.107834
  C      -2.881013     -4.682579      8.964993
  F      -2.661661     -4.279294     10.245988
  C      -4.185492     -4.986513      8.556888
  C      -5.352521     -4.920611      9.458639
  O      -6.444481     -5.403226      9.200660
  C      -5.245654     -4.207701     10.825639
  O      -5.304864     -4.795944     11.875579
  C      -5.178994     -2.659741     10.713249
  O      -5.072525     -2.088305      9.668378
  Cl     -5.254060     -1.837828     12.284493
  C      -4.385637     -5.383954      7.226622
  H      -1.329266     -2.151979      2.846565
  H      -1.022516      0.298372      3.232760
  H      -5.595138     -1.583536      2.617400
  H      -8.539938     -7.166299      2.735088
  H     -10.813266     -6.910265      3.614462
  H      -7.343485     -3.569886      4.809465
  H      -1.174848     -5.251728      6.103600
  H      -0.795539     -4.562095      8.471293
  H      -5.401849     -5.606486      6.898515
  N      -5.125860     -3.373169      4.952904
  N      -5.430574     -2.509271      5.777693
  H      -4.668534     -1.856545      6.025341
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057660921238
  N      -3.669538     -3.430548      2.532290
  C      -3.035494     -4.000909      1.334674
  C      -2.709199     -5.464779      1.583714
  N      -3.841118     -6.119626      2.283356
  C      -4.974715     -6.406202      1.376423
  C      -6.274083     -6.548813      2.152370
  N      -6.439599     -5.475347      3.143817
  Mo     -4.687559     -4.634252      3.749738
  N      -3.592235     -5.763628      4.962448
  C      -2.755000     -6.817603      4.369488
  C      -3.409949     -7.293815      3.081535
  H      -2.663482     -7.670100      5.063291
  H      -1.727756     -6.456564      4.172196
  H      -4.310548     -7.871744      3.328671
  H      -2.732854     -7.941412      2.497163
  H      -7.095019     -6.522415      1.414975
  H      -6.327079     -7.541166      2.640257
  H      -5.056193     -5.556073      0.684916
  H      -4.783573     -7.314560      0.776676
  H      -2.104847     -3.464935      1.085165
  H      -3.702905     -3.881780      0.460616
  H      -1.835872     -5.529274      2.247410
  H      -2.468577     -5.996596      0.646306
  C      -3.485100     -2.039905      2.710138
  C      -2.194938     -1.498461      2.898735
  C      -2.005597     -0.139050      3.131914
  C      -3.117696      0.691725      3.163856
  F      -2.932488      2.011819      3.416513
  C      -4.415334      0.202907      2.962474
  C      -5.602133      1.068515      2.972828
  O      -6.759090      0.671017      2.883585
  C      -5.487075      2.599227      3.002795
  O      -5.344640      3.253854      1.998642
  C      -5.714636      3.211373      4.406619
  O      -5.656988      2.561915      5.408672
  Cl     -5.983993      4.963192      4.375681
  C      -4.578766     -1.175678      2.736890
  C      -7.736593     -5.382601      3.680542
  C      -8.748398     -6.325204      3.375948
  C     -10.044110     -6.206320      3.881916
  C     -10.367280     -5.143808      4.706030
  F     -11.622141     -5.050096      5.195127
  C      -9.389199     -4.200995      5.069039
  C      -9.683879     -3.056399      5.943725
  O     -10.773933     -2.525441      6.120388
  C      -8.592231     -2.525972      6.889530
  O      -7.916027     -3.237789      7.592695
  C      -8.588127     -0.993439      7.089386
  O      -8.608941     -0.408854      8.125013
  Cl     -8.371052     -0.192422      5.495772
  C      -8.091801     -4.340360      4.556950
  C      -3.332176     -5.457625      6.316805
  C      -2.029647     -5.188119      6.785683
  C      -1.806498     -4.798076      8.105337
  C      -2.891962     -4.685152      8.960719
  F      -2.673154     -4.287923     10.243954
  C      -4.196731     -4.984791      8.549946
  C      -5.364171     -4.916403      9.451158
  O      -6.450947     -5.413828      9.201018
  C      -5.261948     -4.179209     10.806873
  O      -5.345681     -4.748131     11.865681
  C      -5.165575     -2.634383     10.671449
  O      -5.047811     -2.079199      9.619166
  Cl     -5.227890     -1.789015     12.231228
  C      -4.395803     -5.380382      7.219204
  H      -1.331515     -2.166361      2.895212
  H      -1.014346      0.280121      3.304664
  H      -5.587801     -1.562941      2.589113
  H      -8.539079     -7.183128      2.740797
  H     -10.806990     -6.946668      3.639136
  H      -7.351879     -3.591263      4.829712
  H      -1.182601     -5.252038      6.101146
  H      -0.805450     -4.568774      8.471209
  H      -5.411754     -5.600844      6.889040
  N      -5.140065     -3.368752      4.945860
  N      -5.453436     -2.505840      5.768548
  H      -4.699201     -1.843153      6.013602
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057780212216
  N      -3.676358     -3.424226      2.530183
  C      -3.040733     -3.991156      1.332283
  C      -2.715235     -5.455929      1.577164
  N      -3.845949     -6.112243      2.277573
  C      -4.980011     -6.400081      1.371450
  C      -6.277357     -6.549908      2.149474
  N      -6.443828     -5.480636      3.145169
  Mo     -4.694383     -4.629696      3.745845
  N      -3.597636     -5.757929      4.957512
  C      -2.756453     -6.807485      4.362292
  C      -3.411110     -7.285836      3.074798
  H      -2.659749     -7.660147      5.055198
  H      -1.731131     -6.442029      4.163436
  H      -4.309668     -7.866562      3.322686
  H      -2.732447     -7.931162      2.489772
  H      -7.100551     -6.523726      1.414560
  H      -6.325903     -7.544088      2.634127
  H      -5.065760     -5.547184      0.683724
  H      -4.785733     -7.304986      0.767617
  H      -2.109698     -3.454472      1.085707
  H      -3.706898     -3.869850      0.457448
  H      -1.840857     -5.522699      2.239234
  H      -2.476611     -5.985789      0.638165
  C      -3.485076     -2.035659      2.717880
  C      -2.194990     -1.501937      2.925733
  C      -2.002436     -0.144559      3.168093
  C      -3.110220      0.692143      3.189051
  F      -2.921923      2.010301      3.449394
  C      -4.407582      0.211327      2.967356
  C      -5.591061      1.082217      2.965635
  O      -6.747424      0.689290      2.854287
  C      -5.469689      2.612338      3.011373
  O      -5.315610      3.274598      2.013985
  C      -5.704805      3.211637      4.419093
  O      -5.667314      2.551201      5.414836
  Cl     -5.951996      4.967772      4.403450
  C      -4.574428     -1.165409      2.733498
  C      -7.737982     -5.398026      3.690180
  C      -8.747829     -6.343027      3.386904
  C     -10.040529     -6.232127      3.902812
  C     -10.363324     -5.175814      4.734849
  F     -11.615619     -5.090203      5.231684
  C      -9.386935     -4.230103      5.095650
  C      -9.677942     -3.087411      5.972765
  O     -10.770007     -2.566814      6.170120
  C      -8.579227     -2.536250      6.895378
  O      -7.915272     -3.233208      7.626562
  C      -8.545318     -0.997791      7.038502
  O      -8.507599     -0.377765      8.052543
  Cl     -8.400510     -0.247538      5.410058
  C      -8.092614     -4.362353      4.574557
  C      -3.340910     -5.455865      6.313389
  C      -2.038993     -5.192920      6.787317
  C      -1.817993     -4.807034      8.108614
  C      -2.905839     -4.691644      8.960423
  F      -2.689616     -4.299133     10.245639
  C      -4.210374     -4.985226      8.544666
  C      -5.378964     -4.913852      9.444001
  O      -6.461545     -5.422433      9.199301
  C      -5.283502     -4.152480     10.787965
  O      -5.394341     -4.700663     11.855113
  C      -5.152492     -2.612133     10.629619
  O      -5.019103     -2.074251      9.570402
  Cl     -5.203633     -1.743226     12.176920
  C      -4.407290     -5.377232      7.212720
  H      -1.334534     -2.173765      2.928149
  H      -1.011677      0.269431      3.355868
  H      -5.583486     -1.545914      2.569041
  H      -8.540049     -7.195983      2.744554
  H     -10.801993     -6.974220      3.660782
  H      -7.356086     -3.609892      4.845961
  H      -1.190169     -5.258089      6.105123
  H      -0.817217     -4.583194      8.478493
  H      -5.422902     -5.594075      6.879170
  N      -5.152450     -3.364225      4.939379
  N      -5.473412     -2.501610      5.759366
  H      -4.725598     -1.830654      6.001535
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.057899549628
  N      -3.677318     -3.419948      2.530688
  C      -3.041630     -3.983449      1.331688
  C      -2.719183     -5.449681      1.571738
  N      -3.849832     -6.105885      2.272521
  C      -4.985013     -6.392138      1.366987
  C      -6.280635     -6.546588      2.146934
  N      -6.446566     -5.480887      3.146462
  Mo     -4.697964     -4.625927      3.743406
  N      -3.601284     -5.755382      4.954130
  C      -2.757926     -6.801257      4.355461
  C      -3.413471     -7.280103      3.068321
  H      -2.656509     -7.654555      5.046936
  H      -1.734118     -6.432674      4.154642
  H      -4.311087     -7.861913      3.317018
  H      -2.734661     -7.924194      2.482164
  H      -7.105543     -6.519191      1.413904
  H      -6.326826     -7.542342      2.628541
  H      -5.073023     -5.536099      0.683369
  H      -4.789812     -7.294075      0.759147
  H      -2.109414     -3.447421      1.088048
  H      -3.706624     -3.858578      0.456310
  H      -1.843806     -5.520381      2.232034
  H      -2.483658     -5.977679      0.630937
  C      -3.483127     -2.032871      2.725834
  C      -2.195056     -1.503484      2.953538
  C      -2.002983     -0.147473      3.203955
  C      -3.108071      0.692434      3.212424
  F      -2.919724      2.008907      3.481061
  C      -4.403520      0.216443      2.969183
  C      -5.585242      1.090151      2.953692
  O      -6.739770      0.699923      2.818632
  C      -5.460826      2.619804      3.012949
  O      -5.288664      3.288030      2.022569
  C      -5.717773      3.209256      4.420701
  O      -5.702722      2.541804      5.412174
  Cl     -5.954696      4.967524      4.413683
  C      -4.570274     -1.159015      2.728023
  C      -7.737853     -5.405278      3.699026
  C      -8.747583     -6.350530      3.395312
  C     -10.037643     -6.245100      3.919517
  C     -10.358145     -5.194487      4.759657
  F     -11.608056     -5.113836      5.263328
  C      -9.381636     -4.248584      5.120086
  C      -9.669185     -3.109792      6.002584
  O     -10.762380     -2.598321      6.219446
  C      -8.562698     -2.543862      6.902903
  O      -7.912468     -3.228120      7.657103
