76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8048.700287373418
  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      -5.220505     -1.690703      5.938461
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.079398114306
  N      -3.594316     -3.546625      2.183399
  C      -2.662060     -4.033317      1.190032
  C      -2.224814     -5.412210      1.681830
  N      -3.310836     -5.963410      2.520497
  C      -4.439356     -6.411552      1.653274
  C      -5.736992     -6.461528      2.466671
  N      -5.720503     -5.281561      3.302711
  Mo     -4.117514     -4.346646      3.851491
  N      -3.339271     -5.662869      5.000449
  C      -2.292693     -6.595412      4.630240
  C      -2.791062     -7.126801      3.287435
  H      -2.197568     -7.405810      5.359381
  H      -1.320338     -6.091847      4.532635
  H      -3.607389     -7.831238      3.471791
  H      -2.002616     -7.636678      2.726775
  H      -6.597684     -6.465985      1.788867
  H      -5.794151     -7.361600      3.097911
  H      -4.567816     -5.702626      0.829637
  H      -4.206106     -7.392370      1.228079
  H      -1.790883     -3.378134      1.081875
  H      -3.159594     -4.076082      0.210710
  H      -1.327497     -5.322010      2.302495
  H      -2.012261     -6.081252      0.841331
  C      -4.036365     -2.234357      2.123956
  C      -3.177883     -1.134131      1.921794
  C      -3.655018      0.157564      2.020353
  C      -4.972339      0.377935      2.394878
  F      -5.399403      1.638788      2.560602
  C      -5.861210     -0.683347      2.566372
  C      -7.229088     -0.534269      3.107800
  O      -8.101307     -1.359120      2.948652
  C      -7.426957      0.673433      4.023220
  O      -8.352465      1.444062      3.905048
  C      -6.356160      0.807512      5.061631
  O      -5.375168      0.078363      5.175488
  Cl     -6.525828      2.245440      6.005875
  C      -5.398697     -1.979419      2.333785
  C      -6.847706     -4.794045      3.924961
  C      -8.148641     -5.312113      3.985446
  C      -9.099889     -4.656485      4.754671
  C      -8.789315     -3.514327      5.480768
  F      -9.730153     -2.958453      6.262607
  C      -7.503877     -2.957468      5.451596
  C      -7.081051     -1.716963      6.160754
  O      -7.768883     -0.687362      6.180957
  C      -5.694650     -1.727483      6.700971
  O      -4.825182     -2.660250      6.429443
  C      -5.259850     -0.565063      7.527020
  O      -5.914467      0.261277      8.080877
  Cl     -3.514595     -0.557231      7.693502
  C      -6.584605     -3.616827      4.637016
  C      -3.705183     -5.515563      6.329462
  C      -2.750529     -5.339777      7.351260
  C      -3.148360     -5.104817      8.651995
  C      -4.500180     -5.029885      8.954271
  F      -4.871445     -4.758556     10.216010
  C      -5.474231     -5.259250      7.980320
  C      -6.920825     -5.176141      8.237305
  O      -7.763830     -5.416373      7.400747
  C      -7.343506     -4.628981      9.606350
  O      -7.775211     -5.262393     10.525704
  C      -7.208484     -3.100974      9.589498
  O      -6.341859     -2.511328      8.999883
  Cl     -8.486214     -2.297392     10.417914
  C      -5.058391     -5.534347      6.672470
  H      -2.134902     -1.287355      1.683066
  H      -3.009815      1.006622      1.852188
  H      -6.141980     -2.770290      2.278436
  H      -8.423674     -6.211888      3.456679
  H     -10.107472     -5.038080      4.819875
  H      -5.568588     -3.168180      4.517352
  H      -1.695007     -5.385616      7.122114
  H      -2.425579     -4.955970      9.439951
  H      -5.827050     -5.808935      5.958212
  N      -4.772566     -2.762008      5.112102
  N      -5.216408     -1.688907      5.946692
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.349368170137
  N      -3.593906     -3.544662      2.178285
  C      -2.660802     -4.030427      1.184544
  C      -2.222858     -5.408767      1.673184
  N      -3.308455     -5.963559      2.511843
  C      -4.438458     -6.411508      1.643953
  C      -5.735843     -6.465620      2.458829
  N      -5.724043     -5.287419      3.299064
  Mo     -4.117058     -4.350420      3.849084
  N      -3.335719     -5.670752      4.999885
  C      -2.288083     -6.600712      4.622703
  C      -2.786529     -7.128928      3.277707
  H      -2.190881     -7.413447      5.350097
  H      -1.315738     -6.095873      4.524383
  H      -3.602126     -7.835074      3.460986
  H      -1.997350     -7.636511      2.714108
  H      -6.597505     -6.470077      1.780871
  H      -5.790049     -7.368756      3.087350
  H      -4.568008     -5.700335      0.822081
  H      -4.203848     -7.391866      1.215768
  H      -1.789314     -3.374076      1.077218
  H      -3.158537     -4.072497      0.204510
  H      -1.325250     -5.319192      2.294304
  H      -2.009679     -6.076767      0.830819
  C      -4.035130     -2.231965      2.117126
  C      -3.174059     -1.132489      1.915743
  C      -3.647087      0.161983      2.009322
  C      -4.965112      0.384929      2.376318
  F      -5.390699      1.648798      2.535970
  C      -5.857362     -0.674769      2.546694
  C      -7.226646     -0.516768      3.080229
  O      -8.107368     -1.336869      2.922429
  C      -7.412976      0.698634      3.985805
  O      -8.331870      1.479675      3.858971
  C      -6.339189      0.828826      5.023848
  O      -5.362121      0.089564      5.151498
  Cl     -6.495964      2.281028      5.954439
  C      -5.397373     -1.972412      2.321339
  C      -6.855142     -4.802558      3.925805
  C      -8.156067     -5.323173      3.987009
  C      -9.110622     -4.670458      4.760960
  C      -8.805556     -3.529484      5.493677
  F      -9.752250     -2.981345      6.277054
  C      -7.521622     -2.966760      5.470774
  C      -7.109634     -1.716724      6.193236
  O      -7.796956     -0.689423      6.206348
  C      -5.721999     -1.720189      6.764593
  O      -4.808217     -2.691287      6.476137
  C      -5.258507     -0.541427      7.569850
  O      -5.916722      0.286569      8.114507
  Cl     -3.508139     -0.541268      7.731046
  C      -6.598002     -3.628151      4.642623
  C      -3.702328     -5.524086      6.330296
  C      -2.744485     -5.345549      7.350330
  C      -3.137872     -5.108176      8.653545
  C      -4.488975     -5.033550      8.960282
  F      -4.853923     -4.759470     10.225099
  C      -5.468147     -5.266093      7.990298
  C      -6.916152     -5.183792      8.254210
  O      -7.763045     -5.432097      7.420013
  C      -7.348586     -4.632674      9.621825
  O      -7.778803     -5.274424     10.540989
  C      -7.235718     -3.099096      9.614751
  O      -6.376596     -2.486026      9.033171
  Cl     -8.532215     -2.322066     10.447338
  C      -5.055996     -5.544348      6.678706
  H      -2.129486     -1.289366      1.680089
  H      -2.998052      1.010133      1.841297
  H      -6.142278     -2.762096      2.265059
  H      -8.430978     -6.223348      3.454793
  H     -10.118505     -5.056021      4.824291
  H      -5.572343     -3.176780      4.520251
  H      -1.688395     -5.390070      7.117045
  H      -2.411305     -4.956702      9.439666
  H      -5.826738     -5.820212      5.966445
  N      -4.761714     -2.772012      5.119256
  N      -5.210293     -1.685601      5.955442
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.545323011595
  N      -3.593329     -3.541184      2.171286
  C      -2.658621     -4.027017      1.178224
  C      -2.220359     -5.404664      1.664500
  N      -3.305988     -5.963101      2.502855
  C      -4.437312     -6.411119      1.633796
  C      -5.735015     -6.469445      2.449200
  N      -5.729462     -5.292999      3.293596
  Mo     -4.117533     -4.353229      3.845826
  N      -3.333220     -5.678069      5.000514
  C      -2.284313     -6.605004      4.615967
  C      -2.782107     -7.130229      3.268576
  H      -2.185096     -7.420118      5.341699
  H      -1.311881     -6.098815      4.517089
  H      -3.597004     -7.838172      3.450516
  H      -1.991851     -7.635460      2.702236
  H      -6.597201     -6.474221      1.770330
  H      -5.786324     -7.375855      3.074841
  H      -4.567323     -5.697685      0.813570
  H      -4.200872     -7.391141      1.202865
  H      -1.786534     -3.369653      1.072008
  H      -3.155891     -4.068875      0.197043
  H      -1.322835     -5.315581      2.286720
  H      -2.005995     -6.072070      0.820627
  C      -4.033535     -2.227989      2.107318
  C      -3.169390     -1.129699      1.906653
  C      -3.637627      0.168020      1.994368
  C      -4.956433      0.393644      2.353218
  F      -5.380299      1.660940      2.506370
  C      -5.852473     -0.664339      2.522667
  C      -7.222930     -0.497527      3.048853
  O      -8.112212     -1.312335      2.892442
  C      -7.397568      0.724564      3.946274
  O      -8.309651      1.515391      3.811980
  C      -6.320053      0.850514      4.984460
  O      -5.347925      0.102459      5.125246
  Cl     -6.464306      2.315856      5.903677
  C      -5.395576     -1.963768      2.305110
  C      -6.865488     -4.810891      3.924354
  C      -8.166325     -5.334597      3.985598
  C      -9.124033     -4.684646      4.764174
  C      -8.823502     -3.545173      5.503569
  F      -9.775953     -3.004677      6.288965
  C      -7.540649     -2.977718      5.486440
  C      -7.138000     -1.719509      6.222897
  O      -7.824066     -0.695663      6.229123
  C      -5.746972     -1.714865      6.825247
  O      -4.789288     -2.723297      6.522494
  C      -5.255232     -0.521384      7.611460
  O      -5.918134      0.307788      8.147353
  Cl     -3.499642     -0.527968      7.768321
  C      -6.615436     -3.639791      4.645818
  C      -3.700859     -5.532069      6.332505
  C      -2.739521     -5.349988      7.350660
  C      -3.127115     -5.110058      8.656678
  C      -4.477159     -5.036506      8.968739
  F      -4.835183     -4.759592     10.236971
  C      -5.461896     -5.272805      8.003804
  C      -6.910472     -5.191724      8.277758
  O      -7.762931     -5.448413      7.448057
  C      -7.352490     -4.638381      9.644940
  O      -7.779307     -5.291711     10.561716
  C      -7.265768     -3.099242      9.654612
  O      -6.416793     -2.458213      9.085112
  Cl     -8.582386     -2.356541     10.496497
  C      -5.054663     -5.554301      6.687766
  H      -2.123034     -1.290968      1.674776
  H      -2.984264      1.015068      1.826511
  H      -6.142115     -2.752422      2.248496
  H      -8.441241     -6.235387      3.449822
  H     -10.132478     -5.073936      4.825784
  H      -5.578409     -3.185446      4.520860
  H      -1.682889     -5.392756      7.112372
  H      -2.396039     -4.955401      9.440379
  H      -5.828025     -5.831749      5.978097
  N      -4.749016     -2.781482      5.125471
  N      -5.202538     -1.683897      5.962699
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.686713348889
  N      -3.590891     -3.535674      2.163697
  C      -2.652540     -4.022483      1.173527
  C      -2.215324     -5.399816      1.658181
  N      -3.302759     -5.961838      2.494076
  C      -4.434183     -6.409031      1.622045
  C      -5.733652     -6.471104      2.435898
  N      -5.736609     -5.296909      3.284676
  Mo     -4.119507     -4.355190      3.841870
  N      -3.333929     -5.685419      5.002897
  C      -2.283349     -6.609063      4.611288
  C      -2.778357     -7.130872      3.260672
  H      -2.183169     -7.426908      5.335138
  H      -1.310543     -6.101708      4.513364
  H      -3.592965     -7.840538      3.439754
  H      -1.986191     -7.633671      2.692556
  H      -6.595124     -6.475696      1.754512
  H      -5.783267     -7.381135      3.058043
  H      -4.562803     -5.692915      0.803536
  H      -4.195609     -7.388725      1.188428
  H      -1.779350     -3.364442      1.070092
  H      -3.147328     -4.064161      0.190123
  H      -1.319083     -5.311758      2.283406
  H      -1.998274     -6.066686      0.813189
  C      -4.029723     -2.221590      2.095384
  C      -3.161874     -1.124850      1.896760
  C      -3.625351      0.176363      1.977310
  C      -4.945642      0.404480      2.325483
  F      -5.367835      1.675606      2.470830
  C      -5.845869     -0.651980      2.492890
  C      -7.218378     -0.477363      3.010193
  O      -8.116093     -1.286215      2.853425
  C      -7.383615      0.749954      3.901389
  O      -8.288175      1.549473      3.759465
  C      -6.304876      0.871433      4.942960
  O      -5.339619      0.115527      5.097432
  Cl     -6.439786      2.349455      5.852223
  C      -5.391486     -1.952991      2.284116
  C      -6.879165     -4.817828      3.917324
  C      -8.179838     -5.344484      3.976181
  C      -9.142387     -4.698272      4.757524
  C      -8.847760     -3.560999      5.504005
  F      -9.807087     -3.028976      6.290209
  C      -7.565897     -2.989270      5.494444
  C      -7.174904     -1.726759      6.245346
  O      -7.861792     -0.709485      6.245268
  C      -5.780018     -1.714093      6.879400
  O      -4.776714     -2.759560      6.566250
  C      -5.263514     -0.508591      7.649103
  O      -5.933264      0.320958      8.176860
  Cl     -3.503464     -0.520111      7.807227
  C      -6.639059     -3.650218      4.644370
  C      -3.703237     -5.541825      6.336829
  C      -2.738739     -5.357857      7.354154
  C      -3.117594     -5.117332      8.663495
  C      -4.465271     -5.044027      8.981309
  F      -4.815989     -4.764775     10.253124
  C      -5.455582     -5.280570      8.021666
  C      -6.901517     -5.193936      8.310848
  O      -7.764664     -5.449987      7.488190
  C      -7.344228     -4.640827      9.681384
  O      -7.771572     -5.307553     10.591267
  C      -7.267239     -3.097908      9.721032
  O      -6.419303     -2.435326      9.172001
  Cl     -8.594437     -2.382309     10.580919
  C      -5.056332     -5.564988      6.699738
  H      -2.113305     -1.290910      1.670805
  H      -2.967309      1.022252      1.810677
  H      -6.139346     -2.741022      2.226651
  H      -8.453511     -6.245578      3.435833
  H     -10.151372     -5.091715      4.815468
  H      -5.589414     -3.194389      4.517667
  H      -1.681749     -5.399544      7.110018
  H      -2.380926     -4.961388      9.444140
  H      -5.833739     -5.841424      5.993038
  N      -4.739684     -2.793004      5.128017
  N      -5.201309     -1.686215      5.966807
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.789272741059
  N      -3.589325     -3.528772      2.154775
  C      -2.647862     -4.018113      1.167740
  C      -2.211903     -5.394854      1.651494
  N      -3.300591     -5.959951      2.485966
  C      -4.433182     -6.406609      1.612157
  C      -5.733836     -6.471850      2.424992
  N      -5.745597     -5.299568      3.277719
  Mo     -4.121547     -4.355763      3.838204
  N      -3.334110     -5.691037      5.007031
  C      -2.282213     -6.611019      4.607175
  C      -2.775244     -7.130044      3.254109
  H      -2.180422     -7.431467      5.329219
  H      -1.309068     -6.102622      4.509315
  H      -3.589551     -7.841228      3.431203
  H      -1.981676     -7.630705      2.683835
  H      -6.594856     -6.476721      1.741333
  H      -5.781264     -7.385498      3.043716
  H      -4.560528     -5.687993      0.795242
  H      -4.192881     -7.386200      1.176151
  H      -1.773319     -3.359876      1.066079
  H      -3.140554     -4.060360      0.182313
  H      -1.316708     -5.307717      2.279330
  H      -1.992687     -6.062019      0.805885
  C      -4.026183     -2.213632      2.080395
  C      -3.154357     -1.119362      1.881985
  C      -3.612235      0.185604      1.954204
  C      -4.933777      0.416823      2.292736
  F      -5.353479      1.692015      2.429633
  C      -5.838456     -0.637359      2.460279
  C      -7.212099     -0.455106      2.971621
  O      -8.117464     -1.257910      2.815689
  C      -7.368010      0.776014      3.859343
  O      -8.266158      1.583134      3.713098
  C      -6.285692      0.892951      4.902924
  O      -5.327471      0.131182      5.068327
  Cl     -6.411368      2.381602      5.806371
  C      -5.387450     -1.940466      2.260931
  C      -6.895190     -4.824026      3.912492
  C      -8.195539     -5.354467      3.969982
  C      -9.161109     -4.711709      4.754967
  C      -8.869717     -3.576707      5.507890
  F      -9.834063     -3.052699      6.296771
  C      -7.588309     -3.002163      5.503135
  C      -7.205852     -1.737090      6.268683
  O      -7.892698     -0.726101      6.263473
  C      -5.804715     -1.715960      6.931064
  O      -4.757014     -2.796190      6.609629
  C      -5.264506     -0.498977      7.685692
  O      -5.940690      0.330524      8.207106
  Cl     -3.500007     -0.513396      7.843799
  C      -6.665153     -3.660205      4.644420
  C      -3.703976     -5.549756      6.343239
  C      -2.735497     -5.362406      7.358309
  C      -3.105311     -5.120374      8.670855
  C      -4.451507     -5.048787      8.994941
  F      -4.794823     -4.767305     10.270268
  C      -5.447346     -5.288111      8.041315
  C      -6.891197     -5.200501      8.343617
  O      -7.762673     -5.461756      7.528826
  C      -7.342022     -4.647748      9.714642
  O      -7.766842     -5.328614     10.616828
  C      -7.288857     -3.101109      9.780512
  O      -6.449016     -2.412989      9.251916
  Cl     -8.635090     -2.423146     10.653325
  C      -5.055597     -5.575111      6.714987
  H      -2.103886     -1.291138      1.661576
  H      -2.949257      1.029762      1.787516
  H      -6.136649     -2.728136      2.205108
  H      -8.468826     -6.256051      3.425752
  H     -10.170665     -5.108787      4.811129
  H      -5.601560     -3.202957      4.514802
  H      -1.678369     -5.402009      7.107294
  H      -2.362915     -4.961639      9.447848
  H      -5.836744     -5.851826      6.011462
  N      -4.725185     -2.803463      5.131104
  N      -5.193858     -1.690662      5.970618
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.863891297802
  N      -3.587263     -3.519860      2.145400
  C      -2.642116     -4.013274      1.162826
  C      -2.208393     -5.389485      1.646597
  N      -3.298861     -5.957034      2.479055
  C      -4.432633     -6.402801      1.603408
  C      -5.734877     -6.470405      2.414240
  N      -5.756441     -5.300023      3.270521
  Mo     -4.124275     -4.354642      3.834640
  N      -3.335985     -5.694818      5.013372