  C      -8.494441     -1.002952      6.996132
  O      -8.392370     -0.358164      7.989950
  Cl     -8.427494     -0.291146      5.344395
  C      -8.090159     -4.375923      4.591577
  C      -3.346092     -5.457603      6.311056
  C      -2.043658     -5.207410      6.790424
  C      -1.823527     -4.826376      8.113332
  C      -2.913370     -4.703478      8.961604
  F      -2.698821     -4.317028     10.248837
  C      -4.218559     -4.986323      8.540719
  C      -5.388029     -4.912112      9.438481
  O      -6.465756     -5.433879      9.200621
  C      -5.301410     -4.128562     10.770795
  O      -5.432527     -4.657825     11.845131
  C      -5.150397     -2.592219     10.591197
  O      -5.001297     -2.070118      9.526282
  Cl     -5.205844     -1.701068     12.125909
  C      -4.414647     -5.373350      7.207466
  H      -1.335965     -2.177027      2.964017
  H      -1.014131      0.263589      3.407849
  H      -5.578004     -1.535600      2.546951
  H      -8.542499     -7.198462      2.745501
  H     -10.799076     -6.987033      3.676836
  H      -7.354652     -3.622545      4.863425
  H      -1.193116     -5.278480      6.110958
  H      -0.822093     -4.612859      8.487435
  H      -5.430534     -5.583654      6.870679
  N      -5.158813     -3.359956      4.934661
  N      -5.486604     -2.497275      5.752782
  H      -4.743610     -1.819612      5.991385
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058024712808
  N      -3.679342     -3.414614      2.531726
  C      -3.043541     -3.976236      1.331971
  C      -2.722351     -5.443294      1.568762
  N      -3.852658     -6.099834      2.269988
  C      -4.988403     -6.385964      1.364714
  C      -6.282697     -6.543998      2.146181
  N      -6.448321     -5.480710      3.148075
  Mo     -4.701068     -4.621236      3.742172
  N      -3.603366     -5.751187      4.952633
  C      -2.758039     -6.793852      4.351373
  C      -3.414566     -7.274088      3.065118
  H      -2.651555     -7.647049      5.042231
  H      -1.735672     -6.422440      4.148272
  H      -4.311321     -7.856573      3.315269
  H      -2.735913     -7.917330      2.477936
  H      -7.108656     -6.515896      1.414301
  H      -6.327126     -7.540698      2.625887
  H      -5.078418     -5.527782      0.684026
  H      -4.791835     -7.285934      0.754549
  H      -2.110952     -3.440207      1.089909
  H      -3.707999     -3.849647      0.456346
  H      -1.846013     -5.516456      2.227449
  H      -2.489325     -5.970005      0.626642
  C      -3.482605     -2.028359      2.731366
  C      -2.196128     -1.502042      2.971741
  C      -2.004568     -0.146619      3.226477
  C      -3.107384      0.695719      3.225138
  F      -2.918691      2.011262      3.498011
  C      -4.401348      0.223005      2.966419
  C      -5.581413      1.099193      2.937010
  O      -6.733699      0.711352      2.780033
  C      -5.455041      2.628499      3.009422
  O      -5.267584      3.304339      2.027193
  C      -5.731308      3.205409      4.418610
  O      -5.734870      2.528467      5.403701
  Cl     -5.960872      4.964921      4.425510
  C      -4.568153     -1.151748      2.722956
  C      -7.737435     -5.408832      3.705869
  C      -8.748288     -6.352967      3.400545
  C     -10.036248     -6.251102      3.930861
  C     -10.353726     -5.205700      4.778802
  F     -11.601550     -5.128640      5.288011
  C      -9.376029     -4.261180      5.140313
  C      -9.658771     -3.129103      6.032095
  O     -10.752966     -2.628843      6.271495
  C      -8.543679     -2.552751      6.912694
  O      -7.910674     -3.226628      7.692106
  C      -8.441136     -1.011491      6.956713
  O      -8.270599     -0.343584      7.925243
  Cl     -8.459973     -0.338496      5.285620
  C      -8.087085     -4.385235      4.605500
  C      -3.350738     -5.458647      6.310795
  C      -2.048393     -5.221462      6.797388
  C      -1.830400     -4.846012      8.122227
  C      -2.923013     -4.716056      8.966028
  F      -2.712464     -4.334792     10.255351
  C      -4.227978     -4.988841      8.538719
  C      -5.398889     -4.913973      9.434433
  O      -6.472178     -5.446507      9.200559
  C      -5.320068     -4.113794     10.757613
  O      -5.471879     -4.627287     11.836800
  C      -5.144775     -2.581829     10.561919
  O      -4.974967     -2.073705      9.493410
  Cl     -5.208375     -1.672132     12.085385
  C      -4.422008     -5.369902      7.203701
  H      -1.337677     -2.176287      2.988367
  H      -1.017061      0.262261      3.441233
  H      -5.574614     -1.526372      2.530922
  H      -8.545825     -7.196639      2.744413
  H     -10.798226     -6.991928      3.686524
  H      -7.351594     -3.632373      4.878761
  H      -1.195589     -5.297996      6.121330
  H      -0.828752     -4.642691      8.501336
  H      -5.437800     -5.574103      6.862972
  N      -5.164251     -3.356108      4.932252
  N      -5.497301     -2.495035      5.750552
  H      -4.757718     -1.812884      5.987178
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058185101367
  N      -3.674117     -3.412320      2.540024
  C      -3.037102     -3.971489      1.339495
  C      -2.718515     -5.439813      1.572342
  N      -3.850602     -6.096028      2.271615
  C      -4.986121     -6.377794      1.363988
  C      -6.281324     -6.535601      2.144012
  N      -6.444572     -5.474437      3.148074
  Mo     -4.697211     -4.619488      3.746669
  N      -3.601367     -5.755624      4.956612
  C      -2.756218     -6.795342      4.350638
  C      -3.414612     -7.272931      3.064420
  H      -2.645846     -7.649894      5.039250
  H      -1.734573     -6.422578      4.145912
  H      -4.312525     -7.853516      3.314774
  H      -2.738014     -7.916485      2.475317
  H      -7.106323     -6.503358      1.411190
  H      -6.328842     -7.533189      2.621379
  H      -5.073904     -5.516659      0.686907
  H      -4.789961     -7.276195      0.751542
  H      -2.103192     -3.436029      1.101225
  H      -3.699436     -3.841506      0.462810
  H      -1.841999     -5.516987      2.230173
  H      -2.487474     -5.964497      0.628631
  C      -3.485662     -2.024004      2.737358
  C      -2.204199     -1.489679      2.983436
  C      -2.022930     -0.132096      3.235854
  C      -3.130690      0.703300      3.225953
  F      -2.951602      2.020503      3.497811
  C      -4.420237      0.221856      2.959713
  C      -5.605302      1.091538      2.919427
  O      -6.754161      0.697063      2.756839
  C      -5.484214      2.622145      2.987172
  O      -5.290448      3.296508      2.005364
  C      -5.773346      3.200693      4.393211
  O      -5.779912      2.524688      5.379077
  Cl     -6.011946      4.958525      4.397435
  C      -4.576922     -1.153903      2.719485
  C      -7.733119     -5.397895      3.706792
  C      -8.750298     -6.333889      3.395593
  C     -10.037155     -6.227874      3.927643
  C     -10.346764     -5.186699      4.784011
  F     -11.593278     -5.105240      5.295290
  C      -9.362573     -4.250933      5.151159
  C      -9.633940     -3.127090      6.056738
  O     -10.723716     -2.626991      6.315874
  C      -8.507621     -2.554574      6.924546
  O      -7.896091     -3.224475      7.723151
  C      -8.360703     -1.015645      6.931431
  O      -8.120624     -0.339084      7.879095
  Cl     -8.459159     -0.361472      5.255375
  C      -8.075713     -4.378838      4.613656
  C      -3.350521     -5.471574      6.316090
  C      -2.047826     -5.258359      6.813771
  C      -1.832254     -4.891609      8.141231
  C      -2.927836     -4.746474      8.978650
  F      -2.721858     -4.372450     10.270457
  C      -4.233256     -4.999443      8.541878
  C      -5.406652     -4.919549      9.433646
  O      -6.478344     -5.455758      9.199851
  C      -5.335438     -4.110492     10.751537
  O      -5.501822     -4.614556     11.832924
  C      -5.144349     -2.581363     10.547472
  O      -4.945798     -2.082735      9.479641
  Cl     -5.237351     -1.658497     12.061496
  C      -4.425354     -5.371556      7.204100
  H      -1.340913     -2.157463      3.007039
  H      -1.039152      0.282908      3.455920
  H      -5.579622     -1.536660      2.523743
  H      -8.553247     -7.173854      2.733073
  H     -10.803673     -6.962214      3.678121
  H      -7.335645     -3.632328      4.890640
  H      -1.191691     -5.347400      6.143430
  H      -0.829651     -4.707213      8.527445
  H      -5.441643     -5.562861      6.857543
  N      -5.158613     -3.354094      4.936599
  N      -5.492396     -2.491465      5.754586
  H      -4.752404     -1.808888      5.988777
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058379604139
  N      -3.669665     -3.408052      2.548949
  C      -3.034076     -3.965524      1.346368
  C      -2.715543     -5.434298      1.576759
  N      -3.848124     -6.090837      2.275485
  C      -4.983607     -6.369969      1.366610
  C      -6.279871     -6.526139      2.145370
  N      -6.440688     -5.466123      3.150492
  Mo     -4.692996     -4.615153      3.752605
  N      -3.597829     -5.756965      4.961826
  C      -2.753211     -6.794570      4.351948
  C      -3.413604     -7.269623      3.066264
  H      -2.639970     -7.650168      5.038787
  H      -1.732180     -6.420635      4.145798
  H      -4.312644     -7.848276      3.317128
  H      -2.739203     -7.913672      2.475222
  H      -7.103466     -6.490528      1.411116
  H      -6.330692     -7.524125      2.621464
  H      -5.069366     -5.507814      0.690713
  H      -4.788655     -7.268470      0.754004
  H      -2.100361     -3.429288      1.108857
  H      -3.697062     -3.833661      0.470592
  H      -1.838282     -5.513224      2.233252
  H      -2.486248     -5.957533      0.631860
  C      -3.489244     -2.017251      2.740858
  C      -2.211754     -1.476406      2.990797
  C      -2.038408     -0.116496      3.238069
  C      -3.150249      0.713277      3.217591
  F      -2.978468      2.032180      3.485266
  C      -4.436005      0.224285      2.945358
  C      -5.624536      1.088676      2.888983
  O      -6.769887      0.688913      2.716007
  C      -5.510627      2.620318      2.953654
  O      -5.311868      3.296293      1.974183
  C      -5.815021      3.197226      4.357697
  O      -5.821061      2.519986      5.342919
  Cl     -6.071709      4.951463      4.362002
  C      -4.584959     -1.153172      2.712542
  C      -7.728979     -5.384055      3.709379
  C      -8.751962     -6.312202      3.392345
  C     -10.038357     -6.202247      3.924605
  C     -10.341298     -5.165008      4.788685
  F     -11.586890     -5.079594      5.300998
  C      -9.351311     -4.237907      5.161981
  C      -9.611291     -3.123448      6.082887
  O     -10.697103     -2.628164      6.365322
  C      -8.470563     -2.557371      6.938129
  O      -7.887717     -3.226807      7.759097
  C      -8.275723     -1.022254      6.909746
  O      -7.963931     -0.343033      7.834628
  Cl     -8.449150     -0.383311      5.235323
  C      -8.065804     -4.369271      4.622183
  C      -3.349487     -5.481731      6.322594
  C      -2.047555     -5.287934      6.830751
  C      -1.836383     -4.930917      8.161489
  C      -2.935370     -4.776849      8.992980
  F      -2.735318     -4.412695     10.288469
  C      -4.240259     -5.014230      8.546520
  C      -5.417898     -4.935380      9.433422
  O      -6.486535     -5.475450      9.194642
  C      -5.354584     -4.122172     10.748880
  O      -5.537730     -4.620143     11.830285
  C      -5.144145     -2.595664     10.541389
  O      -4.912282     -2.104750      9.476636
  Cl     -5.270853     -1.662782     12.046865
  C      -4.428171     -5.375976      7.205682
  H      -1.345236     -2.139551      3.023273
  H      -1.057555      0.303284      3.461876
  H      -5.584172     -1.543931      2.514825
  H      -8.558880     -7.149292      2.724991
  H     -10.808722     -6.930665      3.669816
  H      -7.320853     -3.629712      4.904480
  H      -1.187978     -5.384930      6.165866
  H      -0.833791     -4.761720      8.554718
  H      -5.444059     -5.557129      6.852672
  N      -5.152718     -3.351378      4.944320
  N      -5.486044     -2.490702      5.765001
  H      -4.745691     -1.808851      6.000002
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058601141066
  N      -3.664138     -3.403001      2.563224
  C      -3.029486     -3.957478      1.358099
  C      -2.709773     -5.426490      1.585858
  N      -3.842846     -6.084390      2.282855
  C      -4.977871     -6.359046      1.372052
  C      -6.276673     -6.511965      2.147500
  N      -6.434444     -5.453944      3.154682
  Mo     -4.685833     -4.610833      3.764094
  N      -3.593020     -5.761721      4.970596
  C      -2.749655     -6.797680      4.355985
  C      -3.411481     -7.266520      3.069618
  H      -2.636745     -7.655804      5.039641
  H      -1.728724     -6.422984      4.150621
  H      -4.312554     -7.842863      3.318733
  H      -2.739452     -7.910958      2.476192
  H      -7.097713     -6.471162      1.410721
  H      -6.332991     -7.510800      2.621244
  H      -5.059799     -5.496420      0.696422
  H      -4.785510     -7.258106      0.759386
  H      -2.096445     -3.419197      1.122163
  H      -3.693345     -3.823025      0.483619
  H      -1.832212     -5.506310      2.241745
  H      -2.480451     -5.947409      0.639722
  C      -3.496773     -2.008288      2.745058
  C      -2.223712     -1.457421      2.995807
  C      -2.060282     -0.093951      3.231500
  C      -3.178857      0.727312      3.197090
  F      -3.017551      2.049758      3.452256
  C      -4.459685      0.226611      2.923677
  C      -5.653066      1.082384      2.846822
  O      -6.794437      0.674025      2.666899
  C      -5.551108      2.615250      2.899711
  O      -5.355321      3.289002      1.918197
  C      -5.864039      3.197524      4.300522
  O      -5.860319      2.523898      5.288622
  Cl     -6.145695      4.946367      4.296070
  C      -4.598483     -1.154039      2.704428
  C      -7.723910     -5.364284      3.710555
  C      -8.753948     -6.281514      3.385782
  C     -10.040450     -6.164497      3.916081
  C     -10.335915     -5.131172      4.788009
  F     -11.581412     -5.038808      5.298667
  C      -9.338828     -4.215727      5.169723
  C      -9.582528     -3.108885      6.104971
  O     -10.661129     -2.613508      6.409906
  C      -8.425119     -2.557795      6.952831
  O      -7.878458     -3.231888      7.795314
  C      -8.173629     -1.028648      6.895996
  O      -7.792432     -0.356647      7.800744
  Cl     -8.411501     -0.394529      5.232239
  C      -8.054408     -4.353174      4.628826
  C      -3.347449     -5.497756      6.333222
  C      -2.046817     -5.321068      6.850820
  C      -1.840921     -4.976495      8.185644
  C      -2.942726     -4.818341      9.012167
  F      -2.747356     -4.467764     10.312295
  C      -4.247199     -5.040326      8.556295
  C      -5.430399     -4.962208      9.437238
  O      -6.496184     -5.503602      9.190289
  C      -5.371999     -4.149861     10.753604
  O      -5.566963     -4.647430     11.833040
  C      -5.147004     -2.624381     10.550075
  O      -4.883350     -2.135795      9.491665
  Cl     -5.308570     -1.689181     12.050935
  C      -4.430259     -5.389547      7.211754
  H      -1.353716     -2.115242      3.040016
  H      -1.082894      0.333421      3.455511
  H      -5.593356     -1.555816      2.507082
  H      -8.565170     -7.116164      2.714021
  H     -10.816200     -6.884747      3.654657
  H      -7.302526     -3.623665      4.918018
  H      -1.183681     -5.421982      6.191129
  H      -0.838615     -4.820761      8.585273
  H      -5.445476     -5.559685      6.851499
  N      -5.143445     -3.349487      4.960098
  N      -5.473780     -2.491290      5.784208
  H      -4.733278     -1.811350      6.023523
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058789067328
  N      -3.659567     -3.397827      2.576374
  C      -3.024732     -3.948468      1.369427
  C      -2.705689     -5.418248      1.593364
  N      -3.839353     -6.077573      2.287968
  C      -4.974212     -6.347257      1.375678
  C      -6.274763     -6.498642      2.148609
  N      -6.429906     -5.443854      3.159319
  Mo     -4.680311     -4.607307      3.774543
  N      -3.590693     -5.766542      4.977485
  C      -2.747916     -6.800612      4.358177
  C      -3.410462     -7.263216      3.070286
  H      -2.636038     -7.661618      5.038286
  H      -1.727105     -6.425084      4.154175
  H      -4.312979     -7.838464      3.316872
  H      -2.739781     -7.907189      2.474718
  H      -7.094316     -6.452721      1.410539
  H      -6.335175     -7.498928      2.618906
  H      -5.053278     -5.483392      0.701305
  H      -4.783930     -7.245581      0.761228
  H      -2.091481     -3.409165      1.136404
  H      -3.688313     -3.810294      0.495357
  H      -1.828393     -5.500021      2.249363
  H      -2.475850     -5.936310      0.645804
  C      -3.502268     -2.000732      2.752357
  C      -2.233623     -1.442259      3.009361
  C      -2.078776     -0.076217      3.236159
  C      -3.202004      0.738760      3.185705
  F      -3.050020      2.064026      3.430601
  C      -4.477817      0.229447      2.906349
  C      -5.674975      1.077427      2.809256
  O      -6.811626      0.660788      2.617466
  C      -5.585607      2.610836      2.855984
  O      -5.391642      3.283920      1.873620
  C      -5.908646      3.194192      4.254369
  O      -5.902452      2.521691      5.243486
  Cl     -6.206897      4.939685      4.244585
  C      -4.607828     -1.153774      2.697029
  C      -7.720258     -5.350053      3.712916
  C      -8.756460     -6.257186      3.381244
  C     -10.042252     -6.134239      3.912379
  C     -10.330657     -5.105867      4.792818
  F     -11.575549     -5.008582      5.303820
  C      -9.327220     -4.200851      5.181632
  C      -9.555303     -3.099893      6.128130
  O     -10.627258     -2.605381      6.455325
  C      -8.383515     -2.560141      6.966340
  O      -7.872387     -3.234789      7.831300
  C      -8.073792     -1.041160      6.876204
  O      -7.621298     -0.378673      7.755337
  Cl     -8.376566     -0.408681      5.225532
  C      -8.044802     -4.342901      4.637535
  C      -3.348079     -5.512283      6.342300
  C      -2.048722     -5.347506      6.866203
  C      -1.847539     -5.012811      8.204564
  C      -2.952004     -4.853219      9.027046
  F      -2.760108     -4.513052     10.330687
  C      -4.255915     -5.064601      8.563984
  C      -5.444074     -4.985496      9.439202
  O      -6.506468     -5.530646      9.188048
  C      -5.391880     -4.164944     10.751193
  O      -5.603673     -4.654330     11.831184
  C      -5.145229     -2.643146     10.542995
  O      -4.849777     -2.164081      9.488582
  Cl     -5.333144     -1.696948     12.034057
  C      -4.434389     -5.403653      7.216771
  H      -1.361589     -2.096448      3.065543
  H      -1.105267      0.357530      3.464482
  H      -5.598747     -1.562680      2.494524
  H      -8.573077     -7.088554      2.703835
  H     -10.823415     -6.846631      3.645556
  H      -7.286393     -3.622711      4.932502
  H      -1.182838     -5.448892      6.210265
  H      -0.845958     -4.865840      8.609348
  H      -5.448722     -5.565294      6.850259
  N      -5.136852     -3.348755      4.974425
  N      -5.466471     -2.493527      5.801365
  H      -4.727420     -1.813838      6.045207
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.058953653651
  N      -3.653008     -3.393068      2.590561
  C      -3.017284     -3.939729      1.382409
  C      -2.699806     -5.410410      1.602630
  N      -3.834293     -6.071179      2.293774
  C      -4.969399     -6.334179      1.380377
  C      -6.271720     -6.482732      2.150894
  N      -6.423332     -5.431490      3.165886
  Mo     -4.671428     -4.605108      3.787762
  N      -3.587748     -5.774158      4.985192
  C      -2.746314     -6.807440      4.361424
  C      -3.408649     -7.261424      3.070356
  H      -2.639058     -7.672376      5.037139
  H      -1.724803     -6.432514      4.160971
  H      -4.312849     -7.836027      3.312402
  H      -2.738770     -7.904366      2.472635
  H      -7.090181     -6.430582      1.412139
  H      -6.337147     -7.484700      2.617164
  H      -5.044714     -5.469268      0.706841
  H      -4.782268     -7.231618      0.763561
  H      -2.083276     -3.400160      1.152830
  H      -3.679974     -3.797332      0.508243
  H      -1.823714     -5.494038      2.260128
  H      -2.467814     -5.925502      0.653988
  C      -3.508646     -1.993420      2.758365
  C      -2.245339     -1.424049      3.020806
  C      -2.100817     -0.055124      3.234469
  C      -3.229344      0.751898      3.165039
  F      -3.088691      2.081011      3.393997
  C      -4.499232      0.231857      2.881713
  C      -5.701009      1.069813      2.764335
  O      -6.832015      0.642347      2.560481
  C      -5.629035      2.603456      2.805944
  O      -5.443823      3.275579      1.821071