  C      -2.282957     -6.610880      4.605055
  C      -2.773337     -7.127485      3.249766
  H      -2.179838     -7.433965      5.325195
  H      -1.309318     -6.101762      4.507656
  H      -3.587682     -7.839800      3.424603
  H      -1.978356     -7.626388      2.677902
  H      -6.594784     -6.475651      1.727579
  H      -5.780714     -7.387687      3.029321
  H      -4.557602     -5.681619      0.788024
  H      -4.190849     -7.382387      1.165382
  H      -1.765820     -3.355499      1.063106
  H      -3.131835     -4.056571      0.175014
  H      -1.314795     -5.303537      2.277772
  H      -1.986598     -6.057548      0.801076
  C      -4.021391     -2.203483      2.062774
  C      -3.145454     -1.112309      1.863657
  C      -3.598043      0.196296      1.926141
  C      -4.921221      0.430455      2.254868
  F      -5.339044      1.709444      2.382660
  C      -5.830024     -0.621119      2.423789
  C      -7.204340     -0.432704      2.931072
  O      -8.115969     -1.229791      2.776457
  C      -7.352869      0.800373      3.818542
  O      -8.245693      1.612975      3.671293
  C      -6.265806      0.913313      4.863982
  O      -5.314737      0.148170      5.037397
  Cl     -6.384868      2.410031      5.766007
  C      -5.382202     -1.926375      2.234774
  C      -6.914185     -4.828687      3.905991
  C      -8.213978     -5.363567      3.961323
  C      -9.181972     -4.724164      4.749558
  C      -8.892468     -3.591707      5.508654
  F      -9.861017     -3.075461      6.300926
  C      -7.610837     -3.015859      5.507551
  C      -7.235122     -1.751598      6.288062
  O      -7.922028     -0.746221      6.278875
  C      -5.826760     -1.722411      6.976408
  O      -4.735536     -2.834461      6.649550
  C      -5.265632     -0.495405      7.718364
  O      -5.948462      0.333207      8.234855
  Cl     -3.497331     -0.510641      7.877674
  C      -6.694768     -3.668752      4.642655
  C      -3.705875     -5.556835      6.352031
  C      -2.733177     -5.365979      7.364337
  C      -3.093314     -5.122815      8.680011
  C      -4.438240     -5.053607      9.010416
  F      -4.775052     -4.770206     10.288859
  C      -5.439164     -5.295730      8.063091
  C      -6.879695     -5.207131      8.379376
  O      -7.760972     -5.472933      7.575020
  C      -7.336791     -4.656423      9.751513
  O      -7.757388     -5.352206     10.644568
  C      -7.307844     -3.107014      9.846031
  O      -6.477246     -2.394782      9.339596
  Cl     -8.671349     -2.469314     10.734935
  C      -5.055371     -5.584650      6.733134
  H      -2.093231     -1.290057      1.649520
  H      -2.930411      1.038505      1.758937
  H      -6.132191     -2.714347      2.182575
  H      -8.486924     -6.265485      3.413465
  H     -10.192006     -5.124424      4.804377
  H      -5.617147     -3.211267      4.510234
  H      -1.676267     -5.403072      7.105826
  H      -2.345218     -4.961157      9.452928
  H      -5.840317     -5.861075      6.032656
  N      -4.708466     -2.813928      5.132647
  N      -5.184615     -1.698783      5.971963
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.918560006853
  N      -3.585020     -3.508914      2.136298
  C      -2.636136     -4.008203      1.159186
  C      -2.205536     -5.384043      1.643886
  N      -3.297951     -5.953169      2.474161
  C      -4.433310     -6.397607      1.597371
  C      -5.737137     -6.466311      2.405842
  N      -5.768703     -5.297629      3.264907
  Mo     -4.127154     -4.351556      3.831857
  N      -3.338915     -5.696102      5.022325
  C      -2.285198     -6.608209      4.605271
  C      -2.772865     -7.123042      3.248394
  H      -2.180837     -7.433905      5.323368
  H      -1.310914     -6.098843      4.508467
  H      -3.587646     -7.835894      3.421132
  H      -1.976791     -7.620892      2.675462
  H      -6.595504     -6.472096      1.715867
  H      -5.781975     -7.387013      3.017285
  H      -4.555072     -5.673929      0.783405
  H      -4.190768     -7.377342      1.157759
  H      -1.757709     -3.351720      1.061065
  H      -3.122370     -4.053124      0.168889
  H      -1.313856     -5.299555      2.278725
  H      -1.981118     -6.053675      0.799215
  C      -4.015609     -2.191156      2.042979
  C      -3.135865     -1.103495      1.841329
  C      -3.584233      0.208368      1.892641
  C      -4.909312      0.445061      2.212159
  F      -5.326654      1.727221      2.330400
  C      -5.821389     -0.603653      2.384572
  C      -7.195505     -0.410620      2.890728
  O      -8.112154     -1.202564      2.739026
  C      -7.338421      0.822945      3.780983
  O      -8.227303      1.638513      3.636843
  C      -6.244553      0.933119      4.827374
  O      -5.300394      0.166898      5.004767
  Cl     -6.359923      2.435156      5.732204
  C      -5.376117     -1.911066      2.206938
  C      -6.935190     -4.831185      3.899736
  C      -8.234025     -5.370990      3.952766
  C      -9.203673     -4.734637      4.744241
  C      -8.914829     -3.604833      5.508945
  F      -9.886276     -3.095998      6.305442
  C      -7.632211     -3.028906      5.509691
  C      -7.260822     -1.769325      6.304589
  O      -7.947794     -0.768121      6.293096
  C      -5.844313     -1.733069      7.014892
  O      -4.711219     -2.873515      6.684995
  C      -5.265058     -0.497680      7.746329
  O      -5.953824      0.329557      8.259760
  Cl     -3.493902     -0.511910      7.906916
  C      -6.726091     -3.674736      4.640704
  C      -3.707476     -5.562781      6.363601
  C      -2.730422     -5.368632      7.372508
  C      -3.081144     -5.125022      8.691143
  C      -4.425247     -5.059087      9.027514
  F      -4.756641     -4.774672     10.308610
  C      -5.430621     -5.304155      8.086095
  C      -6.867442     -5.215928      8.414430
  O      -7.758121     -5.487188      7.621185
  C      -7.331170     -4.668421      9.786849
  O      -7.746234     -5.378438     10.671010
  C      -7.328250     -3.117387      9.906606
  O      -6.508089     -2.383718      9.420470
  Cl     -8.708189     -2.520142     10.811035
  C      -5.054157     -5.593619      6.753851
  H      -2.082200     -1.286977      1.633680
  H      -2.912773      1.048583      1.723907
  H      -6.126048     -2.700226      2.161332
  H      -8.506767     -6.273052      3.401932
  H     -10.213901     -5.137703      4.798599
  H      -5.635876     -3.219178      4.505025
  H      -1.674115     -5.402571      7.106220
  H      -2.327841     -4.960420      9.459868
  H      -5.842463     -5.869043      6.055735
  N      -4.688702     -2.824662      5.132270
  N      -5.172326     -1.710454      5.970757
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.959184414069
  N      -3.582503     -3.496051      2.128115
  C      -2.629955     -4.002988      1.157385
  C      -2.203422     -5.378716      1.643850
  N      -3.297954     -5.948490      2.471706
  C      -4.435305     -6.391027      1.594667
  C      -5.740550     -6.459253      2.400644
  N      -5.781732     -5.291909      3.261525
  Mo     -4.129899     -4.346445      3.830070
  N      -3.342857     -5.694471      5.033807
  C      -2.288928     -6.602870      4.608051
  C      -2.773989     -7.116781      3.250363
  H      -2.183419     -7.431138      5.323944
  H      -1.313843     -6.093818      4.512083
  H      -3.589693     -7.829448      3.421235
  H      -1.977196     -7.614564      2.677122
  H      -6.596986     -6.465749      1.707173
  H      -5.785217     -7.382964      3.008669
  H      -4.553102     -5.664994      0.781969
  H      -4.193038     -7.371095      1.153899
  H      -1.749016     -3.348706      1.060464
  H      -3.112203     -4.050018      0.164562
  H      -1.313970     -5.295983      2.282629
  H      -1.976334     -6.050476      0.800758
  C      -4.008722     -2.176706      2.021349
  C      -3.125725     -1.092841      1.815040
  C      -3.571245      0.221703      1.853383
  C      -4.898328      0.460871      2.164169
  F      -5.316273      1.745582      2.271896
  C      -5.812861     -0.584637      2.342554
  C      -7.186014     -0.387918      2.850472
  O      -8.106701     -1.175526      2.703028
  C      -7.325127      0.844991      3.745901
  O      -8.211978      1.661511      3.608450
  C      -6.222938      0.953284      4.792286
  O      -5.285013      0.187114      4.970062
  Cl     -6.337549      2.457994      5.703783
  C      -5.369247     -1.894387      2.177784
  C      -6.957122     -4.831149      3.894076
  C      -8.254459     -5.376253      3.944758
  C      -9.225362     -4.742819      4.739402
  C      -8.936752     -3.615694      5.509159
  F      -9.909656     -3.113998      6.310421
  C      -7.652524     -3.040317      5.510119
  C      -7.282794     -1.789509      6.318131
  O      -7.969187     -0.790559      6.306375
  C      -5.857759     -1.747687      7.045310
  O      -4.685543     -2.912563      6.714943
  C      -5.263770     -0.505898      7.768620
  O      -5.957292      0.319389      8.280837
  Cl     -3.491002     -0.517505      7.930349
  C      -6.757611     -3.677521      4.638768
  C      -3.708338     -5.567717      6.377948
  C      -2.727000     -5.371133      7.383077
  C      -3.069181     -5.128452      8.704565
  C      -4.412754     -5.066619      9.046467
  F      -4.739811     -4.782648     10.329792
  C      -5.422003     -5.314020      8.110165
  C      -6.855088     -5.227380      8.448063
  O      -7.754277     -5.504365      7.665442
  C      -7.325143     -4.685156      9.820514
  O      -7.733577     -5.408756     10.696453
  C      -7.348550     -3.133713      9.961801
  O      -6.539068     -2.381242      9.493266
  Cl     -8.742384     -2.575452     10.881942
  C      -5.051833     -5.602057      6.776620
  H      -2.070919     -1.281522      1.614123
  H      -2.896844      1.059847      1.681824
  H      -6.118245     -2.685530      2.142142
  H      -8.526774     -6.278286      3.391717
  H     -10.235323     -5.148646      4.794003
  H      -5.658180     -3.226847      4.499431
  H      -1.671642     -5.401245      7.109168
  H      -2.311403     -4.961401      9.469291
  H      -5.842934     -5.875123      6.079817
  N      -4.666706     -2.836144      5.129158
  N      -5.157718     -1.725681      5.966513
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8049.990260818769
  N      -3.579810     -3.481362      2.121776
  C      -2.623766     -3.997285      1.158050
  C      -2.202059     -5.373252      1.646810
  N      -3.298826     -5.943052      2.471926
  C      -4.438456     -6.383159      1.595528
  C      -5.744879     -6.449381      2.399112
  N      -5.794860     -5.282866      3.260829
  Mo     -4.132357     -4.339340      3.829601
  N      -3.347653     -5.689775      5.047469
  C      -2.293872     -6.594943      4.613378
  C      -2.776562     -7.108873      3.255657
  H      -2.187259     -7.425755      5.326892
  H      -1.317864     -6.086690      4.518593
  H      -3.593640     -7.820679      3.424928
  H      -1.979351     -7.607685      2.683017
  H      -6.599082     -6.456833      1.702076
  H      -5.790299     -7.375540      3.004179
  H      -4.551816     -5.654973      0.783926
  H      -4.197564     -7.363729      1.153919
  H      -1.740024     -3.345979      1.062012
  H      -3.101612     -4.046672      0.162706
  H      -1.315085     -5.292482      2.289718
  H      -1.972150     -6.047373      0.805783
  C      -4.001067     -2.160365      1.999097
  C      -3.115654     -1.080272      1.786108
  C      -3.559945      0.236164      1.809751
  C      -4.889016      0.477768      2.112129
  F      -5.308522      1.764372      2.208291
  C      -5.805047     -0.564418      2.298760
  C      -7.176473     -0.364497      2.810797
  O      -8.100524     -1.148590      2.668754
  C      -7.312874      0.867001      3.712613
  O      -8.199482      1.683030      3.584533
  C      -6.201434      0.973954      4.757826
  O      -5.268955      0.207827      4.933114
  Cl     -6.317346      2.479030      5.678730
  C      -5.361961     -1.876553      2.148511
  C      -6.979010     -4.828667      3.889375
  C      -8.274254     -5.379405      3.937687
  C      -9.246506     -4.749065      4.735435
  C      -8.958687     -3.624538      5.509864
  F      -9.931821     -3.129916      6.316137
  C      -7.672564     -3.049510      5.509748
  C      -7.301283     -1.810952      6.328808
  O      -7.985730     -0.812195      6.319118
  C      -5.867676     -1.765423      7.066873
  O      -4.660216     -2.950472      6.738867
  C      -5.262756     -0.519391      7.784425
  O      -5.959655      0.303717      8.296949
  Cl     -3.489647     -0.527130      7.946930
  C      -6.788100     -3.677084      4.636996
  C      -3.708152     -5.571996      6.394715
  C      -2.722888     -5.374558      7.396138
  C      -3.058000     -5.134965      8.720437
  C      -4.401159     -5.077866      9.067261
  F      -4.724863     -4.796281     10.352522
  C      -5.413717     -5.326154      8.134854
  C      -6.843415     -5.241708      8.479329
  O      -7.749657     -5.523582      7.705552
  C      -7.318710     -4.706526      9.851755
  O      -7.720369     -5.442048     10.720848
  C      -7.365669     -3.155773     10.009468
  O      -6.565392     -2.388566      9.554424
  Cl     -8.769171     -2.630656     10.944956
  C      -5.048496     -5.610293      6.800498
  H      -2.059895     -1.273223      1.592151
  H      -2.883533      1.072290      1.634114
  H      -6.109126     -2.670324      2.126064
  H      -8.545585     -6.281370      3.383132
  H     -10.255621     -5.158086      4.790682
  H      -5.684625     -3.234702      4.493847
  H      -1.668669     -5.400152      7.115300
  H      -2.296646     -4.966540      9.481772
  H      -5.841740     -5.878979      6.103629
  N      -4.643534     -2.848814      5.122878
  N      -5.141674     -1.744151      5.958979
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.015132323486
  N      -3.577148     -3.465160      2.117807
  C      -2.617870     -3.990785      1.161294
  C      -2.201448     -5.367357      1.652479
  N      -3.300477     -5.936981      2.474522
  C      -4.442496     -6.374302      1.599504
  C      -5.749819     -6.437324      2.401047
  N      -5.807561     -5.271035      3.262768
  Mo     -4.134520     -4.330437      3.830516
  N      -3.353043     -5.682183      5.062606
  C      -2.299593     -6.584753      4.620761
  C      -2.780269     -7.099659      3.263670
  H      -2.191813     -7.418030      5.331805
  H      -1.322616     -6.077605      4.527452
  H      -3.599021     -7.810105      3.431683
  H      -1.982819     -7.600537      2.692546
  H      -6.601651     -6.446048      1.700524
  H      -5.796799     -7.365283      3.003818
  H      -4.551366     -5.644226      0.788808
  H      -4.203972     -7.355511      1.157218
  H      -1.731153     -3.342984      1.065947
  H      -3.091079     -4.042479      0.163483
  H      -1.317097     -5.288612      2.299570
  H      -1.968483     -6.043680      0.813652
  C      -3.993143     -2.142677      1.977441
  C      -3.106110     -1.066183      1.756237
  C      -3.550482      0.251307      1.763730
  C      -4.881427      0.495430      2.057722
  F      -5.302971      1.783355      2.141204
  C      -5.798191     -0.543459      2.254257
  C      -7.167266     -0.340150      2.771712
  O      -8.094398     -1.121247      2.635733
  C      -7.301047      0.889608      3.679966
  O      -8.188573      1.704473      3.562664
  C      -6.180248      0.995080      4.722916
  O      -5.252675      0.227984      4.893957
  Cl     -6.297967      2.498758      5.654615
  C      -5.354673     -1.857873      2.120156
  C      -7.000052     -4.824265      3.885785
  C      -8.292661     -5.380922      3.931741
  C      -9.266621     -4.754111      4.732486
  C      -8.980831     -3.632001      5.511415
  F      -9.953352     -3.144554      6.322604
  C      -7.693102     -3.056357      5.509570
  C      -7.316864     -1.832265      6.337169
  O      -7.997546     -0.831672      6.331996
  C      -5.874903     -1.785075      7.079585
  O      -4.637085     -2.986067      6.757056
  C      -5.262951     -0.536943      7.793669
  O      -5.961917      0.284037      8.307620
  Cl     -3.490523     -0.539919      7.956485
  C      -6.816685     -3.673930      4.635476
  C      -3.706807     -5.575854      6.413185
  C      -2.718114     -5.379479      7.411278
  C      -3.047767     -5.145506      8.738414
  C      -4.390433     -5.093599      9.089646
  F      -4.711402     -4.816555     10.376772
  C      -5.405893     -5.340905      8.159905
  C      -6.832823     -5.258892      8.508369
  O      -7.744400     -5.544170      7.741021
  C      -7.311887     -4.732058      9.881036
  O      -7.706987     -5.477333     10.745010
  C      -7.378354     -3.182742     10.049722
  O      -6.585350     -2.404996      9.603283
  Cl     -8.786891     -2.682873     10.999730
  C      -5.044363     -5.618556      6.824648
  H      -2.049465     -1.262416      1.569484
  H      -2.872748      1.085479      1.583026
  H      -6.099341     -2.654539      2.113393
  H      -8.562281     -6.282919      3.376223
  H     -10.274324     -5.167070      4.788453
  H      -5.715503     -3.243062      4.488690
  H      -1.665070     -5.399886      7.124499
  H      -2.283647     -4.977085      9.497145
  H      -5.839176     -5.880654      6.126409
  N      -4.620597     -2.862750      5.113335
  N      -5.125358     -1.765157      5.948290
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.036074963247
  N      -3.574780     -3.447865      2.116345
  C      -2.612691     -3.983321      1.166773
  C      -2.201681     -5.360832      1.660070
  N      -3.302818     -5.930454      2.478846
  C      -4.447268     -6.364809      1.605871
  C      -5.755105     -6.423907      2.406085
  N      -5.819538     -5.257279      3.267247
  Mo     -4.136380     -4.320062      3.832780
  N      -3.358567     -5.672168      5.078435
  C      -2.305526     -6.572824      4.629374
  C      -2.784710     -7.089550      3.273422
  H      -2.196375     -7.408415      5.337958
  H      -1.327626     -6.066897      4.537604
  H      -3.605233     -7.798357      3.440670
  H      -1.987145     -7.593331      2.704533
  H      -6.604692     -6.434243      1.702414
  H      -5.804086     -7.353039      3.007297
  H      -4.552078     -5.633129      0.795909
  H      -4.211952     -7.346740      1.162902
  H      -1.722950     -3.339302      1.071981
  H      -3.081344     -4.036973      0.166648
  H      -1.319916     -5.284070      2.311183
  H      -1.965470     -6.038858      0.823221
  C      -3.985422     -2.124248      1.957314