  C      -5.956710      3.187338      4.202921
  O      -5.944975      2.516808      5.193282
  Cl     -6.271199      4.930047      4.187077
  C      -4.618788     -1.155185      2.685870
  C      -7.715296     -5.332762      3.714638
  C      -8.758865     -6.227436      3.375764
  C     -10.043338     -6.095349      3.908775
  C     -10.322775     -5.071939      4.797849
  F     -11.566839     -4.967633      5.309800
  C      -9.311541     -4.179165      5.193351
  C      -9.521185     -3.081944      6.148427
  O     -10.585617     -2.584456      6.494100
  C      -8.336333     -2.559630      6.982315
  O      -7.862109     -3.235999      7.866465
  C      -7.963585     -1.055588      6.865526
  O      -7.448216     -0.409383      7.722512
  Cl     -8.320332     -0.413949      5.231945
  C      -8.032375     -4.328253      4.644913
  C      -3.349691     -5.530435      6.353264
  C      -2.052033     -5.369460      6.880989
  C      -1.856112     -5.044511      8.223042
  C      -2.963266     -4.890564      9.042492
  F      -2.773903     -4.560267     10.349318
  C      -4.266220     -5.096972      8.573829
  C      -5.459320     -5.017135      9.443170
  O      -6.517879     -5.567175      9.189302
  C      -5.412439     -4.188811     10.751474
  O      -5.635112     -4.673139     11.831655
  C      -5.153615     -2.669117     10.541837
  O      -4.830899     -2.195341      9.493130
  Cl     -5.369591     -1.717287     12.025702
  C      -4.439512     -5.427014      7.224059
  H      -1.371064     -2.073987      3.090255
  H      -1.132157      0.387708      3.465833
  H      -5.605644     -1.571271      2.478118
  H      -8.583269     -7.055795      2.692495
  H     -10.832046     -6.797681      3.637285
  H      -7.265321     -3.619749      4.944977
  H      -1.183561     -5.464226      6.227642
  H      -0.855937     -4.899912      8.632108
  H      -5.452420     -5.583404      6.851407
  N      -5.125543     -3.349733      4.993087
  N      -5.453927     -2.497564      5.823440
  H      -4.717433     -1.817923      6.074187
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059033326147
  N      -3.650621     -3.390097      2.591440
  C      -3.014868     -3.934923      1.383011
  C      -2.700875     -5.406874      1.599795
  N      -3.835872     -6.067232      2.290548
  C      -4.972164     -6.328093      1.377726
  C      -6.272913     -6.478666      2.150442
  N      -6.422260     -5.430260      3.168781
  Mo     -4.669557     -4.603213      3.788037
  N      -3.587993     -5.774789      4.983094
  C      -2.746144     -6.806138      4.357126
  C      -3.409195     -7.258920      3.065306
  H      -2.637381     -7.672135      5.031251
  H      -1.724952     -6.430650      4.156274
  H      -4.312759     -7.834435      3.307358
  H      -2.739290     -7.900442      2.466222
  H      -7.093347     -6.423971      1.414028
  H      -6.337901     -7.481861      2.614054
  H      -5.048376     -5.461002      0.707041
  H      -4.784768     -7.223365      0.757979
  H      -2.079142     -3.397338      1.155614
  H      -3.675977     -3.789563      0.507931
  H      -1.824735     -5.493762      2.256827
  H      -2.470519     -5.920781      0.650130
  C      -3.507636     -1.991010      2.762615
  C      -2.248335     -1.420553      3.039869
  C      -2.108346     -0.051828      3.256822
  C      -3.236213      0.754417      3.176433
  F      -3.099435      2.083566      3.408483
  C      -4.502509      0.233762      2.877688
  C      -5.705125      1.069838      2.753076
  O      -6.831974      0.640023      2.532738
  C      -5.637563      2.603236      2.811792
  O      -5.450058      3.285087      1.834105
  C      -5.971144      3.169862      4.213888
  O      -5.966837      2.487856      5.196392
  Cl     -6.281189      4.914487      4.217500
  C      -4.617791     -1.152893      2.678029
  C      -7.712199     -5.334063      3.722101
  C      -8.759566     -6.224262      3.382592
  C     -10.040686     -6.092000      3.924677
  C     -10.313285     -5.074117      4.822171
  F     -11.554193     -4.970879      5.342057
  C      -9.297914     -4.185247      5.217127
  C      -9.498150     -3.091648      6.178030
  O     -10.559028     -2.597550      6.541489
  C      -8.304726     -2.563642      6.993458
  O      -7.849707     -3.226216      7.901109
  C      -7.892534     -1.075996      6.827093
  O      -7.322694     -0.429874      7.648644
  Cl     -8.310160     -0.444252      5.201135
  C      -8.023013     -4.334434      4.659862
  C      -3.354438     -5.535555      6.353046
  C      -2.058546     -5.377811      6.885810
  C      -1.867019     -5.054996      8.229207
  C      -2.977673     -4.898702      9.043835
  F      -2.793785     -4.569541     10.351560
  C      -4.278702     -5.102687      8.569816
  C      -5.474451     -5.020414      9.434827
  O      -6.526600     -5.585886      9.188527
  C      -5.441252     -4.164935     10.726594
  O      -5.684725     -4.625770     11.812537
  C      -5.165389     -2.651723     10.492915
  O      -4.819342     -2.199178      9.442441
  Cl     -5.402707     -1.670892     11.954626
  C      -4.447341     -5.432295      7.219555
  H      -1.373891     -2.069523      3.116712
  H      -1.143366      0.392936      3.500026
  H      -5.602631     -1.568257      2.459207
  H      -8.591131     -7.048155      2.692173
  H     -10.832887     -6.790402      3.653058
  H      -7.253523     -3.628362      4.959044
  H      -1.187968     -5.472358      6.235253
  H      -0.868557     -4.913091      8.643246
  H      -5.458847     -5.587640      6.842702
  N      -5.123566     -3.348543      4.992883
  N      -5.456982     -2.497634      5.822710
  H      -4.724549     -1.813015      6.071852
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059013926058
  N      -3.644946     -3.391215      2.601111
  C      -3.008124     -3.933442      1.393561
  C      -2.697061     -5.405998      1.607769
  N      -3.832730     -6.068810      2.292894
  C      -4.970712     -6.322315      1.381301
  C      -6.270566     -6.469788      2.155603
  N      -6.415670     -5.424823      3.179521
  Mo     -4.657250     -4.611901      3.802180
  N      -3.585094     -5.789739      4.985582
  C      -2.747328     -6.825144      4.359582
  C      -3.407054     -7.266326      3.060159
  H      -2.653089     -7.696427      5.028919
  H      -1.722164     -6.456799      4.167895
  H      -4.310802     -7.844971      3.293847
  H      -2.734700     -7.903292      2.458989
  H      -7.093364     -6.408893      1.422547
  H      -6.338918     -7.474910      2.614866
  H      -5.044088     -5.454463      0.710973
  H      -4.786403     -7.215511      0.757560
  H      -2.070327     -3.398657      1.167730
  H      -3.667591     -3.785256      0.517100
  H      -1.825008     -5.493296      2.270683
  H      -2.459631     -5.917509      0.658500
  C      -3.513534     -1.992302      2.765779
  C      -2.259628     -1.409687      3.048860
  C      -2.127038     -0.039956      3.252230
  C      -3.256395      0.760890      3.154758
  F      -3.127780      2.094228      3.367234
  C      -4.518576      0.232931      2.855846
  C      -5.723228      1.064199      2.729037
  O      -6.847747      0.627324      2.506118
  C      -5.667880      2.597237      2.788668
  O      -5.505102      3.272875      1.801842
  C      -5.975691      3.168299      4.193008
  O      -5.960967      2.494351      5.179624
  Cl     -6.277127      4.918001      4.187426
  C      -4.626833     -1.158410      2.666954
  C      -7.707988     -5.324928      3.722792
  C      -8.762517     -6.202685      3.377760
  C     -10.041056     -6.057799      3.924397
  C     -10.304278     -5.043286      4.826833
  F     -11.543957     -4.933068      5.349785
  C      -9.280610     -4.165015      5.225003
  C      -9.469443     -3.066223      6.180929
  O     -10.527388     -2.556139      6.534094
  C      -8.278000     -2.559023      7.012225
  O      -7.840442     -3.220929      7.922708
  C      -7.830163     -1.086936      6.849961
  O      -7.278633     -0.437271      7.680684
  Cl     -8.219450     -0.457727      5.210379
  C      -8.010254     -4.323074      4.662402
  C      -3.357156     -5.551400      6.359983
  C      -2.063802     -5.346676      6.879247
  C      -1.875751     -5.016996      8.222576
  C      -2.988146     -4.897702      9.041911
  F      -2.803893     -4.559230     10.347401
  C      -4.285544     -5.140513      8.576227
  C      -5.482826     -5.067427      9.439394
  O      -6.528880     -5.645048      9.198243
  C      -5.459511     -4.195291     10.721835
  O      -5.703388     -4.648589     11.811231
  C      -5.189530     -2.683414     10.478147
  O      -4.822523     -2.237962      9.431843
  Cl     -5.463854     -1.692961     11.926863
  C      -4.449116     -5.480717      7.228221
  H      -1.384599     -2.057043      3.134540
  H      -1.167287      0.415396      3.497415
  H      -5.611291     -1.572700      2.443660
  H      -8.606055     -7.025509      2.683277
  H     -10.842917     -6.745170      3.652177
  H      -7.229850     -3.630040      4.963265
  H      -1.195573     -5.405413      6.221601
  H      -0.881931     -4.837512      8.632847
  H      -5.457185     -5.660789      6.852900
  N      -5.103400     -3.364534      5.017540
  N      -5.436127     -2.518292      5.853547
  H      -4.709034     -1.832131      6.113057
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059147656111
  N      -3.646186     -3.391859      2.592643
  C      -3.013338     -3.936104      1.383108
  C      -2.700608     -5.408402      1.598413
  N      -3.835265     -6.069228      2.288552
  C      -4.974349     -6.326200      1.378335
  C      -6.272963     -6.474783      2.154758
  N      -6.418046     -5.427552      3.175790
  Mo     -4.660910     -4.608501      3.792792
  N      -3.583280     -5.782748      4.980258
  C      -2.745266     -6.817259      4.354506
  C      -3.408008     -7.263979      3.059306
  H      -2.643940     -7.685766      5.026506
  H      -1.721479     -6.446906      4.157758
  H      -4.311296     -7.841122      3.298385
  H      -2.737550     -7.902747      2.458018
  H      -7.095990     -6.416764      1.421576
  H      -6.339094     -7.478641      2.616774
  H      -5.050011     -5.458401      0.708428
  H      -4.789759     -7.220609      0.756530
  H      -2.076798     -3.400534      1.153915
  H      -3.675414     -3.789714      0.508668
  H      -1.825333     -5.495691      2.256769
  H      -2.469002     -5.921773      0.648753
  C      -3.508084     -1.992904      2.761346
  C      -2.251554     -1.418040      3.043946
  C      -2.114614     -0.049358      3.258180
  C      -3.242427      0.755235      3.170510
  F      -3.108257      2.085510      3.398267
  C      -4.506871      0.232424      2.867863
  C      -5.709842      1.067656      2.743201
  O      -6.835247      0.636523      2.516780
  C      -5.646316      2.601000      2.810541
  O      -5.466728      3.284320      1.832262
  C      -5.971884      3.164242      4.215136
  O      -5.967724      2.482795      5.197226
  Cl     -6.274388      4.912153      4.221037
  C      -4.619377     -1.155699      2.670290
  C      -7.707380     -5.329431      3.728274
  C      -8.759097     -6.213851      3.388102
  C     -10.037653     -6.076510      3.935583
  C     -10.303371     -5.060718      4.836823
  F     -11.542097     -4.954689      5.361880
  C      -9.283079     -4.176688      5.230915
  C      -9.477662     -3.081921      6.191191
  O     -10.537250     -2.579335      6.547969
  C      -8.283758     -2.562205      7.011378
  O      -7.834454     -3.220378      7.922556
  C      -7.855412     -1.083217      6.840390
  O      -7.296758     -0.430071      7.663612
  Cl     -8.263056     -0.458847      5.204713
  C      -8.011531     -4.329732      4.668331
  C      -3.353488     -5.543504      6.352380
  C      -2.059974     -5.354971      6.879718
  C      -1.872688     -5.025829      8.222506
  C      -2.985822     -4.890730      9.038267
  F      -2.805765     -4.552757     10.344084
  C      -4.283403     -5.120539      8.567363
  C      -5.481343     -5.044959      9.429377
  O      -6.525994     -5.626294      9.188261
  C      -5.463245     -4.173302     10.711144
  O      -5.703169     -4.626519     11.801240
  C      -5.207512     -2.658930     10.464041
  O      -4.848411     -2.212020      9.415661
  Cl     -5.487567     -1.666486     11.910349
  C      -4.446857     -5.460485      7.218895
  H      -1.377219     -2.066759      3.125165
  H      -1.152316      0.399429      3.505077
  H      -5.604377     -1.569516      2.448871
  H      -8.598136     -7.036639      2.694621
  H     -10.834778     -6.769819      3.665009
  H      -7.237059     -3.629308      4.966990
  H      -1.189723     -5.428949      6.226091
  H      -0.877582     -4.860169      8.635656
  H      -5.455621     -5.633927      6.842419
  N      -5.108168     -3.357629      5.003767
  N      -5.441122     -2.510427      5.838501
  H      -4.712393     -1.823215      6.090861
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059168359630
  N      -3.647708     -3.391232      2.592289
  C      -3.015935     -3.935150      1.381905
  C      -2.701548     -5.407250      1.597117
  N      -3.835591     -6.068723      2.288193
  C      -4.975155     -6.326000      1.378381
  C      -6.273547     -6.475041      2.155257
  N      -6.418242     -5.427864      3.176285
  Mo     -4.661106     -4.608346      3.792488
  N      -3.581994     -5.782602      4.979066
  C      -2.744455     -6.817101      4.353297
  C      -3.407596     -7.263496      3.058460
  H      -2.642767     -7.685646      5.025210
  H      -1.720515     -6.446874      4.156546
  H      -4.310652     -7.840863      3.297885
  H      -2.737245     -7.901644      2.456410
  H      -7.096551     -6.417028      1.422028
  H      -6.339469     -7.478805      2.617439
  H      -5.051287     -5.457894      0.709016
  H      -4.790798     -7.220496      0.756657
  H      -2.080019     -3.398707      1.151938
  H      -3.678846     -3.789242      0.508158
  H      -1.825497     -5.494026      2.254430
  H      -2.470801     -5.920497      0.647192
  C      -3.509591     -1.992012      2.761978
  C      -2.252986     -1.418616      3.046126
  C      -2.115757     -0.050197      3.263884
  C      -3.243844      0.754515      3.177769
  F      -3.109389      2.083968      3.409971
  C      -4.508185      0.232253      2.872884
  C      -5.710619      1.068290      2.746573
  O      -6.835491      0.638942      2.515118
  C      -5.643957      2.601834      2.813891
  O      -5.458801      3.285429      1.836888
  C      -5.972553      3.166511      4.217580
  O      -5.974042      2.484964      5.199732
  Cl     -6.272992      4.914432      4.222642
  C      -4.620786     -1.154942      2.672291
  C      -7.706752     -5.329907      3.731503
  C      -8.758632     -6.214356      3.391652
  C     -10.036919     -6.078372      3.939734
  C     -10.301968     -5.063351      4.842350
  F     -11.540147     -4.957875      5.368293
  C      -9.281359     -4.179837      5.236809
  C      -9.475753     -3.087333      6.200068
  O     -10.534849     -2.580588      6.550937
  C      -8.280196     -2.563938      7.016190
  O      -7.835073     -3.214192      7.935577
  C      -7.847882     -1.086993      6.830368
  O      -7.275497     -0.431397      7.642139
  Cl     -8.251851     -0.478615      5.188076
  C      -8.010063     -4.332029      4.673346
  C      -3.353248     -5.543568      6.351037
  C      -2.060933     -5.352493      6.880697
  C      -1.876344     -5.021963      8.223252
  C      -2.990834     -4.887623      9.037406
  F      -2.814666     -4.546543     10.342771
  C      -4.287057     -5.120681      8.564560
  C      -5.486838     -5.045586      9.423977
  O      -6.531812     -5.624456      9.177579
  C      -5.474986     -4.169943     10.702692
  O      -5.725234     -4.618094     11.792502
  C      -5.199104     -2.659287     10.453661
  O      -4.806234     -2.222086      9.413379
  Cl     -5.497876     -1.656782     11.889371
  C      -4.447972     -5.462530      7.216212
  H      -1.378743     -2.067420      3.127214
  H      -1.153358      0.397432      3.512244
  H      -5.605481     -1.569223      2.450502
  H      -8.597522     -7.036284      2.697154
  H     -10.833616     -6.771894      3.668602
  H      -7.236231     -3.631209      4.972109
  H      -1.189668     -5.426464      6.228317
  H      -0.882065     -4.854392      8.637720
  H      -5.455811     -5.638941      6.838717
  N      -5.108587     -3.358162      5.004174
  N      -5.441895     -2.511986      5.839349
  H      -4.714114     -1.823158      6.089939
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059185693040
  N      -3.650238     -3.390597      2.589263
  C      -3.022675     -3.934221      1.376517
  C      -2.705670     -5.406046      1.590883
  N      -3.837345     -6.068626      2.285556
  C      -4.980007     -6.325745      1.379158
  C      -6.276326     -6.474835      2.159839
  N      -6.417503     -5.427785      3.181407
  Mo     -4.658179     -4.609061      3.792501
  N      -3.574463     -5.783787      4.973773
  C      -2.739607     -6.818873      4.346588
  C      -3.406249     -7.263862      3.053327
  H      -2.637461     -7.687880      5.017865
  H      -1.715328     -6.449870      4.148459
  H      -4.308291     -7.841977      3.294771
  H      -2.737217     -7.900473      2.448207
  H      -7.101093     -6.416324      1.428612
  H      -6.341361     -7.478477      2.622337
  H      -5.058035     -5.457123      0.710816
  H      -4.797914     -7.220351      0.756964
  H      -2.087933     -3.396882      1.143376
  H      -3.688501     -3.788914      0.505077
  H      -1.827341     -5.492111      2.245162
  H      -2.477811     -5.918995      0.640109
  C      -3.510921     -1.991257      2.760441
  C      -2.253418     -1.420990      3.045665
  C      -2.114058     -0.053195      3.268299
  C      -3.241672      0.752825      3.184714
  F      -3.105216      2.081184      3.421925
  C      -4.506541      0.232759      2.877411
  C      -5.706343      1.072377      2.747260
  O      -6.831530      0.647806      2.510026
  C      -5.631014      2.606089      2.814314
  O      -5.438335      3.288445      1.837935
  C      -5.962322      3.175541      4.215860
  O      -5.969918      2.496401      5.199725
  Cl     -6.246108      4.926009      4.217972
  C      -4.621220     -1.153213      2.673435
  C      -7.703445     -5.329418      3.743619
  C      -8.757207     -6.212685      3.406529
  C     -10.033526     -6.077639      3.958938
  C     -10.294337     -5.063972      4.864687
  F     -11.530172     -4.958628      5.395405
  C      -9.271321     -4.182398      5.257457
  C      -9.462412     -3.092526      6.224869
  O     -10.519739     -2.576544      6.565168
  C      -8.263655     -2.567319      7.036076
  O      -7.825353     -3.204286      7.967856
  C      -7.823262     -1.094520      6.827764
  O      -7.246596     -0.428536      7.627880
  Cl     -8.246920     -0.502150      5.184337
  C      -8.002121     -4.334343      4.689394
  C      -3.345846     -5.544490      6.345472
  C      -2.055761     -5.338859      6.875188
  C      -1.875076     -5.003807      8.216778
  C      -2.991042     -4.879335      9.030817
  F      -2.820255     -4.533805     10.335389
  C      -4.284352     -5.128221      8.558179
  C      -5.486085     -5.062862      9.415531
  O      -6.521858     -5.659686      9.171688
  C      -5.491309     -4.176868     10.686589
  O      -5.741997     -4.619155     11.778627
  C      -5.249705     -2.662223     10.424716
  O      -4.851174     -2.225865      9.386321
  Cl     -5.651802     -1.646280     11.825523
  C      -4.441342     -5.475506      7.210717
  H      -1.379907     -2.070856      3.125589
  H      -1.150921      0.392008      3.517819
  H      -5.606131     -1.566776      2.451401
  H      -8.598620     -7.033265      2.709805
  H     -10.831001     -6.770582      3.688834
  H      -7.227667     -3.633953      4.986496
  H      -1.184101     -5.405825      6.222408
  H      -0.882709     -4.825057      8.631296
  H      -5.447053     -5.664592      6.833816
  N      -5.102279     -3.360994      5.007808
  N      -5.433501     -2.519126      5.847391
  H      -4.706762     -1.828292      6.095428
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059139663560
  N      -3.652213     -3.391065      2.585214
  C      -3.026445     -3.934636      1.371642
  C      -2.708881     -5.406551      1.585010
  N      -3.839533     -6.069724      2.281299
  C      -4.984223     -6.326285      1.376884
  C      -6.278899     -6.476168      2.160417
  N      -6.417781     -5.429732      3.182854
  Mo     -4.656957     -4.610995      3.790049
  N      -3.570389     -5.785843      4.967270
  C      -2.737761     -6.821955      4.339929
  C      -3.406362     -7.265702      3.047110
  H      -2.636256     -7.691337      5.010873
  H      -1.712722     -6.454883      4.141533
  H      -4.307649     -7.844563      3.289534
  H      -2.737978     -7.900866      2.439814
  H      -7.105183     -6.417152      1.430897
  H      -6.342929     -7.479961      2.622644
  H      -5.063736     -5.456677      0.710070
  H      -4.803242     -7.220368      0.753700