  C      -3.097232     -1.051262      1.726985
  C      -3.542271      0.266575      1.717185
  C      -4.874928      0.513565      2.002437
  F      -5.298260      1.802429      2.071934
  C      -5.792109     -0.522024      2.209795
  C      -7.158530     -0.314541      2.732740
  O      -8.088753     -1.092806      2.602670
  C      -7.289024      0.913374      3.646753
  O      -8.177964      1.727219      3.540387
  C      -6.159670      1.016335      4.686602
  O      -5.236772      0.246706      4.852920
  Cl     -6.278215      2.517452      5.629492
  C      -5.347682     -1.838503      2.093350
  C      -7.019743     -4.818772      3.883781
  C      -8.309256     -5.381706      3.927605
  C      -9.285213     -4.759087      4.731304
  C      -9.002845     -3.639123      5.514645
  F      -9.974247     -3.159087      6.330525
  C      -7.714411     -3.061331      5.510908
  C      -7.330149     -1.852414      6.344541
  O      -8.005203     -0.848260      6.346280
  C      -5.880216     -1.805397      7.084734
  O      -4.617525     -3.018277      6.771262
  C      -5.265049     -0.556923      7.797488
  O      -5.965099      0.262075      8.313522
  Cl     -3.493938     -0.554270      7.960115
  C      -6.843040     -3.668942      4.634809
  C      -3.704165     -5.579424      6.432521
  C      -2.712618     -5.386071      7.427833
  C      -3.038424     -5.160230      8.757832
  C      -4.380500     -5.113806      9.112931
  F      -4.699228     -4.843389     10.401984
  C      -5.398481     -5.358173      8.184697
  C      -6.823440     -5.278612      8.534945
  O      -7.738573     -5.565394      7.771367
  C      -7.305090     -4.760882      9.908211
  O      -7.694120     -5.513572     10.768740
  C      -7.386840     -3.213333     10.082794
  O      -6.599281     -2.428976      9.640096
  Cl     -8.796336     -2.730378     11.045818
  C      -5.039467     -5.626908      6.848237
  H      -2.039709     -1.250088      1.547725
  H      -2.863472      1.098693      1.530757
  H      -6.089624     -2.637835      2.103754
  H      -8.576429     -6.283937      3.371554
  H     -10.290997     -5.176858      4.787976
  H      -5.750610     -3.251907      4.484776
  H      -1.660642     -5.400721      7.136276
  H      -2.272263     -4.993262      9.514850
  H      -5.835319     -5.880406      6.147525
  N      -4.599170     -2.877454      5.101220
  N      -5.109863     -1.787691      5.935343
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.054447978162
  N      -3.572622     -3.429885      2.117166
  C      -2.608278     -3.975020      1.173956
  C      -2.202690     -5.353802      1.668766
  N      -3.305738     -5.923713      2.484153
  C      -4.452646     -6.354900      1.613783
  C      -5.760575     -6.409680      2.413574
  N      -5.830711     -5.242254      3.273875
  Mo     -4.137839     -4.308502      3.836161
  N      -3.363887     -5.660313      5.094259
  C      -2.311391     -6.559824      4.638409
  C      -2.789711     -7.079020      3.283972
  H      -2.200684     -7.397499      5.344661
  H      -1.332629     -6.055207      4.548021
  H      -3.612029     -7.785980      3.451029
  H      -1.992179     -7.586407      2.717838
  H      -6.608228     -6.421871      1.707269
  H      -5.811714     -7.339440      3.013906
  H      -4.554043     -5.621867      0.804428
  H      -4.221307     -7.337598      1.170005
  H      -1.715496     -3.334967      1.079639
  H      -3.072684     -4.030033      0.171731
  H      -1.323358     -5.279033      2.323616
  H      -1.963152     -6.032844      0.833441
  C      -3.977889     -2.105557      1.939111
  C      -3.088688     -1.036128      1.699230
  C      -3.534515      0.281520      1.671282
  C      -4.868785      0.531792      1.947236
  F      -5.293310      1.821317      2.001459
  C      -5.786351     -0.500498      2.165793
  C      -7.150156     -0.288163      2.693585
  O      -8.083406     -1.063770      2.568632
  C      -7.276626      0.937754      3.612525
  O      -8.167282      1.750918      3.516622
  C      -6.140062      1.036978      4.648501
  O      -5.221603      0.263558      4.810375
  Cl     -6.258027      2.534665      5.602666
  C      -5.340811     -1.818655      2.068279
  C      -7.037958     -4.812733      3.883508
  C      -8.324030     -5.382386      3.925568
  C      -9.302085     -4.764701      4.732211
  C      -9.024297     -3.646567      5.519849
  F      -9.994346     -3.174172      6.340186
  C      -7.736423     -3.064950      5.514392
  C      -7.341714     -1.870627      6.351929
  O      -8.009393     -0.861567      6.362601
  C      -5.884355     -1.825247      7.083965
  O      -4.602636     -3.045998      6.784053
  C      -5.269788     -0.577607      7.797585
  O      -5.970472      0.239458      8.315822
  Cl     -3.500316     -0.568253      7.959871
  C      -6.867417     -3.662775      4.635403
  C      -3.700281     -5.582740      6.451944
  C      -2.706428     -5.394271      7.445053
  C      -3.029802     -5.178787      8.777903
  C      -4.371222     -5.137943      9.136308
  F      -4.688134     -4.876012     10.427410
  C      -5.391376     -5.377472      8.208597
  C      -6.815144     -5.300187      8.558961
  O      -7.732332     -5.586371      7.796754
  C      -7.298460     -4.792019      9.933304
  O      -7.681993     -5.550053     10.791745
  C      -7.391594     -3.246234     10.109755
  O      -6.607919     -2.458642      9.666561
  Cl     -8.798597     -2.772675     11.084306
  C      -5.033900     -5.635166      6.870630
  H      -2.030270     -1.237128      1.527783
  H      -2.854654      1.111403      1.478760
  H      -6.080082     -2.620125      2.096607
  H      -8.588089     -6.285086      3.369308
  H     -10.305534     -5.188070      4.789600
  H      -5.789180     -3.260587      4.482730
  H      -1.655346     -5.402810      7.149886
  H      -2.262206     -5.014687      9.534062
  H      -5.830349     -5.878359      6.166622
  N      -4.580093     -2.891716      5.087606
  N      -5.096042     -1.810489      5.921323
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.071049337782
  N      -3.570278     -3.411585      2.119836
  C      -2.604305     -3.966250      1.182327
  C      -2.204238     -5.346646      1.677972
  N      -3.309120     -5.917011      2.489797
  C      -4.458517     -6.344631      1.622423
  C      -5.766182     -6.394841      2.422655
  N      -5.841165     -5.226291      3.281982
  Mo     -4.138757     -4.295953      3.840260
  N      -3.368895     -5.647153      5.109520
  C      -2.317261     -6.546434      4.647270
  C      -2.795374     -7.068537      3.294629
  H      -2.204980     -7.385889      5.351449
  H      -1.337616     -6.043342      4.557948
  H      -3.619586     -7.773361      3.462061
  H      -1.998092     -7.580227      2.731654
  H      -6.612259     -6.408974      1.714251
  H      -5.819521     -7.324796      3.022657
  H      -4.557079     -5.610423      0.813595
  H      -4.231927     -7.328127      1.177654
  H      -1.708410     -3.330386      1.088476
  H      -3.064860     -4.021869      0.178219
  H      -1.327167     -5.274040      2.336281
  H      -1.961382     -6.025975      0.843628
  C      -3.970111     -2.086934      1.922751
  C      -3.079877     -1.021228      1.673090
  C      -3.526516      0.295827      1.626314
  C      -4.862374      0.549695      1.892417
  F      -5.287532      1.839634      1.930213
  C      -5.780356     -0.479328      2.122339
  C      -7.141821     -0.261995      2.654223
  O      -8.077809     -1.035306      2.533292
  C      -7.263816      0.961656      3.577360
  O      -8.156600      1.774216      3.491327
  C      -6.121511      1.056325      4.608620
  O      -5.207067      0.278575      4.766628
  Cl     -6.237864      2.549810      5.574197
  C      -5.333529     -1.798618      2.044818
  C      -7.054898     -4.806299      3.884643
  C      -8.337300     -5.383151      3.925319
  C      -9.317450     -4.771118      4.734916
  C      -9.045058     -3.654534      5.526726
  F     -10.013754     -3.189948      6.351341
  C      -7.759050     -3.067603      5.519877
  C      -7.352148     -1.886460      6.359752
  O      -8.010795     -0.871533      6.380862
  C      -5.888010     -1.843831      7.078880
  O      -4.593648     -3.067972      6.798367
  C      -5.277941     -0.597575      7.795942
  O      -5.979457      0.217395      8.315898
  Cl     -3.510290     -0.580151      7.958375
  C      -6.890525     -3.655784      4.637246
  C      -3.695428     -5.585739      6.470812
  C      -2.699654     -5.403774      7.462149
  C      -3.021566     -5.200433      8.797821
  C      -4.362249     -5.165186      9.159142
  F      -4.677557     -4.913331     10.452471
  C      -5.384367     -5.398237      8.231301
  C      -6.807531     -5.323114      8.580914
  O      -7.725766     -5.606829      7.818389
  C      -7.291610     -4.824833      9.956932
  O      -7.669819     -5.586599     10.814432
  C      -7.393167     -3.280619     10.132267
  O      -6.612507     -2.492350      9.684823
  Cl     -8.794686     -2.810612     11.117509
  C      -5.027855     -5.643077      6.891535
  H      -2.020548     -1.224110      1.509750
  H      -2.845554      1.123309      1.427450
  H      -6.070279     -2.601605      2.091548
  H      -8.597656     -6.286538      3.369055
  H     -10.318241     -5.200678      4.793069
  H      -5.829922     -3.267909      4.482705
  H      -1.649303     -5.406045      7.164334
  H      -2.252929     -5.040456      9.553759
  H      -5.824642     -5.874618      6.183804
  N      -4.563884     -2.903769      5.073664
  N      -5.084560     -1.832160      5.907504
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.086673294252
  N      -3.567672     -3.393287      2.123773
  C      -2.600679     -3.957290      1.191311
  C      -2.206149     -5.339516      1.687172
  N      -3.312842     -5.910331      2.495289
  C      -4.464770     -6.333945      1.631171
  C      -5.771906     -6.379599      2.432601
  N      -5.851128     -5.209754      3.290973
  Mo     -4.139181     -4.282549      3.844646
  N      -3.373563     -5.632997      5.123799
  C      -2.323180     -6.532962      4.655557
  C      -2.801687     -7.058228      3.304909
  H      -2.209430     -7.373834      5.358035
  H      -1.342585     -6.031669      4.566873
  H      -3.627924     -7.760603      3.473220
  H      -2.004900     -7.574811      2.745357
  H      -6.616774     -6.395721      1.722605
  H      -5.827272     -7.309462      3.032655
  H      -4.561016     -5.598705      0.822816
  H      -4.243541     -7.318254      1.185251
  H      -1.701651     -3.325755      1.097921
  H      -3.057830     -4.012820      0.185539
  H      -1.331159     -5.269274      2.348662
  H      -1.960050     -6.018471      0.853275
  C      -3.961962     -2.068683      1.907761
  C      -3.070534     -1.006986      1.648185
  C      -3.517844      0.309192      1.581989
  C      -4.855211      0.566936      1.837688
  F      -5.280547      1.857100      1.858013
  C      -5.773703     -0.458783      2.079000
  C      -7.133122     -0.236494      2.614108
  O      -8.071663     -1.007690      2.496055
  C      -7.249913      0.984619      3.540762
  O      -8.144905      1.796842      3.463995
  C      -6.103177      1.073910      4.566581
  O      -5.192385      0.291630      4.721843
  Cl     -6.217005      2.562761      5.543536
  C      -5.325637     -1.778668      2.022424
  C      -7.070910     -4.799713      3.886970
  C      -8.349489     -5.384257      3.926723
  C      -9.331658     -4.778560      4.739491
  C      -9.065139     -3.663389      5.535460
  F     -10.032556     -3.206888      6.364477
  C      -7.782069     -3.070012      5.527431
  C      -7.361709     -1.900494      6.368768
  O      -8.009554     -0.879083      6.401477
  C      -5.891222     -1.861417      7.071662
  O      -4.591683     -3.083179      6.817477
  C      -5.289226     -0.616508      7.795079
  O      -5.992330      0.195921      8.315729
  Cl     -3.523624     -0.589553      7.958438
  C      -6.913188     -3.648523      4.640414
  C      -3.689998     -5.587981      6.488606
  C      -2.692557     -5.413637      7.478450
  C      -3.013582     -5.223697      8.816888
  C      -4.353461     -5.194194      9.180929
  F      -4.667197     -4.953716     10.476670
  C      -5.377411     -5.419641      8.252596
  C      -6.800380     -5.347003      8.601157
  O      -7.718974     -5.626918      7.837211
  C      -7.284625     -4.859142      9.979456
  O      -7.657263     -5.623761     10.836761
  C      -7.392972     -3.316342     10.151900
  O      -6.615178     -2.528897      9.697299
  Cl     -8.786771     -2.846296     11.147488
  C      -5.021593     -5.650167      6.910818
  H      -2.010311     -1.211617      1.493186
  H      -2.835675      1.134061      1.376569
  H      -6.060166     -2.582431      2.087797
  H      -8.605688     -6.288494      3.370546
  H     -10.329527     -5.214754      4.798570
  H      -5.871044     -3.272697      4.484628
  H      -1.642811     -5.409608      7.178712
  H      -2.244128     -5.068760      9.572994
  H      -5.818596     -5.869312      6.199317
  N      -4.550903     -2.911798      5.060546
  N      -5.075690     -1.851676      5.895372
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.102538106913
  N      -3.565518     -3.375144      2.128185
  C      -2.597792     -3.947915      1.200237
  C      -2.208277     -5.331816      1.695925
  N      -3.316605     -5.903074      2.500401
  C      -4.470985     -6.322720      1.639668
  C      -5.777530     -6.364254      2.442790
  N      -5.860964     -5.193127      3.300313
  Mo     -4.139585     -4.268372      3.848908
  N      -3.378091     -5.617670      5.137009
  C      -2.328985     -6.518857      4.663309
  C      -2.808042     -7.047454      3.314644
  H      -2.213888     -7.360783      5.364473
  H      -1.347478     -6.019391      4.575014
  H      -3.636224     -7.747368      3.484107
  H      -2.011790     -7.569023      2.758628
  H      -6.621449     -6.382541      1.731566
  H      -5.834422     -7.293876      3.043110
  H      -4.565461     -5.586678      0.831654
  H      -4.255164     -7.307830      1.192662
  H      -1.695962     -3.320362      1.107261
  H      -3.051948     -4.003129      0.193020
  H      -1.335177     -5.263802      2.360281
  H      -1.958985     -6.009975      0.862140
  C      -3.954271     -2.051059      1.893369
  C      -3.061644     -0.993490      1.623960
  C      -3.509535      0.321549      1.538256
  C      -4.848234      0.582949      1.783351
  F      -5.273820      1.873066      1.786020
  C      -5.767034     -0.439728      2.035701
  C      -7.124362     -0.213044      2.573385
  O      -8.065475     -0.982157      2.458038
  C      -7.233883      1.005214      3.502874
  O      -8.130333      1.818089      3.435548
  C      -6.082504      1.087797      4.521795
  O      -5.175102      0.300947      4.675618
  Cl     -6.192037      2.572196      5.509571
  C      -5.317894     -1.759519      2.000342
  C      -7.086382     -4.793304      3.890218
  C      -8.361126     -5.385686      3.929562
  C      -9.345048     -4.786535      4.745870
  C      -9.084310     -3.672891      5.546216
  F     -10.050316     -3.224747      6.380106
  C      -7.804637     -3.072813      5.537169
  C      -7.369255     -1.914192      6.379829
  O      -8.003797     -0.885553      6.424709
  C      -5.892512     -1.879841      7.065104
  O      -4.596355     -3.092234      6.843518
  C      -5.300354     -0.636327      7.797054
  O      -6.005723      0.173222      8.317301
  Cl     -3.537064     -0.599751      7.961756
  C      -6.935725     -3.641704      4.644774
  C      -3.684706     -5.588424      6.505179
  C      -2.685977     -5.421836      7.493867
  C      -3.006659     -5.245788      8.834877
  C      -4.345757     -5.222511      9.201387
  F      -4.658008     -4.994170     10.499569
  C      -5.371222     -5.440160      8.272313
  C      -6.794372     -5.370931      8.619456
  O      -7.712510     -5.646548      7.853076
  C      -7.279019     -4.894373     10.000371
  O      -7.646302     -5.661852     10.857437
  C      -7.393064     -3.353169     10.169357
  O      -6.617502     -2.567409      9.706598
  Cl     -8.778530     -2.880933     11.174101
  C      -5.015730     -5.655615      6.928530
  H      -2.000564     -1.199643      1.477295
  H      -2.826185      1.143751      1.326265
  H      -6.050464     -2.563423      2.083927
  H      -8.613151     -6.290783      3.373485
  H     -10.339896     -5.229399      4.806105
  H      -5.911006     -3.274859      4.487994
  H      -1.636692     -5.411508      7.192906
  H      -2.236636     -5.096143      9.591418
  H      -5.812748     -5.862737      6.213455
  N      -4.541219     -2.915488      5.048406
  N      -5.068383     -1.869629      5.885719
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.118646730933
  N      -3.564036     -3.357008      2.132941
  C      -2.595650     -3.937912      1.209112
  C      -2.210729     -5.323357      1.704277
  N      -3.320450     -5.895226      2.505265
  C      -4.477108     -6.311241      1.648014
  C      -5.783041     -6.348893      2.453216
  N      -5.870735     -5.176444      3.309902
  Mo     -4.140030     -4.253694      3.853015
  N      -3.382770     -5.601397      5.149461
  C      -2.334686     -6.504005      4.670701
  C      -2.814196     -7.036090      3.323897
  H      -2.218337     -7.346836      5.370686
  H      -1.352381     -6.006217      4.582900
  H      -3.644127     -7.733725      3.494559
  H      -2.018376     -7.562444      2.771478
  H      -6.626186     -6.369459      1.741033
  H      -5.841106     -7.278146      3.053969
  H      -4.570242     -5.574659      0.840163
  H      -4.266540     -7.297159      1.200130
  H      -1.691368     -3.313936      1.116554
  H      -3.047039     -3.992769      0.200588
  H      -1.339351     -5.257361      2.371238
  H      -1.958310     -6.000525      0.870469
  C      -3.947141     -2.033820      1.879623
  C      -3.053578     -0.980203      1.600701
  C      -3.502320      0.333354      1.496078
  C      -4.842257      0.597650      1.730720
  F      -5.268612      1.887264      1.716339
  C      -5.760800     -0.422632      1.993531
  C      -7.116062     -0.192975      2.533143
  O      -8.059358     -0.960587      2.420756
  C      -7.216883      1.022254      3.464352
  O      -8.114201      1.836510      3.406572
  C      -6.060324      1.097372      4.474805
  O      -5.155515      0.306531      4.628482
  Cl     -6.164249      2.577949      5.472061
  C      -5.310391     -1.741310      1.978929
  C      -7.101264     -4.786844      3.894046
  C      -8.372267     -5.386870      3.933315
  C      -9.357613     -4.793986      4.753239
  C      -9.102331     -3.681906      5.558066
  F     -10.066734     -3.242060      6.397057
  C      -7.826286     -3.075320      5.548356
  C      -7.374084     -1.927143      6.391903
  O      -7.993483     -0.890769      6.448495
  C      -5.891168     -1.899101      7.059201
  O      -4.603766     -3.095484      6.874223
  C      -5.309926     -0.657186      7.800367
  O      -6.017796      0.149077      8.320245
  Cl     -3.548987     -0.611539      7.967000
  C      -6.957617     -3.635071      4.649783
  C      -3.679752     -5.587669      6.520906
  C      -2.680175     -5.428799      7.508758
  C      -3.001091     -5.266709      8.852072
  C      -4.339435     -5.249775      9.220661
  F      -4.650407     -5.033804     10.521152
  C      -5.366075     -5.459591      8.290600
  C      -6.789753     -5.394154      8.635760
  O      -7.706673     -5.665176      7.866074
  C      -7.275051     -4.929896     10.019566
  O      -7.637879     -5.700335     10.875979
  C      -7.393244     -3.390501     10.184870
  O      -6.618146     -2.607603      9.714329
  Cl     -8.770398     -2.913681     11.196815
  C      -5.010452     -5.659865      6.944987
  H      -1.991652     -1.187357      1.462121
  H      -2.818073      1.153120      1.277787
  H      -6.040970     -2.545062      2.079876
  H      -8.620344     -6.292767      3.377369
  H     -10.349479     -5.243263      4.814753
  H      -5.950348     -3.275893      4.492331
  H      -1.631205     -5.412301      7.207272
  H      -2.230768     -5.122443      9.609289
  H      -5.807266     -5.855311      6.226463
  N      -4.533645     -2.916897      5.036528
  N      -5.061268     -1.887206      5.878143
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.075835125042
  N      -3.562787     -3.341157      2.138477
  C      -2.594644     -3.928548      1.217004
  C      -2.213808     -5.315315      1.710985
  N      -3.324606     -5.887749      2.509029
  C      -4.483055     -6.300580      1.655039
  C      -5.787997     -6.334982      2.463238
  N      -5.878842     -5.160965      3.318894
  Mo     -4.139844     -4.239091      3.856296
  N      -3.386989     -5.584528      5.158286
  C      -2.339921     -6.489699      4.675939
  C      -2.820590     -7.025648      3.331130
  H      -2.222640     -7.332701      5.375517
  H      -1.356982     -5.993565      4.588112
  H      -3.652172     -7.720898      3.503603
  H      -2.025506     -7.556898      2.782206
  H      -6.631038     -6.357841      1.751026
  H      -5.846494     -7.263428      3.065037
  H      -4.575893     -5.563878      0.847132
  H      -4.277489     -7.287229      1.206427
  H      -1.688380     -3.307661      1.124545
  H      -3.044349     -3.982423      0.207717
  H      -1.343601     -5.251099      2.379754
  H      -1.958896     -5.991129      0.876784
  C      -3.940722     -2.019417      1.868885
  C      -3.046548     -0.969400      1.580989
  C      -3.496545      0.342353      1.458992
  C      -4.837488      0.608544      1.684249
  F      -5.265299      1.897044      1.653743
  C      -5.754883     -0.410562      1.956772
  C      -7.108575     -0.180493      2.496995
  O      -8.053498     -0.947173      2.386613
  C      -7.198331      1.031974      3.427453
  O      -8.095436      1.848790      3.378207
  C      -6.037300      1.098794      4.428203
  O      -5.133100      0.305842      4.585764
  Cl     -6.134155      2.577390      5.430846
  C      -5.302940     -1.726529      1.961552
  C      -7.112851     -4.780356      3.898776
  C      -8.380374     -5.387880      3.938854
  C      -9.366585     -4.801055      4.762370
  C      -9.116374     -3.689908      5.571170
  F     -10.079755     -3.258029      6.414994
  C      -7.845076     -3.076091      5.561349
  C      -7.374993     -1.934443      6.404780
  O      -7.979349     -0.890956      6.471738
  C      -5.886463     -1.916162      7.054016
  O      -4.618294     -3.077674      6.916545
  C      -5.320899     -0.675036      7.807562
  O      -6.032762      0.127350      8.325938
  Cl     -3.561753     -0.618592      7.978432
  C      -6.976369     -3.628437      4.655561
  C      -3.675516     -5.584781      6.532661
  C      -2.675733     -5.433890      7.520161
  C      -2.997690     -5.285812      8.865394
  C      -4.335252     -5.275185      9.235632
  F      -4.645136     -5.072130     10.538416
  C      -5.362541     -5.476910      8.304242
  C      -6.787368     -5.416153      8.647208
  O      -7.701812     -5.681556      7.872808
  C      -7.273020     -4.964874     10.034696
  O      -7.631232     -5.737862     10.890906
  C      -7.393479     -3.427283     10.195107
  O      -6.618162     -2.648908      9.714082
  Cl     -8.760847     -2.942120     11.212443
  C      -5.006374     -5.661582      6.956745
  H      -1.983850     -1.176833      1.449490
  H      -2.811945      1.160094      1.234565
  H      -6.031750     -2.529753      2.078189
  H      -8.624602     -6.294743      3.383290
  H     -10.355528     -5.256406      4.825500
  H      -5.983638     -3.271632      4.497999
  H      -1.626805     -5.411785      7.219308
  H      -2.227412     -5.147334      9.623650
  H      -5.802887     -5.846019      6.235180
  N      -4.532504     -2.908627      5.029179
  N      -5.057033     -1.899074      5.879043
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.155429457927
  N      -3.561653     -3.326757      2.142631
  C      -2.594335     -3.920245      1.221855
  C      -2.216547     -5.308476      1.714445
  N      -3.328008     -5.881467      2.510990
  C      -4.489100     -6.291824      1.660596
  C      -5.792500     -6.323148      2.473169
  N      -5.885539     -5.147135      3.328172
  Mo     -4.138634     -4.224621      3.858961
  N      -3.388398     -5.567792      5.164941
  C      -2.342569     -6.476639      4.679247
  C      -2.825467     -7.016767      3.336535
  H      -2.224193     -7.319196      5.379074
  H      -1.359091     -5.982236      4.590326
  H      -3.658492     -7.709623      3.511715
  H      -2.031544     -7.552927      2.790654
  H      -6.636319     -6.348422      1.762009
  H      -5.850509     -7.250515      3.076508
  H      -4.582672     -5.555426      0.852389
  H      -4.288655     -7.279278      1.211438
  H      -1.686443     -3.302125      1.128636
  H      -3.043648     -3.972967      0.212403
  H      -1.346740     -5.245704      2.383984
  H      -1.960050     -5.982861      0.879577
  C      -3.935573     -2.006419      1.858211
  C      -3.041052     -0.959834      1.561218
  C      -3.492378      0.350022      1.423141
  C      -4.834088      0.617549      1.640722
  F      -5.263633      1.904726      1.595579
  C      -5.750160     -0.400530      1.922755
  C      -7.101984     -0.170366      2.464799
  O      -8.048846     -0.935441      2.357005
  C      -7.178219      1.038754      3.395671
  O      -8.073533      1.858992      3.356698
  C      -6.011203      1.095730      4.385908
  O      -5.108141      0.300746      4.546472
  Cl     -6.098585      2.572131      5.393875
  C      -5.296808     -1.713500      1.945372
  C      -7.122663     -4.774702      3.905943
  C      -8.386804     -5.389772      3.948291
  C      -9.373353     -4.809139      4.775936
  C      -9.127669     -3.698679      5.588186
  F     -10.090144     -3.275130      6.437270
  C      -7.861405     -3.077311      5.577400
  C      -7.374211     -1.939976      6.421157
  O      -7.964952     -0.890112      6.498632
  C      -5.880678     -1.932923      7.051584
  O      -4.636209     -3.052389      6.961944
  C      -5.330510     -0.692731      7.817968
  O      -6.046804      0.106446      8.334665
  Cl     -3.572240     -0.625488      7.993034
  C      -6.993556     -3.622604      4.663780
  C      -3.669041     -5.579812      6.542419
  C      -2.669365     -5.436712      7.529895
  C      -2.992959     -5.302261      8.876822
  C      -4.330146     -5.297546      9.248227
  F      -4.639448     -5.106904     10.552983
  C      -5.357387     -5.491028      8.314870
  C      -6.784614     -5.434584      8.651601
  O      -7.692872     -5.692962      7.867757
  C      -7.280554     -4.994990     10.043771
  O      -7.642047     -5.773344     10.895871
  C      -7.402772     -3.458919     10.202110
  O      -6.623559     -2.684725      9.717731
  Cl     -8.768054     -2.966654     11.215272
  C      -4.999857     -5.660647      6.966129
  H      -1.977710     -1.167318      1.435628
  H      -2.807732      1.165913      1.192426
  H      -6.024044     -2.515834      2.076956
  H      -8.627468     -6.297856      3.393507
  H     -10.359261     -5.270636      4.841477
  H      -6.012217     -3.264654      4.505121
  H      -1.620292     -5.409618      7.230242
  H      -2.222968     -5.169637      9.636357
  H      -5.795926     -5.834937      6.241746
  N      -4.534987     -2.895384      5.024092
  N      -5.053570     -1.909134      5.882937
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.171344106821
  N      -3.560832     -3.312632      2.146784
  C      -2.594161     -3.911873      1.227052
  C      -2.219397     -5.301317      1.718562
  N      -3.331629     -5.874832      2.513221
  C      -4.495142     -6.282444      1.666369
  C      -5.796832     -6.311206      2.483365
  N      -5.892095     -5.133475      3.337688
  Mo     -4.137395     -4.210425      3.861426
  N      -3.389675     -5.550936      5.171381
  C      -2.345133     -6.463114      4.682345
  C      -2.830628     -7.007493      3.342032
  H      -2.225357     -7.305162      5.382438
  H      -1.361237     -5.970271      4.592040
  H      -3.665115     -7.697852      3.520128
  H      -2.038037     -7.548637      2.799088
  H      -6.641494     -6.338946      1.773354
  H      -5.854086     -7.237575      3.088132
  H      -4.589582     -5.546090      0.858116
  H      -4.299712     -7.270508      1.216349
  H      -1.684758     -3.296349      1.133270
  H      -3.042821     -3.963638      0.217334
  H      -1.350210     -5.239798      2.389130
  H      -1.960967     -5.974331      0.883192
  C      -3.930914     -1.993950      1.847920
  C      -3.036258     -0.950698      1.541905
  C      -3.489161      0.357005      1.388006
  C      -4.831650      0.625454      1.598051
  F      -5.263162      1.911066      1.538504
  C      -5.746165     -0.391718      1.889664
  C      -7.096045     -0.161671      2.433748
  O      -8.044659     -0.925434      2.329037
  C      -7.158662      1.044112      3.364696
  O      -8.052406      1.867417      3.336544
  C      -5.985218      1.091528      4.343459
  O      -5.083063      0.294652      4.506348
  Cl     -6.062780      2.565447      5.356991
  C      -5.291161     -1.701323      1.929937
  C      -7.131896     -4.769170      3.913651
  C      -8.392738     -5.391508      3.958591
  C      -9.379308     -4.816805      4.790511
  C      -9.137763     -3.707037      5.606087
  F     -10.098999     -3.291547      6.460574
  C      -7.876479     -3.078449      5.594142
  C      -7.371523     -1.945207      6.437672
  O      -7.947902     -0.888884      6.525518
  C      -5.873228     -1.949022      7.049213
  O      -4.653834     -3.024975      7.005595
  C      -5.338681     -0.709962      7.827738
  O      -6.059422      0.086177      8.342392
  Cl     -3.581371     -0.631590      8.006655
  C      -7.009656     -3.616952      4.672385
  C      -3.662491     -5.574560      6.551757
  C      -2.663217     -5.439093      7.539423
  C      -2.988876     -5.318411      8.887836
  C      -4.325797     -5.319767      9.259989
  F      -4.634879     -5.141487     10.566505
  C      -5.352699     -5.504878      8.324391
  C      -6.782536     -5.452384      8.653898
  O      -7.683923     -5.702261      7.859580
  C      -7.290145     -5.025383     10.050904
  O      -7.659753     -5.809635     10.896448
  C      -7.411683     -3.490771     10.208717
  O      -6.625282     -2.721726      9.724762
  Cl     -8.776471     -2.990072     11.214755
  C      -4.993353     -5.659422      6.974707
  H      -1.972278     -1.157937      1.421999
  H      -2.804663      1.171161      1.151035
  H      -6.016645     -2.502623      2.076571
  H      -8.630124     -6.300774      3.404675
  H     -10.362207     -5.284240      4.858685
  H      -6.039862     -3.258233      4.512374
  H      -1.613918     -5.406958      7.241359
  H      -2.219407     -5.191614      9.648829
  H      -5.788757     -5.823512      6.247411
  N      -4.536892     -2.882481      5.018366
  N      -5.049101     -1.919278      5.886112
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.184776608632
  N      -3.560045     -3.312661      2.142639
  C      -2.595150     -3.915386      1.222064
  C      -2.221393     -5.303266      1.718659
  N      -3.335971     -5.873614      2.513191
  C      -4.501441     -6.278631      1.667261
  C      -5.799510     -6.308498      2.489563
  N      -5.892867     -5.128860      3.342315
  Mo     -4.135763     -4.201498      3.858308
  N      -3.384439     -5.536546      5.167459
  C      -2.342597     -6.453889      4.680005
  C      -2.837338     -7.005168      3.345589
  H      -2.219777     -7.290830      5.385418
  H      -1.359359     -5.961982      4.580949
  H      -3.674034     -7.690560      3.532069
  H      -2.049431     -7.553450      2.803296
  H      -6.647250     -6.338992      1.783463
  H      -5.852534     -7.232935      3.097531
  H      -4.598608     -5.541525      0.860083
  H      -4.309159     -7.266327      1.215133
  H      -1.685457     -3.300968      1.125501
  H      -3.045819     -3.968763      0.213465
  H      -1.352938     -5.239708      2.390038
  H      -1.961634     -5.977972      0.885280
  C      -3.932084     -1.995738      1.838581
  C      -3.036363     -0.956404      1.522933
  C      -3.488025      0.350456      1.358062
  C      -4.829570      0.621943      1.569214
  F      -5.260262      1.907277      1.500055
  C      -5.744766     -0.391487      1.872616
  C      -7.089914     -0.153997      2.427652
  O      -8.046800     -0.906468      2.324942
  C      -7.127508      1.048440      3.365611
  O      -8.011752      1.879831      3.353198
  C      -5.941314      1.081365      4.332356
  O      -5.046089      0.278559      4.489432
  Cl     -5.994154      2.554193      5.348576
  C      -5.291851     -1.701318      1.923407
  C      -7.131636     -4.765241      3.923667
  C      -8.390846     -5.392309      3.975340
  C      -9.375601     -4.821217      4.810930
  C      -9.134225     -3.709564      5.624324
  F     -10.095619     -3.298321      6.482471
  C      -7.877016     -3.074731      5.606087
  C      -7.366090     -1.934424      6.448389
  O      -7.940147     -0.875897      6.541014
  C      -5.867815     -1.954977      7.047776
  O      -4.681036     -2.982750      7.042634
  C      -5.342843     -0.718054      7.841526
  O      -6.068239      0.078124      8.354460
  Cl     -3.581983     -0.627716      8.021585
  C      -7.013522     -3.611633      4.679619
  C      -3.656034     -5.554580      6.549074
  C      -2.656349     -5.419422      7.535642
  C      -2.983042     -5.303596      8.884508
  C      -4.320522     -5.313482      9.257395
  F      -4.629988     -5.145668     10.565189
  C      -5.345791     -5.500648      8.320693
  C      -6.778717     -5.467871      8.644040
  O      -7.668547     -5.738072      7.843724
  C      -7.311269     -5.055254     10.047861
  O      -7.610641     -5.856286     10.910569
  C      -7.489177     -3.525664     10.205988
  O      -6.752757     -2.728698      9.688956
  Cl     -8.845670     -3.073971     11.244888
  C      -4.985774     -5.644140      6.970688
  H      -1.972720     -1.165623      1.403199
  H      -2.803033      1.161799      1.112831
  H      -6.017966     -2.499464      2.083725
  H      -8.626871     -6.304013      3.424352
  H     -10.356466     -5.292337      4.884193
  H      -6.035208     -3.238054      4.514409
  H      -1.606921     -5.383790      7.238053
  H      -2.213967     -5.176963      9.646013
  H      -5.780728     -5.809437      6.243198
  N      -4.549818     -2.852805      5.020719
  N      -5.047797     -1.916159      5.893772
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.197503021857
  N      -3.559634     -3.305337      2.141224
  C      -2.599616     -3.916318      1.221245
  C      -2.226723     -5.301579      1.724888
  N      -3.341273     -5.868804      2.520070
  C      -4.508429     -6.271449      1.678001
  C      -5.801316     -6.301434      2.504754
  N      -5.894601     -5.119655      3.353239
  Mo     -4.132716     -4.189045      3.858731
  N      -3.377097     -5.517768      5.170487
  C      -2.338151     -6.436643      4.681855
  C      -2.843318     -6.996187      3.356385
  H      -2.209544     -7.268818      5.391870
  H      -1.356172     -5.944655      4.572660
  H      -3.681734     -7.676619      3.553034
  H      -2.060696     -7.551983      2.814031
  H      -6.651638     -6.336839      1.801905
  H      -5.849878     -7.223805      3.116269
  H      -4.607929     -5.533120      0.872208
  H      -4.319682     -7.258915      1.223717
  H      -1.688688     -3.304781      1.118442
  H      -3.053878     -3.973695      0.214513
  H      -1.358931     -5.235302      2.396840
  H      -1.965495     -5.979443      0.894501
  C      -3.934854     -1.991096      1.825366
  C      -3.039653     -0.956935      1.492377
  C      -3.491073      0.347356      1.307910
  C      -4.830993      0.624558      1.521747
  F      -5.259904      1.909274      1.434282
  C      -5.746175     -0.381429      1.848259
  C      -7.082110     -0.128998      2.424091
  O      -8.052010     -0.864474      2.322479
  C      -7.091529      1.067248      3.375737
  O      -7.966119      1.908980      3.383360
  C      -5.889669      1.082256      4.325815
  O      -5.005650      0.265992      4.465496
  Cl     -5.906402      2.552653      5.349714
  C      -5.294819     -1.693451      1.916113
  C      -7.134170     -4.763137      3.936077
  C      -8.389150     -5.399044      3.993727
  C      -9.373489     -4.835118      4.834277
  C      -9.135953     -3.721628      5.646026
  F     -10.096003     -3.317266      6.509114
  C      -7.884028     -3.077467      5.619133
  C      -7.365189     -1.934868      6.453029
  O      -7.930324     -0.871362      6.546097
  C      -5.865816     -1.970653      7.042738
  O      -4.702513     -2.970387      7.071725
  C      -5.351042     -0.737409      7.853747
  O      -6.081143      0.049653      8.373944
  Cl     -3.589093     -0.629514      8.034369
  C      -7.022145     -3.607533      4.688490
  C      -3.647632     -5.540171      6.552027
  C      -2.649404     -5.403047      7.538671