  H      -2.091864     -3.397446      1.137274
  H      -3.693128     -3.789388      0.500889
  H      -1.829547     -5.492988      2.237854
  H      -2.482735     -5.919161      0.633637
  C      -3.509796     -1.992433      2.760128
  C      -2.251858     -1.426308      3.050322
  C      -2.109986     -0.059617      3.279122
  C      -3.235519      0.749144      3.195567
  F      -3.096343      2.076211      3.438931
  C      -4.500605      0.233161      2.881425
  C      -5.696816      1.077748      2.746812
  O      -6.822936      0.658445      2.506256
  C      -5.612959      2.611117      2.823003
  O      -5.410935      3.296960      1.851017
  C      -5.950882      3.176770      4.224566
  O      -5.977317      2.492836      5.204763
  Cl     -6.228517      4.928392      4.231682
  C      -4.618160     -1.151537      2.672825
  C      -7.701371     -5.332317      3.751035
  C      -8.756418     -6.215134      3.416075
  C     -10.030853     -6.081954      3.973247
  C     -10.288480     -5.069915      4.881960
  F     -11.522094     -4.965996      5.417806
  C      -9.263984     -4.188751      5.272283
  C      -9.453374     -3.099481      6.240963
  O     -10.510495     -2.582875      6.580254
  C      -8.254156     -2.578108      7.053692
  O      -7.821956     -3.208233      7.992988
  C      -7.806727     -1.108425      6.834592
  O      -7.241105     -0.433023      7.634374
  Cl     -8.249877     -0.516949      5.194183
  C      -7.996512     -4.339984      4.700540
  C      -3.342631     -5.544627      6.338848
  C      -2.054669     -5.324713      6.867995
  C      -1.877270     -4.982754      8.208095
  C      -2.994798     -4.863786      9.021225
  F      -2.828702     -4.511470     10.324217
  C      -4.285463     -5.126226      8.549008
  C      -5.489153     -5.062912      9.403400
  O      -6.514543     -5.682090      9.170114
  C      -5.509365     -4.161685     10.663222
  O      -5.754778     -4.594563     11.760224
  C      -5.309489     -2.644291     10.381462
  O      -4.867020     -2.213440      9.358738
  Cl     -5.725793     -1.623874     11.774848
  C      -4.438674     -5.483504      7.203710
  H      -1.379584     -2.077844      3.130058
  H      -1.146567      0.382382      3.533169
  H      -5.603232     -1.562498      2.446706
  H      -8.600120     -7.034165      2.716997
  H     -10.828635     -6.774988      3.704402
  H      -7.222101     -3.639049      4.996199
  H      -1.182900     -5.386776      6.214756
  H      -0.886812     -4.793622      8.622610
  H      -5.442498     -5.683710      6.827583
  N      -5.099034     -3.365546      5.008614
  N      -5.429467     -2.531673      5.856375
  H      -4.703748     -1.840147      6.105770
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059251879004
  N      -3.652435     -3.392289      2.588613
  C      -3.023497     -3.934376      1.376177
  C      -2.707286     -5.406707      1.588131
  N      -3.839239     -6.070888      2.280811
  C      -4.982482     -6.325425      1.374246
  C      -6.278247     -6.476224      2.155702
  N      -6.418476     -5.431491      3.179688
  Mo     -4.658257     -4.614338      3.790847
  N      -3.574335     -5.790963      4.967418
  C      -2.741738     -6.827724      4.340583
  C      -3.407876     -7.268637      3.045109
  H      -2.643686     -7.698247      5.010550
  H      -1.715742     -6.462000      4.145247
  H      -4.309845     -7.847742      3.284409
  H      -2.738555     -7.903091      2.438096
  H      -7.103733     -6.416043      1.425377
  H      -6.342901     -7.480875      2.616050
  H      -5.060856     -5.454968      0.708309
  H      -4.800701     -7.218395      0.749711
  H      -2.088165     -3.397380      1.144715
  H      -3.688056     -3.787800      0.503841
  H      -1.829772     -5.494198      2.243376
  H      -2.478502     -5.917959      0.636637
  C      -3.510544     -1.994250      2.765470
  C      -2.253350     -1.427361      3.058436
  C      -2.112260     -0.060948      3.287335
  C      -3.237345      0.747871      3.201868
  F      -3.099017      2.074992      3.445604
  C      -4.501893      0.232218      2.885859
  C      -5.698701      1.076253      2.753104
  O      -6.825105      0.655391      2.516114
  C      -5.617936      2.609298      2.833698
  O      -5.420472      3.297356      1.862273
  C      -5.954801      3.170219      4.237029
  O      -5.979918      2.483674      5.215251
  Cl     -6.232575      4.922167      4.248726
  C      -4.618875     -1.153007      2.676268
  C      -7.703048     -5.335135      3.744795
  C      -8.757841     -6.217119      3.407099
  C     -10.032731     -6.083988      3.963752
  C     -10.291543     -5.072771      4.872828
  F     -11.525960     -4.969192      5.407533
  C      -9.267735     -4.191361      5.264047
  C      -9.457895     -3.099072      6.228973
  O     -10.516533     -2.591856      6.578814
  C      -8.261765     -2.589400      7.053722
  O      -7.833699     -3.229290      7.987234
  C      -7.809943     -1.118733      6.853455
  O      -7.250231     -0.452612      7.665020
  Cl     -8.206725     -0.520383      5.202788
  C      -7.999501     -4.342983      4.694423
  C      -3.347337     -5.549168      6.339596
  C      -2.059015     -5.327357      6.866578
  C      -1.880532     -4.982816      8.206224
  C      -2.997764     -4.860347      9.019162
  F      -2.829814     -4.503180     10.320609
  C      -4.289201     -5.121101      8.548028
  C      -5.493558     -5.044264      9.400215
  O      -6.524733     -5.653676      9.167459
  C      -5.510932     -4.130116     10.651064
  O      -5.740775     -4.553515     11.755250
  C      -5.270865     -2.620390     10.360127
  O      -4.828296     -2.206104      9.330569
  Cl     -5.686498     -1.578689     11.737705
  C      -4.442944     -5.484196      7.204390
  H      -1.381128     -2.078958      3.138729
  H      -1.149528      0.381471      3.543502
  H      -5.603663     -1.563146      2.447300
  H      -8.601225     -7.035616      2.707464
  H     -10.830653     -6.776542      3.693932
  H      -7.224690     -3.642984      4.992154
  H      -1.187886     -5.389698      6.212613
  H      -0.889929     -4.792506      8.619738
  H      -5.447347     -5.682080      6.828452
  N      -5.101737     -3.371822      5.012035
  N      -5.433153     -2.543164      5.865414
  H      -4.707960     -1.853525      6.121686
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059267838267
  N      -3.655297     -3.390681      2.591240
  C      -3.028293     -3.930861      1.377016
  C      -2.710467     -5.403125      1.587083
  N      -3.840248     -6.069090      2.281398
  C      -4.985178     -6.323180      1.376938
  C      -6.279558     -6.474959      2.160497
  N      -6.417974     -5.431215      3.185557
  Mo     -4.657019     -4.614351      3.794677
  N      -3.570280     -5.792534      4.967189
  C      -2.738171     -6.828184      4.337753
  C      -3.406399     -7.267638      3.042841
  H      -2.639204     -7.699504      5.006509
  H      -1.712670     -6.461711      4.141478
  H      -4.307490     -7.847822      3.282869
  H      -2.737839     -7.900726      2.433556
  H      -7.106319     -6.414496      1.431630
  H      -6.343086     -7.480063      2.620087
  H      -5.065188     -5.452387      0.711605
  H      -4.804485     -7.215628      0.751336
  H      -2.093897     -3.392735      1.144463
  H      -3.694745     -3.783816      0.506166
  H      -1.831642     -5.490346      2.240643
  H      -2.482896     -5.913218      0.634682
  C      -3.514371     -1.992610      2.768863
  C      -2.256891     -1.425375      3.060323
  C      -2.116012     -0.058938      3.288984
  C      -3.241742      0.749378      3.205573
  F      -3.103869      2.076376      3.449953
  C      -4.506774      0.233236      2.892910
  C      -5.705253      1.075677      2.765301
  O      -6.830449      0.653330      2.525009
  C      -5.624430      2.609277      2.829603
  O      -5.432482      3.287853      1.850335
  C      -5.946237      3.183787      4.230988
  O      -5.952909      2.507954      5.216949
  Cl     -6.203641      4.938778      4.230785
  C      -4.623225     -1.152093      2.682179
  C      -7.701403     -5.335732      3.753132
  C      -8.756824     -6.217072      3.416453
  C     -10.030685     -6.083971      3.975494
  C     -10.288316     -5.072592      4.884700
  F     -11.522616     -4.967744      5.419555
  C      -9.263939     -4.191627      5.274905
  C      -9.453154     -3.095740      6.236427
  O     -10.510882     -2.583093      6.580782
  C      -8.255581     -2.577974      7.055746
  O      -7.835191     -3.205885      8.000917
  C      -7.795414     -1.112318      6.834618
  O      -7.220705     -0.442765      7.632906
  Cl     -8.183271     -0.537098      5.174067
  C      -7.996293     -4.344043      4.703991
  C      -3.341781     -5.552545      6.339611
  C      -2.053783     -5.324893      6.864461
  C      -1.875083     -4.980734      8.204314
  C      -2.991428     -4.866868      9.019606
  F      -2.822931     -4.509506     10.320828
  C      -4.281986     -5.136616      8.550884
  C      -5.485896     -5.069500      9.404626
  O      -6.512134     -5.687295      9.172568
  C      -5.514217     -4.143962     10.646626
  O      -5.767696     -4.555623     11.750134
  C      -5.292803     -2.634166     10.342138
  O      -4.819844     -2.225679      9.323845
  Cl     -5.800825     -1.580477     11.678977
  C      -4.436212     -5.496403      7.206487
  H      -1.384381     -2.076815      3.138758
  H      -1.152999      0.383727      3.543633
  H      -5.608068     -1.562815      2.454557
  H      -8.601444     -7.034905      2.715727
  H     -10.829333     -6.775990      3.706408
  H      -7.220608     -3.645028      5.001450
  H      -1.183518     -5.380955      6.208800
  H      -0.884907     -4.784460      8.616046
  H      -5.440037     -5.699641      6.831838
  N      -5.099169     -3.374029      5.018848
  N      -5.432086     -2.540317      5.866762
  H      -4.709416     -1.846484      6.118557
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059282500270
  N      -3.656029     -3.390084      2.593721
  C      -3.030592     -3.928001      1.377640
  C      -2.713010     -5.400910      1.584149
  N      -3.842167     -6.067924      2.278802
  C      -4.988698     -6.319170      1.375322
  C      -6.282105     -6.472292      2.160408
  N      -6.418081     -5.431094      3.188123
  Mo     -4.656004     -4.615715      3.795829
  N      -3.567232     -5.797346      4.963389
  C      -2.737207     -6.832723      4.331391
  C      -3.407615     -7.268650      3.036464
  H      -2.638508     -7.705385      4.998439
  H      -1.711325     -6.467249      4.134927