  C      -2.979446     -5.296170      8.887614
  C      -4.317423     -5.318993      9.258758
  F      -4.630100     -5.160411     10.566780
  C      -5.339977     -5.510311      8.319783
  C      -6.774163     -5.494396      8.639066
  O      -7.658652     -5.770116      7.834973
  C      -7.316662     -5.083133     10.040936
  O      -7.608534     -5.885061     10.905314
  C      -7.548633     -3.559330     10.175030
  O      -6.841980     -2.747687      9.639450
  Cl     -8.897303     -3.135742     11.234598
  C      -4.977027     -5.640720      6.969900
  H      -1.976456     -1.168329      1.372364
  H      -2.805956      1.153785      1.047092
  H      -6.019759     -2.487289      2.101715
  H      -8.621100     -6.313603      3.445725
  H     -10.350467     -5.313529      4.912974
  H      -6.046305     -3.230053      4.518648
  H      -1.599958     -5.356329      7.242566
  H      -2.212494     -5.166617      9.650833
  H      -5.769655     -5.803745      6.239297
  N      -4.548743     -2.842703      5.017442
  N      -5.039373     -1.928588      5.891747
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.208359762430
  N      -3.557984     -3.297849      2.139616
  C      -2.603431     -3.918084      1.220649
  C      -2.231427     -5.300037      1.733059
  N      -3.346273     -5.863580      2.529248
  C      -4.514271     -6.265445      1.690529
  C      -5.802432     -6.294723      2.521058
  N      -5.895709     -5.109453      3.363417
  Mo     -4.130140     -4.175445      3.859152
  N      -3.370533     -5.496267      5.175128
  C      -2.334177     -6.416984      4.686656
  C      -2.849011     -6.986093      3.370376
  H      -2.199585     -7.243564      5.402085
  H      -1.353590     -5.924894      4.567017
  H      -3.689121     -7.661217      3.577691
  H      -2.071747     -7.549883      2.828380
  H      -6.655103     -6.336267      1.821304
  H      -5.846815     -7.214145      3.137426
  H      -4.615761     -5.526615      0.885437
  H      -4.328140     -7.252974      1.235012
  H      -1.691084     -3.309930      1.110605
  H      -3.061486     -3.980651      0.215995
  H      -1.364513     -5.229939      2.405698
  H      -1.968223     -5.982023      0.906605
  C      -3.937235     -1.986934      1.812177
  C      -3.042499     -0.958207      1.461882
  C      -3.493122      0.343812      1.261356
  C      -4.831383      0.626279      1.479024
  F      -5.258920      1.910314      1.376987
  C      -5.746493     -0.372639      1.824942
  C      -7.074144     -0.105187      2.416092
  O      -8.055323     -0.825534      2.318545
  C      -7.057032      1.086858      3.376579
  O      -7.925839      1.934088      3.405792
  C      -5.838810      1.087400      4.307524
  O      -4.966553      0.257323      4.430045
  Cl     -5.820310      2.555894      5.336656
  C      -5.296971     -1.686090      1.909248
  C      -7.135919     -4.759053      3.947280
  C      -8.386219     -5.403991      4.011325
  C      -9.370890     -4.845618      4.855064
  C      -9.138518     -3.727628      5.662103
  F     -10.097864     -3.327995      6.528174
  C      -7.892454     -3.073045      5.625224
  C      -7.369303     -1.923152      6.445895
  O      -7.926292     -0.854685      6.531357
  C      -5.870832     -1.971162      7.030483
  O      -4.728776     -2.949871      7.095006
  C      -5.366553     -0.738756      7.854255
  O      -6.102626      0.035947      8.384523
  Cl     -3.603929     -0.615615      8.039227
  C      -7.030372     -3.599243      4.693485
  C      -3.643892     -5.524380      6.556050
  C      -2.649609     -5.384184      7.545541
  C      -2.985417     -5.291223      8.894340
  C      -4.324197     -5.332691      9.261654
  F      -4.642541     -5.186240     10.569556
  C      -5.341961     -5.527845      8.318183
  C      -6.777829     -5.528786      8.630543
  O      -7.655607     -5.802276      7.818620
  C      -7.335205     -5.136667     10.034252
  O      -7.617247     -5.949948     10.891521
  C      -7.557363     -3.614432     10.189660
  O      -6.875471     -2.802758      9.623994
  Cl     -8.899689     -3.193787     11.257852
  C      -4.973340     -5.640700      6.968544
  H      -1.979788     -1.171915      1.341770
  H      -2.807849      1.145593      0.986839
  H      -6.020626     -2.475283      2.118483
  H      -8.613280     -6.322649      3.468197
  H     -10.343623     -5.331637      4.939796
  H      -6.057446     -3.219002      4.519473
  H      -1.599920     -5.323122      7.252997
  H      -2.222275     -5.158442      9.660838
  H      -5.762055     -5.802137      6.233379
  N      -4.549256     -2.828957      5.013193
  N      -5.034134     -1.932268      5.881745
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.217877505843
  N      -3.555167     -3.292335      2.137027
  C      -2.606862     -3.921331      1.218087
  C      -2.235616     -5.299988      1.738977
  N      -3.350888     -5.859934      2.536501
  C      -4.519712     -6.261167      1.700787
  C      -5.803133     -6.289755      2.535662
  N      -5.895583     -5.100747      3.371948
  Mo     -4.127019     -4.163619      3.858164
  N      -3.362647     -5.476180      5.177363
  C      -2.329439     -6.399871      4.689455
  C      -2.854322     -6.978272      3.382099
  H      -2.188882     -7.220527      5.410474
  H      -1.350198     -5.908190      4.558935
  H      -3.696236     -7.647675      3.600187
  H      -2.082845     -7.550266      2.840290
  H      -6.658532     -6.337347      1.839605
  H      -5.843249     -7.206011      3.157090
  H      -4.623498     -5.521783      0.896501
  H      -4.336035     -7.248596      1.243824
  H      -1.693108     -3.316750      1.100329
  H      -3.069334     -3.988786      0.215856
  H      -1.369371     -5.225909      2.411993
  H      -1.970559     -5.985920      0.916364
  C      -3.938637     -1.984803      1.799971
  C      -3.044140     -0.961797      1.432854
  C      -3.493507      0.338376      1.219328
  C      -4.829845      0.626041      1.442609
  F      -5.255903      1.909574      1.329465
  C      -5.744671     -0.366100      1.806601
  C      -7.064027     -0.084459      2.411857
  O      -8.055959     -0.789663      2.318035
  C      -7.022008      1.104336      3.378689
  O      -7.886807      1.954355      3.429056
  C      -5.790598      1.091039      4.293494
  O      -4.929485      0.248555      4.400748
  Cl     -5.742521      2.555268      5.329153
  C      -5.297580     -1.680528      1.904596
  C      -7.135794     -4.755459      3.957659
  C      -8.381334     -5.409208      4.028420
  C      -9.366431     -4.855952      4.874723
  C      -9.139280     -3.733111      5.676477
  F     -10.098057     -3.337733      6.545177
  C      -7.899344     -3.068145      5.629920
  C      -7.373542     -1.910053      6.437983
  O      -7.923310     -0.837111      6.515639
  C      -5.877309     -1.970449      7.019004
  O      -4.757258     -2.929118      7.116447
  C      -5.384439     -0.740049      7.856556
  O      -6.126471      0.021268      8.398036
  Cl     -3.620991     -0.597699      8.040548
  C      -7.036389     -3.591136      4.697247
  C      -3.640309     -5.508063      6.557465
  C      -2.650263     -5.363481      7.549942
  C      -2.992341     -5.281511      8.897965
  C      -4.332048     -5.339547      9.260275
  F      -4.656643     -5.203686     10.567636
  C      -5.344406     -5.540107      8.312081
  C      -6.781774     -5.557221      8.617183
  O      -7.651900     -5.842331      7.801181
  C      -7.351693     -5.180414     10.021536
  O      -7.628286     -6.003137     10.871990
  C      -7.600050     -3.663020     10.178259
  O      -6.914010     -2.840827      9.632916
  Cl     -8.879266     -3.263709     11.328437
  C      -4.969921     -5.639154      6.963368
  H      -1.982157     -1.178223      1.311505
  H      -2.808157      1.135634      0.932097
  H      -6.020116     -2.464746      2.135430
  H      -8.603392     -6.332024      3.490357
  H     -10.334860     -5.349397      4.965501
  H      -6.065193     -3.206728      4.519196
  H      -1.600409     -5.288818      7.261333
  H      -2.233536     -5.144560      9.668011
  H      -5.754445     -5.800133      6.223688
  N      -4.551561     -2.813923      5.010933
  N      -5.030749     -1.934439      5.873317
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.226467339127
  N      -3.554246     -3.286527      2.134865
  C      -2.615227     -3.924815      1.213861
  C      -2.243870     -5.300011      1.742396
  N      -3.357691     -5.856516      2.543517
  C      -4.529243     -6.256488      1.713663
  C      -5.805681     -6.284539      2.555954
  N      -5.895517     -5.092197      3.386368
  Mo     -4.122263     -4.153144      3.858622
  N      -3.349590     -5.457219      5.179671
  C      -2.321248     -6.383539      4.689048
  C      -2.859745     -6.970725      3.392162
  H      -2.172484     -7.198519      5.414823
  H      -1.343739     -5.892470      4.544999
  H      -3.703005     -7.634081      3.623101
  H      -2.095796     -7.551077      2.848379
  H      -6.665502     -6.338154      1.865735
  H      -5.839988     -7.197846      3.182159
  H      -4.637073     -5.515925      0.910973
  H      -4.349215     -7.243536      1.254145
  H      -1.700062     -3.324414      1.085726
  H      -3.084705     -3.997276      0.215281
  H      -1.376894     -5.222016      2.414000
  H      -1.978590     -5.989968      0.923163
  C      -3.942472     -1.982418      1.789267
  C      -3.049163     -0.965703      1.402369
  C      -3.497706      0.332562      1.176572
  C      -4.831390      0.625859      1.409246
  F      -5.256116      1.908922      1.285717
  C      -5.744726     -0.358758      1.795230
  C      -7.053638     -0.062175      2.418309
  O      -8.056936     -0.751160      2.329883
  C      -6.985953      1.123166      3.391531
  O      -7.846434      1.975756      3.463634
  C      -5.741075      1.096192      4.289190
  O      -4.891114      0.241814      4.378689
  Cl     -5.664351      2.553784      5.333956
  C      -5.300032     -1.674151      1.905581
  C      -7.134331     -4.752715      3.976765
  C      -8.374520     -5.415690      4.057050
  C      -9.358180     -4.868070      4.908351
  C      -9.134502     -3.740853      5.704628
  F     -10.090169     -3.350216      6.578814
  C      -7.900884     -3.065666      5.645516
  C      -7.370924     -1.901312      6.440867
  O      -7.913080     -0.824169      6.513566
  C      -5.875617     -1.973633      7.015865
  O      -4.773166     -2.918549      7.139658
  C      -5.391491     -0.746687      7.866748
  O      -6.137544     -0.000189      8.423134
  Cl     -3.627144     -0.580386      8.038779
  C      -7.039325     -3.584224      4.709580
  C      -3.629978     -5.494041      6.559039
  C      -2.643753     -5.342985      7.553737
  C      -2.991399     -5.271433      8.900975
  C      -4.331693     -5.346967      9.258428
  F      -4.662221     -5.221824     10.565266
  C      -5.338659     -5.555403      8.306081
  C      -6.776836     -5.590636      8.604571
  O      -7.639560     -5.888803      7.785335
  C      -7.359279     -5.210494     10.003597
  O      -7.637211     -6.031492     10.855374
  C      -7.653005     -3.698775     10.132741
  O      -7.017975     -2.868771      9.538619
  Cl     -8.947445     -3.314478     11.271221
  C      -4.959047     -5.641806      6.958533
  H      -1.988378     -1.185360      1.276504
  H      -2.813088      1.124842      0.874100
  H      -6.020514     -2.452886      2.160374
  H      -8.592557     -6.342500      3.524276
  H     -10.321810     -5.369299      5.007453
  H      -6.070930     -3.197140      4.525143
  H      -1.594298     -5.252574      7.268238
  H      -2.236917     -5.128581      9.674216
  H      -5.739435     -5.802962      6.214528
  N      -4.546512     -2.803673      5.011333
  N      -5.019502     -1.940573      5.868625
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.233940125495
  N      -3.550687     -3.280071      2.132768
  C      -2.619743     -3.929037      1.212045
  C      -2.249184     -5.300314      1.750409
  N      -3.363303     -5.852548      2.553136
  C      -4.535384     -6.252118      1.726579
  C      -5.806702     -6.278760      2.573060
  N      -5.895487     -5.082293      3.396166
  Mo     -4.119155     -4.141334      3.858052
  N      -3.341267     -5.435215      5.183772
  C      -2.317460     -6.365402      4.693779
  C      -2.866359     -6.961980      3.406677
  H      -2.162717     -7.174180      5.425192
  H      -1.341118     -5.875781      4.538321
  H      -3.711613     -7.618765      3.648805
  H      -2.108876     -7.551256      2.863304
  H      -6.669335     -6.338961      1.886845
  H      -5.836795     -7.188447      3.204797
  H      -4.645345     -5.511004      0.924665
  H      -4.357767     -7.239107      1.265784
  H      -1.702810     -3.333387      1.074337
  H      -3.094561     -4.007531      0.216483
  H      -1.382959     -5.217648      2.422373
  H      -1.981876     -5.995128      0.935913
  C      -3.942850     -1.979629      1.777308
  C      -3.050049     -0.969715      1.371609
  C      -3.497000      0.326542      1.132234
  C      -4.828197      0.626303      1.371632
  F      -5.251088      1.908704      1.235271
  C      -5.740885     -0.349974      1.778146
  C      -7.041738     -0.037398      2.412630
  O      -8.055413     -0.710744      2.326826
  C      -6.953504      1.145081      3.391302
  O      -7.807948      2.002394      3.477081
  C      -5.699112      1.106483      4.276379
  O      -4.859870      0.241222      4.351429
  Cl     -5.598748      2.558005      5.328585
  C      -5.299095     -1.666410      1.902434
  C      -7.134216     -4.748105      3.987873
  C      -8.368821     -5.420543      4.075164
  C      -9.353357     -4.877724      4.928224
  C      -9.135679     -3.744851      5.717888
  F     -10.090434     -3.357767      6.594453
  C      -7.908682     -3.059000      5.648259
  C      -7.377822     -1.886581      6.429962
  O      -7.913267     -0.805400      6.493167
  C      -5.885718     -1.968127      7.004492
  O      -4.798897     -2.904103      7.156055
  C      -5.413701     -0.743486      7.868033
  O      -6.165644     -0.016936      8.442865
  Cl     -3.649553     -0.553880      8.033648
  C      -7.045479     -3.574146      4.712344
  C      -3.627304     -5.477642      6.561965
  C      -2.646687     -5.320766      7.560855
  C      -3.001109     -5.263911      8.907233
  C      -4.341729     -5.360999      9.259023
  F      -4.678972     -5.250833     10.565383
  C      -5.342384     -5.574747      8.301253
  C      -6.781638     -5.630614      8.592040
  O      -7.636222     -5.928533      7.764371
  C      -7.379587     -5.265694      9.989727
  O      -7.656718     -6.095616     10.833095
  C      -7.659175     -3.754092     10.137027
  O      -7.029973     -2.925994      9.535658
  Cl     -8.913124     -3.367258     11.319099
  C      -4.956164     -5.643141      6.954688
  H      -1.990404     -1.193058      1.242988
  H      -2.812494      1.113159      0.815050
  H      -6.018267     -2.439046      2.178748
  H      -8.580978     -6.352030      3.548327
  H     -10.312114     -5.386885      5.033920
  H      -6.079704     -3.184917      4.523598
  H      -1.597567     -5.213826      7.280027
  H      -2.251756     -5.116740      9.684637
  H      -5.731675     -5.804121      6.205601
  N      -4.545960     -2.790696      5.008840
  N      -5.016383     -1.940235      5.857708
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.240679493942
  N      -3.547312     -3.276026      2.129088
  C      -2.627189     -3.935987      1.206474
  C      -2.257361     -5.303301      1.753901
  N      -3.370632     -5.850485      2.560735
  C      -4.545054     -6.249652      1.739754
  C      -5.809848     -6.273643      2.593161
  N      -5.894979     -5.072622      3.408829
  Mo     -4.114436     -4.131168      3.856732
  N      -3.328810     -5.414101      5.185938
  C      -2.311305     -6.349619      4.695213
  C      -2.873194     -6.955384      3.418675
  H      -2.149776     -7.151931      5.432203
  H      -1.336101     -5.862445      4.526359
  H      -3.720092     -7.605189      3.673510
  H      -2.123452     -7.553890      2.874509
  H      -6.676783     -6.339952      1.912919
  H      -5.835124     -7.179392      3.230796
  H      -4.658420     -5.508419      0.938407
  H      -4.371139     -7.236894      1.277881
  H      -1.708439     -3.345909      1.056970
  H      -3.109662     -4.020257      0.215117
  H      -1.390467     -5.216295      2.424407
  H      -1.990061     -6.003217      0.943753
  C      -3.942916     -1.978954      1.765492
  C      -3.050830     -0.976624      1.339819
  C      -3.495874      0.318329      1.090388
  C      -4.823828      0.625205      1.340172
  F      -5.244327      1.907401      1.194585
  C      -5.735584     -0.342753      1.766969
  C      -7.028229     -0.015180      2.412775
  O      -8.050899     -0.674733      2.331774
  C      -6.921363      1.166336      3.393692
  O      -7.772226      2.025646      3.492487
  C      -5.659808      1.118009      4.268638
  O      -4.829500      0.244044      4.330439
  Cl     -5.541078      2.562510      5.328899
  C      -5.297069     -1.659963      1.902439
  C      -7.131908     -4.742304      4.004611
  C      -8.361125     -5.423203      4.101734
  C      -9.344508     -4.884217      4.958022
  C      -9.130281     -3.745930      5.740413
  F     -10.081837     -3.361670      6.621590
  C      -7.909745     -3.050592      5.658034
  C      -7.376590     -1.871781      6.426988
  O      -7.905344     -0.786894      6.483161
  C      -5.886526     -1.962645      6.998453
  O      -4.814538     -2.890938      7.172796
  C      -5.425361     -0.742266      7.874911
  O      -6.181148     -0.040226      8.474308
  Cl     -3.661620     -0.524775      8.024192
  C      -7.047046     -3.562922      4.720083
  C      -3.620025     -5.459953      6.562999
  C      -2.644681     -5.295059      7.565246
  C      -3.005642     -5.248853      8.910234
  C      -4.346428     -5.365284      9.255637
  F      -4.690764     -5.266451     10.560975
  C      -5.340399     -5.587054      8.292760
  C      -6.779853     -5.662985      8.576534
  O      -7.625677     -5.980527      7.747200
  C      -7.388149     -5.313997      9.974151
  O      -7.665952     -6.153319     10.807842
  C      -7.703525     -3.809120     10.117696
  O      -7.109812     -2.969023      9.495937
  Cl     -8.948526     -3.446784     11.316889
  C      -4.948305     -5.642563      6.947744
  H      -1.992858     -1.204437      1.205713
  H      -2.811830      1.099190      0.758313
  H      -6.014763     -2.426180      2.199711
  H      -8.568939     -6.359311      3.581526
  H     -10.298439     -5.400493      5.072371
  H      -6.083736     -3.171327      4.524921
  H      -1.596256     -5.171958      7.288641
  H      -2.261739     -5.095185      9.691598
  H      -5.718778     -5.805109      6.193852
  N      -4.541663     -2.777115      5.007428
  N      -5.007880     -1.938517      5.850305
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.246768505126
  N      -3.543579     -3.271253      2.127190
  C      -2.633571     -3.941476      1.203019
  C      -2.264373     -5.305125      1.758776
  N      -3.377226     -5.848085      2.568531
  C      -4.553199     -6.246854      1.751962
  C      -5.812205     -6.268957      2.611060
  N      -5.894561     -5.064054      3.420094
  Mo     -4.110497     -4.122318      3.856000
  N      -3.317852     -5.394467      5.188733
  C      -2.306425     -6.335078      4.697434
  C      -2.879691     -6.948820      3.430458
  H      -2.138998     -7.131664      5.439269
  H      -1.332160     -5.850472      4.516787
  H      -3.728123     -7.592151      3.696387
  H      -2.136961     -7.555690      2.885794
  H      -6.682815     -6.340907      1.936045
  H      -5.833065     -7.171267      3.253778
  H      -4.669469     -5.505096      0.951490
  H      -4.382191     -7.234056      1.288716
  H      -1.713133     -3.356773      1.042636
  H      -3.123025     -4.031081      0.215577
  H      -1.397339     -5.214004      2.428527
  H      -1.996344     -6.009591      0.952784
  C      -3.942342     -1.977335      1.756397
  C      -3.051349     -0.981849      1.312567
  C      -3.494928      0.311888      1.054419
  C      -4.819863      0.625057      1.313574
  F      -5.238475      1.906989      1.159939
  C      -5.730404     -0.335403      1.758400
  C      -7.016301      0.005337      2.412558
  O      -8.046572     -0.642072      2.334818
  C      -6.894948      1.186265      3.394985
  O      -7.742049      2.048103      3.502381
  C      -5.628058      1.130160      4.262120
  O      -4.805101      0.249344      4.312105
  Cl     -5.495640      2.567529      5.330600
  C      -5.294465     -1.653056      1.903963
  C      -7.130141     -4.738096      4.019373
  C      -8.353785     -5.427629      4.125171
  C      -9.336585     -4.892922      4.984395
  C      -9.126439     -3.749596      5.760216
  F     -10.075208     -3.368703      6.645790
  C      -7.912500     -3.044711      5.666114
  C      -7.377955     -1.860103      6.423980
  O      -7.900948     -0.772080      6.473675
  C      -5.889952     -1.958202      6.993860
  O      -4.830018     -2.881344      7.189230
  C      -5.440551     -0.741964      7.882660
  O      -6.199592     -0.067119      8.508789
  Cl     -3.678417     -0.489836      8.009516
  C      -7.049789     -3.553579      4.726417
  C      -3.614904     -5.445562      6.564561
  C      -2.645896     -5.272708      7.571210
  C      -3.013964     -5.238714      8.914776
  C      -4.354671     -5.376077      9.253346
  F      -4.706459     -5.290003     10.557599
  C      -5.341221     -5.606301      8.284933
  C      -6.780850     -5.705171      8.560680
  O      -7.617915     -6.024305      7.723207
  C      -7.404810     -5.355798      9.952112
  O      -7.684323     -6.194752     10.785414
  C      -7.723426     -3.851468     10.089241
  O      -7.147598     -3.015752      9.445956
  Cl     -8.937960     -3.482095     11.317336
  C      -4.942401     -5.646762      6.941592
  H      -1.994939     -1.213633      1.173251
  H      -2.811590      1.087557      0.708930
  H      -6.010457     -2.413342      2.219964
  H      -8.556679     -6.368132      3.611077
  H     -10.285583     -5.416432      5.106652
  H      -6.088934     -3.159593      4.525512
  H      -1.598355     -5.132461      7.299584
  H      -2.276028     -5.078622      9.700513
  H      -5.707379     -5.811394      6.182613
  N      -4.538235     -2.765469      5.006598
  N      -5.001602     -1.937130      5.843697
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.252383553965
  N      -3.538701     -3.267908      2.123413
  C      -2.639215     -3.949215      1.198019
  C      -2.271459     -5.309126      1.762655
  N      -3.384257     -5.846626      2.575790
  C      -4.561847     -6.245260      1.763653
  C      -5.815502     -6.263837      2.628100
  N      -5.894228     -5.054450      3.429855
  Mo     -4.106533     -4.113335      3.853679
  N      -3.307666     -5.373985      5.190836
  C      -2.303166     -6.321369      4.700123
  C      -2.887356     -6.943089      3.442536
  H      -2.131125     -7.111967      5.447236
  H      -1.329282     -5.840590      4.508076
  H      -3.737597     -7.579471      3.719174
  H      -2.151582     -7.558737      2.898170
  H      -6.689628     -6.340972      1.958191
  H      -5.832893     -7.162250      3.276387
  H      -4.680404     -5.503806      0.963212
  H      -4.394101     -7.232998      1.300215
  H      -1.716884     -3.370582      1.026452
  H      -3.135722     -4.044293      0.214644
  H      -1.404185     -5.214077      2.431510
  H      -2.003295     -6.018716      0.961200
  C      -3.939458     -1.976947      1.745129
  C      -3.049150     -0.988983      1.283340
  C      -3.490683      0.303749      1.016720
  C      -4.812337      0.624089      1.285058
  F      -5.228249      1.905949      1.123470
  C      -5.722143     -0.328364      1.747373
  C      -7.002026      0.025542      2.408113
  O      -8.038867     -0.611137      2.333728
  C      -6.868914      1.207117      3.390658
  O      -7.712368      2.071859      3.502618
  C      -5.599283      1.144757      4.253506
  O      -4.782650      0.258274      4.294076
  Cl     -5.457117      2.575726      5.329077
  C      -5.289323     -1.646528      1.902675
  C      -7.128203     -4.731330      4.032195
  C      -8.346796     -5.428271      4.146957
  C      -9.328751     -4.896480      5.008408
  C      -9.121791     -3.748118      5.777158
  F     -10.067291     -3.369414      6.667098
  C      -7.913923     -3.035082      5.671415
  C      -7.377552     -1.845958      6.418937
  O      -7.894443     -0.754729      6.462951
  C      -5.891624     -1.951323      6.987592
  O      -4.843912     -2.870358      7.202116
  C      -5.454175     -0.740516      7.888664
  O      -6.214316     -0.096754      8.545270
  Cl     -3.694666     -0.454214      7.992424
  C      -7.051424     -3.541458      4.730086
  C      -3.610665     -5.427919      6.565467
  C      -2.647513     -5.247041      7.575899
  C      -3.021888     -5.222923      8.917910
  C      -4.362227     -5.378498      9.249994
  F      -4.720752     -5.303032     10.553042
  C      -5.342112     -5.615549      8.276548
  C      -6.781406     -5.733497      8.545706
  O      -7.610005     -6.068706      7.706206
  C      -7.413700     -5.408936      9.939886
  O      -7.691258     -6.262070     10.759026
  C      -7.751357     -3.910055     10.091376
  O      -7.203984     -3.062931      9.437890
  Cl     -8.947336     -3.564743     11.344311
  C      -4.937495     -5.644499      6.934829
  H      -1.994524     -1.225365      1.138671
  H      -2.807783      1.073764      0.657977
  H      -6.004046     -2.400415      2.236313
  H      -8.545310     -6.373243      3.639545
  H     -10.273176     -5.426236      5.138688
  H      -6.093025     -3.145499      4.523393
  H      -1.600939     -5.092121      7.308761
  H      -2.289513     -5.056870      9.707591
  H      -5.697357     -5.811439      6.171296
  N      -4.534746     -2.752128      5.003474
  N      -4.995178     -1.932773      5.835682
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.257693536674
  N      -3.534133     -3.264561      2.121100
  C      -2.645113     -3.955791      1.193869
  C      -2.278450     -5.312322      1.766029
  N      -3.391031     -5.845196      2.582304
  C      -4.570264     -6.243564      1.774384
  C      -5.818705     -6.259408      2.644188
  N      -5.893894     -5.046262      3.439790
  Mo     -4.102770     -4.106004      3.852161
  N      -3.297251     -5.355709      5.192949
  C      -2.299652     -6.309479      4.702020
  C      -2.894300     -6.937944      3.453053
  H      -2.123145     -7.094860      5.453536
  H      -1.326151     -5.832451      4.499323
  H      -3.745996     -7.567994      3.739513
  H      -2.165161     -7.561432      2.908558
  H      -6.696320     -6.341067      1.979356
  H      -5.832560     -7.154516      3.297159
  H      -4.691288     -5.502000      0.974389
  H      -4.405472     -7.231541      1.310244
  H      -1.721163     -3.382921      1.011529
  H      -3.148754     -4.055590      0.214610
  H      -1.410848     -5.213773      2.433924
  H      -2.010213     -6.026315      0.968493
  C      -3.936862     -1.976259      1.736740
  C      -3.047741     -0.995069      1.258403
  C      -3.487729      0.296895      0.985353
  C      -4.806223      0.623443      1.262854
  F      -5.219991      1.905287      1.095283
  C      -5.714940     -0.322098      1.740497
  C      -6.989777      0.042932      2.406294
  O      -8.031751     -0.585170      2.335515
  C      -6.847374      1.225680      3.388032
  O      -7.688314      2.092172      3.503622
  C      -5.575519      1.158618      4.247353
  O      -4.763804      0.267982      4.279049
  Cl     -5.426418      2.583255      5.329968
  C      -5.284478     -1.640415      1.904056
  C      -7.126077     -4.726220      4.045940
  C      -8.339552     -5.430464      4.169715
  C      -9.320324     -4.901909      5.034027
  C      -9.116230     -3.748964      5.796271
  F     -10.058238     -3.372725      6.690989
  C      -7.914508     -3.027937      5.678935
  C      -7.376282     -1.834952      6.417474
  O      -7.887773     -0.740992      6.457604
  C      -5.891846     -1.946439      6.984764
  O      -4.854920     -2.861651      7.216860
  C      -5.466237     -0.741350      7.897323
  O      -6.225365     -0.130272      8.585649
  Cl     -3.710862     -0.416131      7.972671
  C      -7.052738     -3.531463      4.735370
  C      -3.606106     -5.413434      6.566378
  C      -2.649245     -5.224235      7.580900
  C      -3.030036     -5.210081      8.921268
  C      -4.369760     -5.384423      9.246522
  F      -4.735287     -5.319387     10.548239
  C      -5.342364     -5.629841      8.267969
  C      -6.780877     -5.768845      8.530283
  O      -7.601918     -6.107573      7.684889
  C      -7.424210     -5.450104      9.921378
  O      -7.702788     -6.306512     10.736349
  C      -7.775440     -3.953741     10.069314
  O      -7.251895     -3.105853      9.397682
  Cl     -8.947136     -3.612064     11.345992
  C      -4.931833     -5.646841      6.928030
  H      -1.994854     -1.235531      1.108090
  H      -2.805642      1.062018      0.614757
  H      -5.997581     -2.388581      2.253584
  H      -8.533841     -6.379591      3.668561
  H     -10.260136     -5.437783      5.172323
  H      -6.096639     -3.133056      4.522686
  H      -1.603911     -5.053916      7.318460
  H      -2.303593     -5.037406      9.715007
  H      -5.686270     -5.817087      6.159921
  N      -4.531020     -2.740235      5.001746
  N      -4.988468     -1.929268      5.829996
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.262744508811
  N      -3.528817     -3.261604      2.118333
  C      -2.649977     -3.962912      1.189757
  C      -2.284891     -5.316188      1.769491
  N      -3.397724     -5.844053      2.588501
  C      -4.578201     -6.242169      1.784138
  C      -5.822127     -6.254758      2.658321
  N      -5.893805     -5.037877      3.447814
  Mo     -4.099484     -4.098948      3.849907
  N      -3.288321     -5.337651      5.194971
  C      -2.297940     -6.298525      4.704570
  C      -2.902024     -6.933212      3.463616
  H      -2.118152     -7.078920      5.460448
  H      -1.324375     -5.825942      4.492255
  H      -3.755432     -7.556812      3.758915
  H      -2.179132     -7.564495      2.919662
  H      -6.702736     -6.340427      1.997934
  H      -5.833298     -7.146595      3.315831
  H      -4.700965     -5.500730      0.984267
  H      -4.416210     -7.230566      1.319783
  H      -1.724338     -3.396053      0.997057
  H      -3.160345     -4.067275      0.214472
  H      -1.417191     -5.214381      2.436735
  H      -2.016557     -6.034652      0.975992
  C      -3.932781     -1.975807      1.727754
  C      -3.044647     -1.001484      1.233676
  C      -3.482872      0.289756      0.954142
  C      -4.798206      0.622739      1.239933
  F      -5.209493      1.904653      1.066429
  C      -5.706125     -0.315786      1.732047
  C      -6.976367      0.060123      2.401859
  O      -8.023094     -0.559829      2.333927
  C      -6.826563      1.244833      3.382123
  O      -7.664714      2.113719      3.498370
  C      -5.554075      1.173853      4.240430
  O      -4.746724      0.279702      4.264754
  Cl     -5.400554      2.592637      5.329494
  C      -5.278171     -1.634308      1.903677
  C      -7.124412     -4.720301      4.056908
  C      -8.333046     -5.431235      4.189079
  C      -9.312991     -4.905318      5.055440
  C      -9.111782     -3.747905      5.811202
  F     -10.050643     -3.373529      6.710028
  C      -7.915785     -3.019726      5.683174
  C      -7.375770     -1.823808      6.413701
  O      -7.881766     -0.727119      6.450880
  C      -5.893077     -1.941347      6.980800
  O      -4.866806     -2.853897      7.229739
  C      -5.479710     -0.742860      7.904797
  O      -6.235803     -0.165497      8.624901
  Cl     -3.730082     -0.377141      7.951051
  C      -7.054430     -3.520677      4.737825
  C      -3.602874     -5.398244      6.567247
  C      -2.651922     -5.200961      7.585451
  C      -3.038339     -5.195543      8.924276
  C      -4.377180     -5.386984      9.243379
  F      -4.748895     -5.331114     10.543824
  C      -5.343240     -5.639687      8.260294
  C      -6.780759     -5.796938      8.516784
  O      -7.594668     -6.144836      7.668351
  C      -7.431630     -5.495793      9.909035
  O      -7.708489     -6.361928     10.713800
  C      -7.795668     -4.003077     10.067167
  O      -7.297570     -3.149094      9.384331
  Cl     -8.944093     -3.676100     11.368498
  C      -4.927483     -5.646554      6.921955
  H      -1.993524     -1.246162      1.078131
  H      -2.801417      1.049878      0.572261
  H      -5.989922     -2.376696      2.267884
  H      -8.523104     -6.384427      3.694187
  H     -10.248465     -5.446754      5.201140
  H      -6.100632     -3.120123      4.519680
  H      -1.607939     -5.016760      7.327213
  H      -2.317369     -5.016632      9.721613
  H      -5.676954     -5.820083      6.149806
  N      -4.527867     -2.728416      4.998719
  N      -4.982825     -1.924953      5.823477
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.267628131291
  N      -3.523724     -3.259006      2.116064
  C      -2.655199     -3.969842      1.185751
  C      -2.291568     -5.320045      1.772342
  N      -3.404511     -5.843090      2.594243
  C      -4.586347     -6.241090      1.793468
  C      -5.825922     -6.250484      2.672049
  N      -5.893898     -5.030084      3.455887
  Mo     -4.096477     -4.092720      3.847953
  N      -3.279355     -5.320564      5.197014
  C      -2.296240     -6.288498      4.706829
  C      -2.909523     -6.928861      3.473492
  H      -2.113317     -7.064255      5.466678
  H      -1.322597     -5.820415      4.485269
  H      -3.764416     -7.546309      3.777243
  H      -2.192697     -7.567476      2.929957
  H      -6.709507     -6.339708      2.016088
  H      -5.834556     -7.139268      3.333740
  H      -4.710921     -5.499832      0.993683
  H      -4.427048     -7.229909      1.328958
  H      -1.728051     -3.408927      0.982773
  H      -3.172473     -4.078332      0.214566
  H      -1.423583     -5.215250      2.438719
  H      -2.023432     -6.042684      0.982553
  C      -3.928701     -1.975477      1.719986
  C      -3.041665     -1.007824      1.210943
  C      -3.478117      0.282904      0.925979
  C      -4.790264      0.622090      1.219958
  F      -5.199135      1.904159      1.041360
  C      -5.697411     -0.309835      1.725305
  C      -6.963735      0.076094      2.397894
  O      -8.014125     -0.537503      2.333759
  C      -6.807890      1.263123      3.376234
  O      -7.643487      2.134178      3.492026
  C      -5.534909      1.189299      4.233966
  O      -4.731250      0.292371      4.251471
  Cl     -5.378175      2.602767      5.328621
  C      -5.271819     -1.628461      1.904268
  C      -7.122706     -4.714632      4.068350
  C      -8.326578     -5.431870      4.209264
  C      -9.305414     -4.908263      5.077805
  C      -9.106736     -3.746408      5.826964
  F     -10.042329     -3.373444      6.729848
  C      -7.916372     -3.011522      5.688119
  C      -7.374435     -1.813064      6.411207
  O      -7.875196     -0.713830      6.446431
  C      -5.893248     -1.936299      6.978280
  O      -4.877449     -2.846134      7.243443
  C      -5.491886     -0.744817      7.912904
  O      -6.242745     -0.201430      8.664356
  Cl     -3.749225     -0.338821      7.930125
  C      -7.055782     -3.510244      4.740816
  C      -3.599439     -5.383914      6.568152
  C      -2.654557     -5.177844      7.589980
  C      -3.046352     -5.180747      8.927218
  C      -4.383925     -5.389850      9.240164
  F      -4.761809     -5.342705     10.539271
  C      -5.343088     -5.651253      8.252716
  C      -6.778959     -5.828252      8.503838
  O      -7.586423     -6.181674      7.651664
  C      -7.437308     -5.538504      9.895699
  O      -7.713437     -6.410818     10.693444
  C      -7.816750     -4.049107     10.056148
  O      -7.343937     -3.191859      9.359747
  Cl     -8.943598     -3.731884     11.378510
  C      -4.922469     -5.648137      6.915963
  H      -1.992357     -1.256665      1.050014
  H      -2.797365      1.038268      0.533537
  H      -5.982273     -2.365389      2.281774
  H      -8.512659     -6.389054      3.720717
  H     -10.236634     -5.454895      5.231027
  H      -6.104147     -3.107325      4.517005
  H      -1.612231     -4.979345      7.335824
  H      -2.331042     -4.994808      9.728037
  H      -5.666820     -5.826161      6.139968
  N      -4.524678     -2.716710      4.996095
  N      -4.976960     -1.920111      5.817899
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.272364885081
  N      -3.518587     -3.256716      2.113684
  C      -2.660562     -3.977050      1.181559
  C      -2.298380     -5.324288      1.774758
  N      -3.411327     -5.842397      2.599755
  C      -4.594554     -6.240448      1.802609