  H      -4.308636     -7.848912      3.276567
  H      -2.740459     -7.900343      2.424246
  H      -7.109743     -6.409645      1.432668
  H      -6.345483     -7.478438      2.617717
  H      -5.069337     -5.446441      0.712658
  H      -4.809540     -7.210240      0.747353
  H      -2.096282     -3.389556      1.145403
  H      -3.697829     -3.778873      0.507808
  H      -1.833136     -5.490116      2.235993
  H      -2.487453     -5.909046      0.630230
  C      -3.512575     -1.992609      2.776003
  C      -2.254855     -1.429217      3.072801
  C      -2.112311     -0.063519      3.306245
  C      -3.236369      0.747124      3.220735
  F      -3.096548      2.073287      3.468551
  C      -4.501117      0.234281      2.901191
  C      -5.696975      1.079615      2.766451
  O      -6.821465      0.660323      2.518475
  C      -5.611547      2.612982      2.832611
  O      -5.406097      3.292324      1.856676
  C      -5.941534      3.186766      4.232597
  O      -5.983596      2.504724      5.213598
  Cl     -6.226518      4.937241      4.229115
  C      -4.619536     -1.150079      2.687434
  C      -7.699512     -5.337185      3.760891
  C      -8.756048     -6.217008      3.423433
  C     -10.028946     -6.085594      3.984851
  C     -10.284556     -5.077013      4.897900
  F     -11.517855     -4.973364      5.435069
  C      -9.258741     -4.198870      5.290521
  C      -9.445898     -3.107594      6.258299
  O     -10.501736     -2.588450      6.597747
  C      -8.245889     -2.588345      7.074325
  O      -7.833529     -3.209344      8.028390
  C      -7.777807     -1.126447      6.839298
  O      -7.201342     -0.452129      7.632297
  Cl     -8.210526     -0.544656      5.192297
  C      -7.991904     -4.349701      4.716990
  C      -3.338510     -5.558986      6.335893
  C      -2.051549     -5.327711      6.861649
  C      -1.875023     -4.980027      8.200868
  C      -2.992500     -4.865295      9.014701
  F      -2.827437     -4.500799     10.314057
  C      -4.281613     -5.140399      8.545289
  C      -5.488111     -5.068609      9.394822
  O      -6.510783     -5.693805      9.166194
  C      -5.530147     -4.120454     10.618706
  O      -5.797248     -4.510877     11.726767
  C      -5.295881     -2.617360     10.291115
  O      -4.773120     -2.230290      9.288912
  Cl     -5.885242     -1.534718     11.570035
  C      -4.433557     -5.505038      7.202105
  H      -1.383550     -2.082123      3.152140
  H      -1.149194      0.376243      3.565366
  H      -5.603778     -1.559233      2.454600
  H      -8.602107     -7.031737      2.718770
  H     -10.828052     -6.776433      3.714192
  H      -7.216375     -3.651046      5.015398
  H      -1.180806     -5.383086      6.206487
  H      -0.885667     -4.780160      8.612885
  H      -5.436554     -5.711294      6.826942
  N      -5.096588     -3.379689      5.024907
  N      -5.429596     -2.551586      5.878007
  H      -4.708695     -1.856154      6.130310
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059314600064
  N      -3.658241     -3.391552      2.593891
  C      -3.034130     -3.926750      1.375904
  C      -2.716127     -5.400194      1.578314
  N      -3.844349     -6.069168      2.273046
  C      -4.992690     -6.317709      1.370775
  C      -6.284770     -6.473148      2.157896
  N      -6.418555     -5.434983      3.188795
  Mo     -4.655382     -4.620587      3.794379
  N      -3.563661     -5.804841      4.955738
  C      -2.735986     -6.840405      4.321958
  C      -3.408213     -7.272250      3.026430
  H      -2.638556     -7.714544      4.987280
  H      -1.709281     -6.476648      4.126118
  H      -4.308781     -7.853345      3.266199
  H      -2.742046     -7.901648      2.410860
  H      -7.113614     -6.408470      1.431653
  H      -6.347252     -7.480549      2.612524
  H      -5.074584     -5.442709      0.711333
  H      -4.814833     -7.206990      0.739949
  H      -2.100116     -3.387636      1.143951
  H      -3.702189     -3.775747      0.507101
  H      -1.835264     -5.491166      2.228546
  H      -2.492215     -5.905930      0.622730
  C      -3.511136     -1.995167      2.782651
  C      -2.253069     -1.436979      3.086849
  C      -2.107763     -0.072726      3.327842
  C      -3.229068      0.741425      3.240709
  F      -3.086166      2.066278      3.494097
  C      -4.493478      0.233956      2.911243
  C      -5.684574      1.085088      2.768104
  O      -6.811054      0.671244      2.520821
  C      -5.592842      2.617364      2.855898
  O      -5.381108      3.308424      1.889712
  C      -5.947788      3.174990      4.256396
  O      -5.980210      2.485914      5.232823
  Cl     -6.187459      4.931994      4.276176
  C      -4.615394     -1.149100      2.692391
  C      -7.697453     -5.343858      3.767985
  C      -8.754773     -6.222808      3.429942
  C     -10.026521     -6.094315      3.994371
  C     -10.279938     -5.089698      4.912498
  F     -11.511434     -4.989369      5.454218
  C      -9.252758     -4.214257      5.307492
  C      -9.437555     -3.130539      6.284420
  O     -10.491959     -2.608728      6.623129
  C      -8.236301     -2.619302      7.104655
  O      -7.829747     -3.241540      8.060139
  C      -7.763862     -1.157803      6.873336
  O      -7.192174     -0.484498      7.670559
  Cl     -8.217455     -0.561453      5.236697
  C      -7.987151     -4.361757      4.730427
  C      -3.336064     -5.565394      6.328186
  C      -2.051644     -5.322942      6.854919
  C      -1.880353     -4.964482      8.192047
  C      -3.000876     -4.845419      9.001594
  F      -2.842742     -4.465374     10.296853
  C      -4.287116     -5.130616      8.530683
  C      -5.499437     -5.043468      9.370134
  O      -6.512649     -5.689927      9.157885
  C      -5.562590     -4.057399     10.562278
  O      -5.816451     -4.416946     11.683975
  C      -5.327989     -2.563850     10.192890
  O      -4.742361     -2.204845      9.215160
  Cl     -5.977394     -1.446199     11.410696
  C      -4.432844     -5.512497      7.191936
  H      -1.383547     -2.092130      3.166901
  H      -1.144437      0.362752      3.593253
  H      -5.599239     -1.555116      2.452624
  H      -8.602176     -7.033935      2.720869
  H     -10.825654     -6.784550      3.722352
  H      -7.212634     -3.662461      5.029815
  H      -1.179640     -5.377396      6.201242
  H      -0.893128     -4.755956      8.604914
  H      -5.433981     -5.725225      6.815498
  N      -5.094530     -3.390954      5.030416
  N      -5.426136     -2.578758      5.899209
  H      -4.706846     -1.883997      6.157873
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059408627688
  N      -3.660498     -3.394713      2.590410
  C      -3.040402     -3.928823      1.370166
  C      -2.722225     -5.402511      1.570057
  N      -3.847837     -6.072567      2.267809
  C      -4.999779     -6.320097      1.369878
  C      -6.288693     -6.476090      2.162161
  N      -6.418469     -5.438769      3.194552
  Mo     -4.652633     -4.625576      3.793646
  N      -3.557353     -5.810473      4.948262
  C      -2.732074     -6.846587      4.312803
  C      -3.407849     -7.276612      3.017867
  H      -2.635388     -7.721447      4.977276
  H      -1.705077     -6.484344      4.115843
  H      -4.306982     -7.859238      3.259272
  H      -2.743007     -7.904141      2.399045
  H      -7.120649     -6.410933      1.439532
  H      -6.349214     -7.483951      2.616075
  H      -5.084277     -5.444484      0.711533
  H      -4.824316     -7.208549      0.737241
  H      -2.106878     -3.390081      1.135510
  H      -3.711184     -3.777021      0.503496
  H      -1.839598     -5.494001      2.217898
  H      -2.500827     -5.907313      0.613376
  C      -3.509272     -1.999756      2.783376
  C      -2.249349     -1.445406      3.087580
  C      -2.099947     -0.082651      3.332905
  C      -3.218882      0.734823      3.252035
  F      -3.072152      2.058368      3.510454
  C      -4.485604      0.232246      2.924642
  C      -5.675305      1.087339      2.793566
  O      -6.805530      0.676911      2.557765
  C      -5.579506      2.618702      2.893296
  O      -5.369319      3.315070      1.930590
  C      -5.924699      3.167776      4.299273
  O      -5.975546      2.469702      5.268204
  Cl     -6.178713      4.923207      4.328312
  C      -4.611609     -1.149835      2.699254
  C      -7.694461     -5.348789      3.779372
  C      -8.753452     -6.227439      3.445539
  C     -10.022515     -6.098705      4.016157
  C     -10.271842     -5.094122      4.935154
  F     -11.501073     -4.993289      5.482287
  C      -9.242866     -4.218381      5.324731
  C      -9.424732     -3.130484      6.297031
  O     -10.479015     -2.610602      6.639540
  C      -8.224129     -2.624067      7.121598
  O      -7.819301     -3.244373      8.077296
  C      -7.749563     -1.163843      6.893585
  O      -7.173034     -0.493895      7.690041
  Cl     -8.132996     -0.590785      5.229280
  C      -7.979660     -4.366821      4.743491
  C      -3.329285     -5.568408      6.320810
  C      -2.047666     -5.305658      6.843901
  C      -1.879948     -4.936949      8.179005
  C      -3.001681     -4.825376      8.988215
  F      -2.847313     -4.435251     10.280504
  C      -4.284384     -5.129972      8.520256
  C      -5.499726     -5.042501      9.355003
  O      -6.492837     -5.727848      9.171275
  C      -5.590993     -4.018262     10.512899
  O      -5.826540     -4.347642     11.648024
  C      -5.414674     -2.529797     10.094457
  O      -4.793337     -2.176361      9.136763
  Cl     -6.164247     -1.403983     11.244572
  C      -4.425419     -5.526399      7.185367
  H      -1.381350     -2.103154      3.162952
  H      -1.135083      0.349678      3.598065
  H      -5.597492     -1.551573      2.460556
  H      -8.604540     -7.038590      2.735775
  H     -10.823110     -6.788840      3.748106
  H      -7.204315     -3.667435      5.040380
  H      -1.176159     -5.350791      6.188847
  H      -0.895409     -4.712905      8.590071
  H      -5.424100     -5.752825      6.810371
  N      -5.087492     -3.399563      5.034831
  N      -5.417409     -2.594562      5.911683
  H      -4.699698     -1.898880      6.172402
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059524286513
  N      -3.663232     -3.393648      2.593066
  C      -3.044757     -3.924583      1.370534
  C      -2.725446     -5.398520      1.567055
  N      -3.848797     -6.070590      2.266387
  C      -5.001913     -6.318385      1.370175
  C      -6.289207     -6.477494      2.164414