  C      -5.829956     -6.246381      2.685350
  N      -5.894060     -5.022512      3.463610
  Mo     -4.093601     -4.086941      3.845875
  N      -3.270418     -5.303886      5.198994
  C      -2.294748     -6.279014      4.709070
  C      -2.917027     -6.924768      3.483203
  H      -2.108990     -7.050313      5.472729
  H      -1.320938     -5.815663      4.478576
  H      -3.773345     -7.536088      3.795172
  H      -2.206176     -7.570570      2.940202
  H      -6.716403     -6.338843      2.033676
  H      -5.836342     -7.132170      3.351088
  H      -4.720805     -5.499571      1.002708
  H      -4.437907     -7.229811      1.338248
  H      -1.732008     -3.422195      0.968230
  H      -3.184897     -4.089484      0.214612
  H      -1.429964     -5.216669      2.440082
  H      -2.030751     -6.051072      0.988580
  C      -3.924340     -1.975330      1.712258
  C      -3.038524     -1.014365      1.188511
  C      -3.473227      0.275878      0.898321
  C      -4.782070      0.621327      1.200495
  F      -5.188413      1.903647      1.017301
  C      -5.688383     -0.304010      1.718794
  C      -6.950456      0.091713      2.394625
  O      -8.004575     -0.515311      2.334204
  C      -6.789139      1.282089      3.369955
  O      -7.622293      2.155269      3.484147
  C      -5.516501      1.205782      4.228692
  O      -4.716273      0.306441      4.240098
  Cl     -5.357827      2.614345      5.328334
  C      -5.265131     -1.622758      1.904649
  C      -7.120988     -4.708847      4.079407
  C      -8.320151     -5.432078      4.229230
  C      -9.297774     -4.910546      5.099895
  C      -9.101439     -3.744334      5.842368
  F     -10.033621     -3.372490      6.749288
  C      -7.916590     -3.003183      5.692711
  C      -7.372671     -1.802993      6.409136
  O      -7.868266     -0.701285      6.443623
  C      -5.892997     -1.932114      6.976552
  O      -4.887503     -2.840217      7.256986
  C      -5.503424     -0.748533      7.921803
  O      -6.247687     -0.238256      8.702578
  Cl     -3.769425     -0.300624      7.909632
  C      -7.056916     -3.499746      4.743410
  C      -3.596076     -5.369625      6.568946
  C      -2.657724     -5.153737      7.594500
  C      -3.055105     -5.163840      8.930024
  C      -4.391209     -5.390466      9.236581
  F      -4.775622     -5.350660     10.534124
  C      -5.342996     -5.661743      8.244750
  C      -6.776925     -5.858338      8.490272
  O      -7.577191     -6.221537      7.635560
  C      -7.442692     -5.581251      9.882065
  O      -7.715137     -6.459893     10.673525
  C      -7.838647     -4.095480     10.045708
  O      -7.393183     -3.234836      9.335836
  Cl     -8.942866     -3.789108     11.389446
  C      -4.917258     -5.650054      6.909738
  H      -1.991108     -1.267418      1.022079
  H      -2.793255      1.026477      0.495519
  H      -5.974274     -2.354305      2.294805
  H      -8.502351     -6.393209      3.747129
  H     -10.224787     -5.462113      5.260651
  H      -6.107493     -3.094581      4.513927
  H      -1.617287     -4.940759      7.344502
  H      -2.345846     -4.969891      9.734316
  H      -5.656156     -5.833618      6.129907
  N      -4.521041     -2.705577      4.993288
  N      -4.970778     -1.915347      5.812843
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.277010066360
  N      -3.513763     -3.254786      2.111508
  C      -2.666606     -3.984397      1.177192
  C      -2.305701     -5.328775      1.776559
  N      -3.418384     -5.841915      2.605086
  C      -4.603227     -6.240283      1.811867
  C      -5.834442     -6.242602      2.698974
  N      -5.894367     -5.015253      3.471765
  Mo     -4.090917     -4.081597      3.844018
  N      -3.261085     -5.287504      5.200932
  C      -2.293007     -6.269884      4.711072
  C      -2.924399     -6.920877      3.492680
  H      -2.104365     -7.036817      5.478381
  H      -1.319098     -5.811342      4.471624
  H      -3.781948     -7.526126      3.812946
  H      -2.219563     -7.573699      2.950126
  H      -6.723840     -6.338070      2.051737
  H      -5.838593     -7.125430      3.368663
  H      -4.731319     -5.499993      1.011691
  H      -4.449226     -7.230283      1.347883
  H      -1.736829     -3.435652      0.953297
  H      -3.198372     -4.100501      0.214741
  H      -1.436564     -5.218493      2.440459
  H      -2.039010     -6.059591      0.993778
  C      -3.920145     -1.975346      1.705229
  C      -3.035586     -1.021110      1.167117
  C      -3.468302      0.268879      0.872472
  C      -4.773655      0.620714      1.182980
  F      -5.177370      1.903363      0.995520
  C      -5.679244     -0.298128      1.713530
  C      -6.937624      0.107088      2.391392
  O      -7.994479     -0.495095      2.336145
  C      -6.771591      1.300805      3.363766
  O      -7.601672      2.176749      3.474904
  C      -5.498788      1.222973      4.223094
  O      -4.701763      0.321495      4.228633
  Cl     -5.338148      2.627371      5.326447
  C      -5.258470     -1.617035      1.905804
  C      -7.119122     -4.702993      4.091432
  C      -8.313515     -5.431966      4.250890
  C      -9.289521     -4.912186      5.123945
  C      -9.095229     -3.741412      5.859273
  F     -10.023657     -3.370247      6.770382
  C      -7.916039     -2.994172      5.698116
  C      -7.370040     -1.792276      6.407884
  O      -7.860650     -0.688195      6.441935
  C      -5.891741     -1.927136      6.975693
  O      -4.896811     -2.833407      7.271222
  C      -5.513623     -0.751643      7.930775
  O      -6.250044     -0.273445      8.738954
  Cl     -3.788984     -0.263914      7.891692
  C      -7.057637     -3.489066      4.746690
  C      -3.592477     -5.355530      6.569666
  C      -2.661259     -5.128448      7.599054
  C      -3.064373     -5.145351      8.932724
  C      -4.398558     -5.390642      9.232657
  F      -4.789805     -5.357602     10.528452
  C      -5.342194     -5.673729      8.236436
  C      -6.773545     -5.891683      8.476373
  O      -7.566204     -6.265105      7.619120
  C      -7.447028     -5.624198      9.867055
  O      -7.716156     -6.507287     10.653998
  C      -7.862378     -4.142394     10.028897
  O      -7.444741     -3.280168      9.304317
  Cl     -8.946570     -3.844380     11.390594
  C      -4.911274     -5.653739      6.903237
  H      -1.990194     -1.278543      0.994927
  H      -2.789110      1.014702      0.459608
  H      -5.966462     -2.343329      2.307624
  H      -8.492018     -6.397118      3.775591
  H     -10.212246     -5.468490      5.292725
  H      -6.110401     -3.081527      4.511167
  H      -1.623107     -4.900097      7.353305
  H      -2.361705     -4.942174      9.740509
  H      -5.644204     -5.844468      6.119581
  N      -4.517163     -2.694167      4.990679
  N      -4.964113     -1.909614      5.808224
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.281575277900
  N      -3.508943     -3.253031      2.109245
  C      -2.672884     -3.991972      1.172696
  C      -2.313171     -5.333567      1.778065
  N      -3.425478     -5.841653      2.610302
  C      -4.611955     -6.240478      1.821066
  C      -5.839037     -6.239044      2.712384
  N      -5.894648     -5.008252      3.479737
  Mo     -4.088322     -4.076584      3.842061
  N      -3.251548     -5.271292      5.202674
  C      -2.291338     -6.261122      4.712950
  C      -2.931833     -6.917176      3.502079
  H      -2.100007     -7.023772      5.483828
  H      -1.317286     -5.807626      4.464686
  H      -3.790606     -7.516207      3.830607
  H      -2.233076     -7.577034      2.960069
  H      -6.731333     -6.337319      2.069536
  H      -5.841091     -7.118952      3.385923
  H      -4.741825     -5.500889      1.020502
  H      -4.460539     -7.231180      1.357648
  H      -1.742013     -3.449459      0.938092
  H      -3.212278     -4.111629      0.214924
  H      -1.443191     -5.220712      2.440374
  H      -2.047652     -6.068392      0.998614
  C      -3.915887     -1.975516      1.698149
  C      -3.032798     -1.028092      1.145625
  C      -3.463644      0.261592      0.846470
  C      -4.765362      0.619862      1.165472
  F      -5.166381      1.902927      0.974249
  C      -5.669997     -0.292428      1.708438
  C      -6.923816      0.122234      2.389631
  O      -7.983911     -0.474122      2.339542
  C      -6.752940      1.320927      3.357047
  O      -7.580686      2.198818      3.465070
  C      -5.481042      1.241544      4.218921
  O      -4.687043      0.338182      4.219355
  Cl     -5.319760      2.642092      5.325517
  C      -5.251630     -1.611454      1.906852
  C      -7.117147     -4.697236      4.103318
  C      -8.306571     -5.431986      4.272713
  C      -9.280914     -4.913991      5.148185
  C      -9.088755     -3.738631      5.876189
  F     -10.013312     -3.368079      6.791513
  C      -7.915392     -2.985328      5.703327
  C      -7.367423     -1.782272      6.407148
  O      -7.853201     -0.675915      6.441625
  C      -5.890642     -1.923203      6.975751
  O      -4.906359     -2.828621      7.285743
  C      -5.523911     -0.756590      7.940996
  O      -6.252345     -0.309180      8.773823
  Cl     -3.809837     -0.228777      7.876941
  C      -7.058296     -3.478423      4.749705
  C      -3.588877     -5.341517      6.570133
  C      -2.665458     -5.102012      7.603480
  C      -3.074636     -5.124956      8.935175
  C      -4.406635     -5.389154      9.228284
  F      -4.805066     -5.361868     10.522120
  C      -5.341494     -5.685242      8.227652
  C      -6.770018     -5.924708      8.461585
  O      -7.553963     -6.311150      7.602226
  C      -7.451961     -5.666548      9.850629
  O      -7.716837     -6.553567     10.633891
  C      -7.885342     -4.188658     10.010939
  O      -7.495326     -3.325975      9.272016
  Cl     -8.948370     -3.897490     11.390609
  C      -4.904933     -5.658069      6.896456
  H      -1.989521     -1.289946      0.967507
  H      -2.785388      1.002593      0.423509
  H      -5.958331     -2.332496      2.320177
  H      -8.481223     -6.401179      3.804364
  H     -10.199200     -5.475052      5.325123
  H      -6.113297     -3.068485      4.508103
  H      -1.629921     -4.857830      7.362097
  H      -2.379084     -4.911577      9.746474
  H      -5.631443     -5.856957      6.108934
  N      -4.512792     -2.683338      4.988195
  N      -4.957186     -1.904096      5.804363
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.286100345145
  N      -3.504319     -3.251454      2.107361
  C      -2.679480     -3.999372      1.168313
  C      -2.320824     -5.338361      1.779164
  N      -3.432676     -5.841560      2.615160
  C      -4.620815     -6.240994      1.829864
  C      -5.843855     -6.235965      2.725432
  N      -5.895093     -5.001839      3.487640
  Mo     -4.086111     -4.072129      3.840212
  N      -3.241957     -5.255518      5.204162
  C      -2.289809     -6.252964      4.714503
  C      -2.939297     -6.913779      3.510997
  H      -2.095921     -7.011470      5.488793
  H      -1.315617     -5.804628      4.457624
  H      -3.799229     -7.506575      3.847634
  H      -2.246610     -7.580532      2.969534
  H      -6.739050     -6.336821      2.087004
  H      -5.843816     -7.113090      3.402600
  H      -4.752551     -5.502116      1.028922
  H      -4.471817     -7.232359      1.367017
  H      -1.747680     -3.463067      0.923075
  H      -3.226648     -4.122204      0.215355
  H      -1.449904     -5.223123      2.439764
  H      -2.056625     -6.076938      1.002788
  C      -3.911694     -1.975651      1.692007
  C      -3.029988     -1.035029      1.125624
  C      -3.458539      0.254649      0.822784
  C      -4.756438      0.619541      1.150218
  F      -5.154643      1.903060      0.955267
  C      -5.660391     -0.286294      1.704652
  C      -6.910663      0.137571      2.387112
  O      -7.972644     -0.455365      2.344036
  C      -6.735772      1.340409      3.350694
  O      -7.559533      2.221900      3.453389
  C      -5.463511      1.260506      4.213652
  O      -4.672565      0.355273      4.208848
  Cl     -5.300711      2.657908      5.322147
  C      -5.244718     -1.605559      1.908824
  C      -7.115194     -4.691956      4.115533
  C      -8.299355     -5.432578      4.295403
  C      -9.271914     -4.916252      5.173382
  C      -9.082048     -3.735985      5.893573
  F     -10.002682     -3.365785      6.813033
  C      -7.914880     -2.976443      5.708480
  C      -7.365094     -1.771794      6.406198
  O      -7.846254     -0.663252      6.440666
  C      -5.889878     -1.918550      6.975989
  O      -4.916903     -2.822847      7.301025
  C      -5.534456     -0.760538      7.950620
  O      -6.254682     -0.342591      8.805760
  Cl     -3.831019     -0.195377      7.865295
  C      -7.059136     -3.468090      4.752722
  C      -3.585392     -5.328024      6.570333
  C      -2.670173     -5.075193      7.607559
  C      -3.085287     -5.103965      8.937250
  C      -4.414668     -5.387508      9.223665
  F      -4.820195     -5.365569     10.515479
  C      -5.340404     -5.697374      8.218823
  C      -6.765721     -5.958526      8.447005
  O      -7.540722     -6.357885      7.585561
  C      -7.455897     -5.708307      9.833999
  O      -7.718070     -6.598712     10.613614
  C      -7.906965     -4.234460      9.991506
  O      -7.543490     -3.372471      9.238763
  Cl     -8.950555     -3.948519     11.386993
  C      -4.898251     -5.663536      6.889632
  H      -1.988947     -1.301506      0.941510
  H      -2.781099      0.990789      0.390141
  H      -5.950430     -2.321462      2.332583
  H      -8.469980     -6.405925      3.834340
  H     -10.185540     -5.482106      5.358849
  H      -6.116413     -3.055545      4.504881
  H      -1.637637     -4.814814      7.370425
  H      -2.397131     -4.879806      9.751932
  H      -5.618144     -5.871255      6.098393
  N      -4.508757     -2.672634      4.985885
  N      -4.950483     -1.897999      5.800444
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.290573178851
  N      -3.499435     -3.249962      2.105322
  C      -2.685716     -4.007055      1.164138
  C      -2.328286     -5.343469      1.780586
  N      -3.439906     -5.841568      2.620113
  C      -4.629451     -6.241702      1.838419
  C      -5.848726     -6.232880      2.737688
  N      -5.895611     -4.995418      3.494661
  Mo     -4.084246     -4.067734      3.838085
  N      -3.232914     -5.239568      5.205490
  C      -2.289100     -6.245004      4.716386
  C      -2.947324     -6.910451      3.520241
  H      -2.093128     -6.999355      5.494169
  H      -1.314612     -5.802188      4.451233
  H      -3.808635     -7.496620      3.864790
  H      -2.260746     -7.584318      2.979713
  H      -6.746591     -6.336124      2.103381
  H      -5.846988     -7.107202      3.418468
  H      -4.762718     -5.503651      1.036941
  H      -4.482692     -7.233804      1.376382
  H      -1.753017     -3.477126      0.908429
  H      -3.240500     -4.133031      0.215993
  H      -1.456557     -5.225892      2.439634
  H      -2.065358     -6.085850      1.007382
  C      -3.907086     -1.975988      1.685344
  C      -3.026917     -1.042392      1.104892
  C      -3.453375      0.247037      0.797589
  C      -4.747393      0.618628      1.133279
  F      -5.142678      1.902657      0.934851
  C      -5.650359     -0.280513      1.699788
  C      -6.895537      0.152813      2.385783
  O      -7.960636     -0.434369      2.349186
  C      -6.715883      1.362576      3.341837
  O      -7.537436      2.245764      3.440174
  C      -5.445352      1.281606      4.209281
  O      -4.657250      0.374719      4.200675
  Cl     -5.283181      2.676161      5.319349
  C      -5.237293     -1.599864      1.909865
  C      -7.113467     -4.686423      4.126313
  C      -8.292119     -5.433067      4.316515
  C      -9.263435     -4.918268      5.196260
  C      -9.076442     -3.732932      5.908333
  F      -9.993792     -3.362736      6.831082
  C      -7.915458     -2.967281      5.711585
  C      -7.364218     -1.761471      6.404119
  O      -7.840866     -0.650809      6.438910
  C      -5.891131     -1.914573      6.976250
  O      -4.930012     -2.818990      7.316230
  C      -5.547418     -0.765836      7.960945
  O      -6.260085     -0.376297      8.835739
  Cl     -3.854930     -0.164632      7.858402
  C      -7.060590     -3.457337      4.754047
  C      -3.582436     -5.314102      6.570395
  C      -2.675518     -5.047412      7.611212
  C      -3.096206     -5.081766      8.939023
  C      -4.422570     -5.384818      9.219297
  F      -4.834635     -5.368259     10.509192
  C      -5.339302     -5.708528      8.210648
  C      -6.761143     -5.991591      8.433425
  O      -7.526882     -6.403501      7.569725
  C      -7.459236     -5.751947      9.818867
  O      -7.719089     -6.647325     10.592877
  C      -7.924066     -4.282010      9.978855
  O      -7.585603     -3.419917      9.215399
  Cl     -8.946598     -4.002771     11.391253
  C      -4.891789     -5.668309      6.883413
  H      -1.988169     -1.313542      0.914877
  H      -2.776888      0.978151      0.355054
  H      -5.941831     -2.310433      2.344353
  H      -8.458243     -6.410634      3.862910
  H     -10.172374     -5.488878      5.389896
  H      -6.120068     -3.042148      4.500316
  H      -1.646305     -4.770973      7.377984
  H      -2.415424     -4.846677      9.756804
  H      -5.605179     -5.885006      6.088749
  N      -4.504780     -2.662305      4.983621
  N      -4.944428     -1.891797      5.797007
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.295009877733
  N      -3.494856     -3.248639      2.103926
  C      -2.692045     -4.014313      1.160432
  C      -2.335807     -5.348389      1.781835
  N      -3.447255     -5.841707      2.624676
  C      -4.638099     -6.242729      1.846293
  C      -5.853900     -6.230398      2.749127
  N      -5.896585     -4.989775      3.501285
  Mo     -4.083171     -4.064051      3.836139
  N      -3.224335     -5.224213      5.206654
  C      -2.288817     -6.237644      4.718100
  C      -2.955463     -6.907415      3.529015
  H      -2.090892     -6.987984      5.499219
  H      -1.314063     -5.800302      4.445011
  H      -3.818124     -7.486961      3.881215
  H      -2.274883     -7.588209      2.989498
  H      -6.754327     -6.335761      2.118802
  H      -5.850580     -7.102109      3.433233
  H      -4.772912     -5.505499      1.044292
  H      -4.493257     -7.235500      1.385047