  N      -6.418526     -5.441864      3.198324
  Mo     -4.653354     -4.625839      3.795101
  N      -3.555081     -5.811896      4.947145
  C      -2.728345     -6.844906      4.308401
  C      -3.405816     -7.274914      3.014258
  H      -2.628115     -7.720204      4.971730
  H      -1.702851     -6.479635      4.109583
  H      -4.303717     -7.858938      3.256900
  H      -2.741520     -7.901144      2.393538
  H      -7.122549     -6.412832      1.443305
  H      -6.347211     -7.486171      2.616900
  H      -5.088989     -5.441960      0.713180
  H      -4.826335     -7.205533      0.735748
  H      -2.112155     -3.384484      1.135666
  H      -3.717316     -3.771405      0.505422
  H      -1.841144     -5.490579      2.212517
  H      -2.506082     -5.901554      0.608984
  C      -3.511054     -1.999305      2.790129
  C      -2.250468     -1.446029      3.093557
  C      -2.100954     -0.083913      3.342391
  C      -3.220294      0.733700      3.268025
  F      -3.073837      2.055754      3.533921
  C      -4.488287      0.231770      2.944568
  C      -5.681809      1.083740      2.829473
  O      -6.809040      0.671374      2.582656
  C      -5.587205      2.616204      2.904043
  O      -5.379390      3.298927      1.930977
  C      -5.910905      3.183608      4.307901
  O      -5.946233      2.497742      5.286329
  Cl     -6.154686      4.940398      4.319288
  C      -4.613668     -1.149285      2.712325
  C      -7.693037     -5.355327      3.786544
  C      -8.751433     -6.235572      3.454624
  C     -10.019243     -6.109428      4.028968
  C     -10.268651     -5.105047      4.948240
  F     -11.497754     -5.004413      5.496029
  C      -9.240933     -4.226478      5.334225
  C      -9.422778     -3.133193      6.300363
  O     -10.477163     -2.620042      6.653029
  C      -8.221154     -2.617185      7.117940
  O      -7.820889     -3.230880      8.081523
  C      -7.742730     -1.160243      6.875329
  O      -7.164518     -0.486762      7.667766
  Cl     -8.151216     -0.586373      5.218310
  C      -7.978186     -4.374073      4.751642
  C      -3.326417     -5.572191      6.320052
  C      -2.044602     -5.314084      6.844356
  C      -1.877536     -4.947241      8.180429
  C      -2.999605     -4.834086      8.989015
  F      -2.845593     -4.444790     10.281371
  C      -4.282319     -5.136618      8.519746
  C      -5.499177     -5.049826      9.352885
  O      -6.491216     -5.735701      9.166229
  C      -5.606332     -4.000998     10.487354
  O      -5.885432     -4.303510     11.620204
  C      -5.395623     -2.523244     10.049143
  O      -4.703266     -2.192302      9.132827
  Cl     -6.243969     -1.372400     11.101049
  C      -4.423123     -5.529785      7.184128
  H      -1.382228     -2.103927      3.164799
  H      -1.135497      0.347425      3.607107
  H      -5.600126     -1.550949      2.475876
  H      -8.602591     -7.046312      2.744376
  H     -10.819343     -6.800884      3.762789
  H      -7.203867     -3.673344      5.048179
  H      -1.172251     -5.360677      6.190595
  H      -0.892629     -4.726553      8.592379
  H      -5.421658     -5.754800      6.807831
  N      -5.089177     -3.401934      5.037839
  N      -5.422301     -2.592599      5.909465
  H      -4.707638     -1.892536      6.166681
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059455996431
  N      -3.659459     -3.391657      2.589124
  C      -3.039336     -3.927152      1.369209
  C      -2.720856     -5.400321      1.571957
  N      -3.845392     -6.068883      2.272335
  C      -4.996227     -6.321486      1.374927
  C      -6.285476     -6.476804      2.166521
  N      -6.417878     -5.436058      3.195023
  Mo     -4.654660     -4.617268      3.793257
  N      -3.559504     -5.798717      4.954995
  C      -2.728522     -6.831064      4.319748
  C      -3.403845     -7.268777      3.027422
  H      -2.625377     -7.703323      4.986571
  H      -1.704690     -6.462355      4.119229
  H      -4.302044     -7.851627      3.271851
  H      -2.738391     -7.898731      2.411636
  H      -7.117076     -6.415987      1.443109
  H      -6.344357     -7.483342      2.623693
  H      -5.081879     -5.448819      0.712689
  H      -4.819088     -7.211772      0.745257
  H      -2.106479     -3.387875      1.133695
  H      -3.711061     -3.776762      0.502980
  H      -1.837381     -5.489847      2.218901
  H      -2.500119     -5.907249      0.616268
  C      -3.510004     -1.995731      2.777030
  C      -2.249694     -1.437297      3.073225
  C      -2.102422     -0.073007      3.310533
  C      -3.223628      0.741869      3.231462
  F      -3.079478      2.066631      3.484123
  C      -4.491152      0.234729      2.914970
  C      -5.686788      1.082349      2.795216
  O      -6.814695      0.664342      2.559457
  C      -5.601545      2.615082      2.864376
  O      -5.403328      3.296758      1.888592
  C      -5.929802      3.183040      4.266901
  O      -5.951050      2.499649      5.247554
  Cl     -6.196022      4.936278      4.273254
  C      -4.614270     -1.148724      2.694930
  C      -7.695124     -5.346114      3.776353
  C      -8.752122     -6.228257      3.445816
  C     -10.021958     -6.098102      4.014797
  C     -10.274686     -5.088425      4.927194
  F     -11.505981     -4.984252      5.469431
  C      -9.248440     -4.207683      5.312042
  C      -9.431662     -3.110630      6.272851
  O     -10.486036     -2.596124      6.624423
  C      -8.229804     -2.582368      7.081337
  O      -7.818424     -3.197779      8.039512
  C      -7.764267     -1.122039      6.838810
  O      -7.181801     -0.448464      7.628378
  Cl     -8.193203     -0.547120      5.189995
  C      -7.984066     -4.358346      4.733555
  C      -3.332519     -5.559662      6.328080
  C      -2.049171     -5.317210      6.856151
  C      -1.880148     -4.963786      8.195533
  C      -3.000777     -4.854296      9.005753
  F      -2.842734     -4.484773     10.303765
  C      -4.285819     -5.142014      8.533499
  C      -5.497396     -5.077545      9.377317
  O      -6.493962     -5.751754      9.175155
  C      -5.576083     -4.087261     10.566409
  O      -5.834132     -4.447660     11.687261
  C      -5.354149     -2.591126     10.205982
  O      -4.714748     -2.221444      9.266132
  Cl     -6.109678     -1.488386     11.373495
  C      -4.430406     -5.513818      7.191651
  H      -1.380434     -2.093470      3.147955
  H      -1.137184      0.362478      3.569194
  H      -5.600513     -1.553739      2.463320
  H      -8.600667     -7.043701      2.741501
  H     -10.821671     -6.790613      3.750116
  H      -7.209876     -3.656822      5.028877
  H      -1.175546     -5.367094      6.204459
  H      -0.893371     -4.756107      8.609767
  H      -5.429948     -5.731136      6.813479
  N      -5.093331     -3.384693      5.026495
  N      -5.427355     -2.560497      5.883301
  H      -4.711328     -1.859534      6.133992
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca E -8051.059549033075
  N      -3.658187     -3.391719      2.590321
  C      -3.040842     -3.925130      1.368068
  C      -2.722859     -5.398998      1.566890
  N      -3.846575     -6.068552      2.267950
  C      -4.999724     -6.318253      1.372541
  C      -6.287569     -6.474191      2.166530
  N      -6.416906     -5.435729      3.197824
  Mo     -4.651604     -4.619894      3.793607
  N      -3.555271     -5.804399      4.949519
  C      -2.726562     -6.836786      4.311980
  C      -3.404074     -7.270525      3.019391
  H      -2.624442     -7.710669      4.976834
  H      -1.702218     -6.469288      4.111556
  H      -4.302050     -7.853762      3.263738
  H      -2.739815     -7.898935      2.400761
  H      -7.120664     -6.411023      1.445028
  H      -6.346333     -7.481660      2.621647
  H      -5.085980     -5.444007      0.712487
  H      -4.824839     -7.207338      0.740543
  H      -2.108050     -3.385949      1.131903
  H      -3.714090     -3.772373      0.503528
  H      -1.838230     -5.490480      2.211970
  H      -2.504158     -5.903858      0.609643
  C      -3.506799     -1.996349      2.781274
  C      -2.246252     -1.440610      3.081446
  C      -2.097154     -0.077004      3.321768
  C      -3.216447      0.740129      3.238385
  F      -3.070065      2.065007      3.489069
  C      -4.483239      0.236034      2.914203
  C      -5.673835      1.088517      2.780372
  O      -6.803323      0.675067      2.544113
  C      -5.585382      2.620085      2.870405
  O      -5.376009      3.313014      1.905027
  C      -5.939066      3.172344      4.273022
  O      -5.975750      2.478361      5.245732
  Cl     -6.205140      4.925526      4.294553
  C      -4.609104     -1.147284      2.695498
  C      -7.692297     -5.346732      3.783565
  C      -8.751178     -6.226112      3.452099
  C     -10.019594     -6.096564      4.024135
  C     -10.268310     -5.091525      4.942713
  F     -11.497132     -4.990253      5.490710
  C      -9.238985     -4.215930      5.331432
  C      -9.415897     -3.131131      6.307154
  O     -10.467286     -2.610866      6.658713
  C      -8.209682     -2.611581      7.115442
  O      -7.794715     -3.234380      8.066549
  C      -7.745423     -1.149551      6.884276
  O      -7.155453     -0.483345      7.674615
  Cl     -8.192696     -0.559009      5.246329
  C      -7.977020     -4.363880      4.746999
  C      -3.330284     -5.566821      6.323136
  C      -2.048992     -5.319447      6.853481
  C      -1.884700     -4.961607      8.192271
  C      -3.008172     -4.847833      8.998278
  F      -2.855412     -4.469665     10.294136
  C      -4.291512     -5.137851      8.522854
  C      -5.507904     -5.061623      9.358949
  O      -6.505689     -5.733833      9.155710
  C      -5.599297     -4.045026     10.524436
  O      -5.864091     -4.381984     11.651151
  C      -5.393190     -2.554854     10.132522
  O      -4.729002     -2.196714      9.205346
  Cl     -6.204150     -1.438058     11.247972
  C      -4.430616     -5.519716      7.183465
  H      -1.378482     -2.098527      3.158010
  H      -1.131941      0.356440      3.583819
  H      -5.595047     -1.549946      2.458631
  H      -8.602730     -7.038064      2.743088
  H     -10.820908     -6.786593      3.757864
  H      -7.202040     -3.663623      5.043003
  H      -1.173652     -5.368834      6.203968
  H      -0.899564     -4.750431      8.608693
  H      -5.428753     -5.738325      6.802422
  N      -5.086490     -3.392202      5.033066
  N      -5.416245     -2.581879      5.904516
  H      -4.700349     -1.882719      6.160509