  H      -1.758572     -3.490612      0.894707
  H      -3.254306     -4.142919      0.217046
  H      -1.463300     -5.228721      2.439399
  H      -2.074120     -6.094198      1.011490
  C      -3.902531     -1.976175      1.680028
  C      -3.023580     -1.049564      1.086390
  C      -3.447186      0.240052      0.775630
  C      -4.737120      0.618675      1.119305
  F      -5.129281      1.903221      0.917068
  C      -5.639678     -0.273856      1.696517
  C      -6.881509      0.168730      2.382690
  O      -7.947658     -0.416428      2.355301
  C      -6.698050      1.383234      3.334129
  O      -7.514115      2.271364      3.424677
  C      -5.426695      1.302415      4.202760
  O      -4.641863      0.393524      4.189719
  Cl     -5.262850      2.694767      5.312981
  C      -5.229782     -1.593556      1.912136
  C      -7.112248     -4.681503      4.136798
  C      -8.285173     -5.434174      4.337611
  C      -9.255546     -4.920385      5.218567
  C      -9.071870     -3.729474      5.921817
  F      -9.986718     -3.358401      6.846712
  C      -7.917110     -2.957883      5.713527
  C      -7.364568     -1.750245      6.400636
  O      -7.836750     -0.637464      6.434720
  C      -5.893811     -1.909446      6.975877
  O      -4.945733     -2.813571      7.332012
  C      -5.561526     -0.769100      7.969481
  O      -6.266898     -0.406321      8.861653
  Cl     -3.879714     -0.134294      7.852547
  C      -7.062880     -3.447056      4.754684
  C      -3.579874     -5.300750      6.570311
  C      -2.681336     -5.019534      7.614387
  C      -3.107013     -5.059344      8.940412
  C      -4.429784     -5.382329      9.215018
  F      -4.847935     -5.371070     10.503087
  C      -5.337448     -5.720379      8.202996
  C      -6.755245     -6.025606      8.421261
  O      -7.511829     -6.450226      7.555748
  C      -7.460083     -5.795899      9.805594
  O      -7.718341     -6.696391     10.573664
  C      -7.938351     -4.329994      9.968084
  O      -7.624751     -3.468070      9.194464
  Cl     -8.939849     -4.057002     11.396868
  C      -4.885171     -5.674038      6.877551
  H      -1.987253     -1.325705      0.890558
  H      -2.771331      0.966038      0.323791
  H      -5.933711     -2.298865      2.356026
  H      -8.446530     -6.416111      3.891901
  H     -10.159827     -5.495532      5.420318
  H      -6.124595     -3.029127      4.495170
  H      -1.655885     -4.726792      7.384643
  H      -2.433642     -4.812892      9.760968
  H      -5.592216     -5.899942      6.079802
  N      -4.501946     -2.652515      4.981500
  N      -4.939298     -1.885245      5.792884
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.299364605077
  N      -3.490105     -3.247590      2.102163
  C      -2.698015     -4.022157      1.156920
  C      -2.343263     -5.353836      1.783614
  N      -3.454751     -5.841928      2.629668
  C      -4.646673     -6.244023      1.854379
  C      -5.859315     -6.227654      2.760169
  N      -5.897718     -4.983755      3.507200
  Mo     -4.082474     -4.060150      3.833950
  N      -3.216361     -5.208325      5.207800
  C      -2.289239     -6.230001      4.720437
  C      -2.964176     -6.904231      3.538615
  H      -2.089710     -6.976159      5.505104
  H      -1.314130     -5.798418      4.439600
  H      -3.828362     -7.476689      3.898493
  H      -2.289678     -7.592257      3.000561
  H      -6.762056     -6.334932      2.133480
  H      -5.854961     -7.096619      3.447733
  H      -4.782624     -5.507935      1.051494
  H      -4.503651     -7.237670      1.394428
  H      -1.763749     -3.504894      0.881382
  H      -3.267487     -4.153488      0.218231
  H      -1.470071     -5.232082      2.439802
  H      -2.082869     -6.103291      1.016347
  C      -3.897607     -1.976838      1.673697
  C      -3.020103     -1.057613      1.066312
  C      -3.441252      0.231781      0.750865
  C      -4.727033      0.617549      1.102471
  F      -5.115917      1.902670      0.896699
  C      -5.628667     -0.267962      1.691620
  C      -6.864655      0.184361      2.381808
  O      -7.933948     -0.394827      2.362404
  C      -6.675901      1.407565      3.323024
  O      -7.489652      2.297362      3.408255
  C      -5.406948      1.325874      4.197709
  O      -4.624973      0.415318      4.182242
  Cl     -5.244473      2.716303      5.307999
  C      -5.221777     -1.587752      1.913025
  C      -7.111364     -4.675669      4.145767
  C      -8.278510     -5.434251      4.357004
  C      -9.248549     -4.921109      5.238196
  C      -9.068686     -3.724480      5.932191
  F      -9.981722     -3.352026      6.858282
  C      -7.919879     -2.947403      5.713118
  C      -7.366342     -1.738783      6.396042
  O      -7.834112     -0.623953      6.430120
  C      -5.898643     -1.904953      6.975581
  O      -4.964303     -2.810334      7.347315
  C      -5.578098     -0.773899      7.979016
  O      -6.277111     -0.437184      8.886355
  Cl     -3.906480     -0.107912      7.852367
  C      -7.065731     -3.435742      4.753482
  C      -3.577875     -5.286300      6.570230
  C      -2.687913     -4.989854      7.617283
  C      -3.118220     -5.034962      8.941631
  C      -4.436799     -5.378684      9.211039
  F      -4.860529     -5.373145     10.497401
  C      -5.335251     -5.731624      8.195981
  C      -6.748266     -6.060753      8.410204
  O      -7.495230     -6.498002      7.542732
  C      -7.459302     -5.843407      9.794029
  O      -7.715414     -6.750388     10.554672
  C      -7.948824     -4.381650      9.963184
  O      -7.660356     -3.518957      9.181371
  Cl     -8.926835     -4.116615     11.409909
  C      -4.878664     -5.678849      6.872242
  H      -1.986276     -1.338822      0.864680
  H      -2.766274      0.952383      0.289213
  H      -5.924725     -2.287425      2.367199
  H      -8.434726     -6.420636      3.919483
  H     -10.148293     -5.500570      5.447636
  H      -6.129509     -3.015103      4.488571
  H      -1.666628     -4.680671      7.390690
  H      -2.452373     -4.776760      9.764700
  H      -5.579418     -5.914281      6.071696
  N      -4.499042     -2.642865      4.979514
  N      -4.934744     -1.878355      5.789592
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.303665231483
  N      -3.485835     -3.246755      2.101068
  C      -2.704087     -4.029432      1.153864
  C      -2.350746     -5.359006      1.785078
  N      -3.462269     -5.842280      2.634161
  C      -4.655201     -6.245636      1.861703
  C      -5.865004     -6.225594      2.770355
  N      -5.899343     -4.978672      3.512853
  Mo     -4.082617     -4.057052      3.831999
  N      -3.208808     -5.193190      5.208749
  C      -2.289928     -6.223000      4.722524
  C      -2.972736     -6.901360      3.547550
  H      -2.088925     -6.965169      5.510542
  H      -1.314506     -5.797026      4.434370
  H      -3.838324     -7.466931      3.914755
  H      -2.304092     -7.596260      3.010960
  H      -6.769956     -6.334457      2.147140
  H      -5.859710     -7.092099      3.460972
  H      -4.792338     -5.510680      1.057955
  H      -4.513669     -7.240084      1.403010
  H      -1.769150     -3.518330      0.869124
  H      -3.280526     -4.162904      0.219726
  H      -1.476859     -5.235472      2.439920
  H      -2.091657     -6.111671      1.020497
  C      -3.892888     -1.977312      1.668878
  C      -3.016447     -1.065375      1.048757
  C      -3.434206      0.224354      0.729901
  C      -4.715576      0.617661      1.089224
  F      -5.100939      1.903356      0.879517
  C      -5.616996     -0.260956      1.688719
  C      -6.849365      0.200775      2.378884
  O      -7.919237     -0.377038      2.370691
  C      -6.656428      1.429552      3.314071
  O      -7.463594      2.325138      3.389875
  C      -5.386428      1.348322      4.190164
  O      -4.607906      0.435610      4.171205
  Cl     -5.222084      2.737333      5.299251
  C      -5.213809     -1.581199      1.915421
  C      -7.111000     -4.670640      4.154732
  C      -8.272209     -5.435026      4.376793
  C      -9.241970     -4.922108      5.258014
  C      -9.066227     -3.719297      5.942044
  F      -9.977871     -3.344821      6.868657
  C      -7.923543     -2.936803      5.711893
  C      -7.369096     -1.726436      6.390257
  O      -7.832543     -0.609580      6.423453
  C      -5.904553     -1.899296      6.974558
  O      -4.985234     -2.805369      7.362899
  C      -5.594982     -0.776349      7.986398
  O      -6.288011     -0.463974      8.907045
  Cl     -3.933520     -0.080492      7.850899
  C      -7.069345     -3.425173      4.751893
  C      -3.576312     -5.272492      6.569948
  C      -2.695195     -4.960173      7.619758
  C      -3.129759     -5.010268      8.942464
  C      -4.443614     -5.374893      9.206941
  F      -4.872756     -5.374685     10.491619
  C      -5.332602     -5.743171      8.189133
  C      -6.740216     -6.096392      8.399956
  O      -7.477267     -6.547494      7.531203
  C      -7.456279     -5.890905      9.783873
  O      -7.709685     -6.804390     10.537288
  C      -7.957875     -4.433650      9.959345
  O      -7.696256     -3.570578      9.169002
  Cl     -8.910826     -4.176172     11.424429
  C      -4.872114     -5.684482      6.866993
  H      -1.985279     -1.352015      0.841357
  H      -2.759712      0.939471      0.259110
  H      -5.916456     -2.275311      2.378445
  H      -8.423117     -6.425986      3.947950
  H     -10.137148     -5.505698      5.475337
  H      -6.135316     -3.001745      4.481593
  H      -1.678495     -4.634362      7.396013
  H      -2.471625     -4.739840      9.767800
  H      -5.566725     -5.929453      6.063945
  N      -4.497455     -2.634011      4.977598
  N      -4.930977     -1.871388      5.785347
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.307883483535
  N      -3.481343     -3.246203      2.099570
  C      -2.709547     -4.037240      1.151056
  C      -2.358007     -5.364685      1.787115
  N      -3.469877     -5.842683      2.638996
  C      -4.663543     -6.247370      1.869016
  C      -5.870905     -6.223168      2.779827
  N      -5.901131     -4.973176      3.517596
  Mo     -4.083190     -4.053702      3.829729
  N      -3.202146     -5.177612      5.209613
  C      -2.291635     -6.215888      4.725290
  C      -2.981940     -6.898400      3.557159
  H      -2.089737     -6.953953      5.516877
  H      -1.315705     -5.795875      4.430252
  H      -3.849121     -7.456767      3.931422
  H      -2.319087     -7.600358      3.022518
  H      -6.777770     -6.333326      2.159640
  H      -5.865300     -7.087148      3.473538
  H      -4.801357     -5.513810      1.064081
  H      -4.523415     -7.242800      1.412030
  H      -1.773857     -3.532471      0.857527
  H      -3.292506     -4.172900      0.221277
  H      -1.483573     -5.239444      2.440806
  H      -2.100238     -6.120756      1.025433
  C      -3.887649     -1.978273      1.662983
  C      -3.012418     -1.074057      1.029670
  C      -3.427092      0.215635      0.706265
  C      -4.703990      0.616644      1.073158
  F      -5.085600      1.902977      0.859733
  C      -5.604770     -0.254655      1.684089
  C      -6.831206      0.216942      2.377713
  O      -7.903724     -0.355548      2.379128
  C      -6.632778      1.455049      3.301200
  O      -7.436706      2.353089      3.370132
  C      -5.365145      1.373319      4.183634
  O      -4.589403      0.458947      4.163226
  Cl     -5.202263      2.761142      5.291633
  C      -5.205186     -1.575092      1.916315
  C      -7.110971     -4.664687      4.161988
  C      -8.266191     -5.434784      4.394634
  C      -9.236198     -4.921917      5.275097
  C      -9.065067     -3.712844      5.948786
  F      -9.975851     -3.336089      6.875233
  C      -7.928406     -2.925142      5.708095
  C      -7.373442     -1.713738      6.383086
  O      -7.832791     -0.595008      6.416153
  C      -5.912814     -1.893984      6.973241
  O      -5.009302     -2.802125      7.377592
  C      -5.614633     -0.779840      7.994253
  O      -6.302387     -0.491330      8.926612
  Cl     -3.962509     -0.056752      7.854178
  C      -7.073551     -3.413554      4.748242
  C      -3.575522     -5.257554      6.569651
  C      -2.703172     -4.929174      7.621787
  C      -3.141436     -4.984153      8.943080
  C      -4.450045     -5.369996      9.203391
  F      -4.883740     -5.375600     10.486640
  C      -5.329842     -5.753452      8.183303
  C      -6.731364     -6.132172      8.391237
  O      -7.458547     -6.595178      7.520563
  C      -7.451434     -5.942334      9.776170
  O      -7.702229     -6.864466     10.519494
  C      -7.962848     -4.489977      9.963789
  O      -7.728345     -3.624751      9.168026
  Cl     -8.888456     -4.243576     11.448618
  C      -4.866104     -5.688440      6.862609
  H      -1.983994     -1.366242      0.816593
  H      -2.753256      0.924994      0.225927
  H      -5.907225     -2.263219      2.389011
  H      -8.411401     -6.430344      3.974693
  H     -10.126876     -5.509498      5.499955
  H      -6.141537     -2.987263      4.472893
  H      -1.691337     -4.587112      7.400407
  H      -2.490844     -4.701605      9.770322
  H      -5.554957     -5.942837      6.057530
  N      -4.495952     -2.625097      4.975623
  N      -4.927922     -1.863831      5.781671
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.312057564461
  N      -3.477139     -3.245826      2.098623
  C      -2.714725     -4.044320      1.148606
  C      -2.364972     -5.369991      1.788646
  N      -3.477245     -5.843225      2.642997
  C      -4.671539     -6.249294      1.875123
  C      -5.876825     -6.221436      2.787935
  N      -5.903225     -4.968755      3.521757
  Mo     -4.084462     -4.051283      3.827505
  N      -3.195882     -5.163133      5.210021
  C      -2.293567     -6.209724      4.727570
  C      -2.990727     -6.895886      3.565612
  H      -2.091075     -6.944008      5.522464
  H      -1.317076     -5.795495      4.426339
  H      -3.859349     -7.447548      3.946261
  H      -2.333240     -7.604320      3.032842
  H      -6.785467     -6.332478      2.170531
  H      -5.871030     -7.083295      3.484207
  H      -4.810026     -5.516999      1.069122
  H      -4.532481     -7.245571      1.419667
  H      -1.778353     -3.545524      0.847072
  H      -3.303814     -4.181528      0.222914
  H      -1.490036     -5.243423      2.441314
  H      -2.108469     -6.128959      1.029406
  C      -3.882490     -1.979042      1.658427
  C      -3.008214     -1.082345      1.012861
  C      -3.419137      0.207775      0.686060
  C      -4.691374      0.616684      1.060362
  F      -5.069055      1.903682      0.843170
  C      -5.592042     -0.247538      1.681339
  C      -6.814328      0.233366      2.375427
  O      -7.887379     -0.337501      2.388937
  C      -6.611506      1.478281      3.290637
  O      -7.408937      2.381773      3.349553
  C      -5.343519      1.397128      4.175744
  O      -4.570832      0.480906      4.152905
  Cl     -5.179941      2.783829      5.282185
  C      -5.196524     -1.568450      1.918496
  C      -7.111242     -4.659886      4.168986
  C      -8.260209     -5.435772      4.412570
  C      -9.230390     -4.923043      5.292443
  C      -9.064123     -3.707555      5.955463
  F      -9.973976     -3.328581      6.881844
  C      -7.933957     -2.914368      5.703722
  C      -7.378696     -1.701459      6.375447
  O      -7.834233     -0.580990      6.408242
  C      -5.922049     -1.888940      6.971655
  O      -5.035545     -2.798717      7.392442
  C      -5.634433     -0.782804      8.000896
  O      -6.317011     -0.517198      8.943898
  Cl     -3.991868     -0.032898      7.856202
  C      -7.078368     -3.403173      4.744158
  C      -3.575248     -5.243523      6.568862
  C      -2.711881     -4.898852      7.623160
  C      -3.153553     -4.958115      8.943057
  C      -4.456656     -5.364309      9.199407
  F      -4.894848     -5.374912     10.481237
  C      -5.327271     -5.762622      8.177276
  C      -6.722452     -6.165452      8.382917
  O      -7.440041     -6.640657      7.511002
  C      -7.444969     -5.990637      9.769763
  O      -7.691874     -6.921293     10.503541
  C      -7.967327     -4.543575      9.969137
  O      -7.762826     -3.676769      9.167246
  Cl     -8.861991     -4.307518     11.475002
  C      -4.860464     -5.692568      6.857927
  H      -1.982656     -1.380274      0.794122
  H      -2.745678      0.911400      0.196845
  H      -5.898474     -2.250726      2.399652
  H      -8.399456     -6.435944      4.001774
  H     -10.116334     -5.514692      5.525158
  H      -6.148621     -2.973736      4.463720
  H      -1.705130     -4.540898      7.403879
  H      -2.510565     -4.663353      9.771974
  H      -5.543877     -5.956035      6.051126
  N      -4.495608     -2.617384      4.973667
  N      -4.925459     -1.856983      5.777357
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.316164398954
  N      -3.472791     -3.245649      2.097593
  C      -2.719220     -4.051557      1.146558
  C      -2.371621     -5.375561      1.790619
  N      -3.484604     -5.843777      2.647119
  C      -4.679269     -6.251236      1.880962
  C      -5.882877     -6.219469      2.795176
  N      -5.905494     -4.964147      3.525058
  Mo     -4.086238     -4.048820      3.825110
  N      -3.190578     -5.148691      5.210296
  C      -2.296473     -6.203764      4.730323
  C      -2.999950     -6.893419      3.574295
  H      -2.093969     -6.934281      5.528628
  H      -1.319219     -5.795532      4.423484
  H      -3.870133     -7.438404      3.960811
  H      -2.347588     -7.608237      3.043718
  H      -6.793023     -6.331095      2.180120
  H      -5.877417     -7.079240      3.493947
  H      -4.818005     -5.520351      1.073692
  H      -4.541162     -7.248456      1.427313
  H      -1.782062     -3.558760      0.837627
  H      -3.313912     -4.190171      0.224653
  H      -1.496333     -5.247867      2.442502
  H      -2.116373     -6.137448      1.033872
  C      -3.876900     -1.980098      1.653410
  C      -3.003642     -1.091187      0.995472
  C      -3.410943      0.199144      0.664606
  C      -4.678467      0.616077      1.046056
  F      -5.052018      1.903767      0.825165
  C      -5.578803     -0.240805      1.677580
  C      -6.795623      0.249593      2.374010
  O      -7.870414     -0.317280      2.398467
  C      -6.587836      1.503684      3.277035
  O      -7.381091      2.410387      3.327493
  C      -5.321795      1.422780      4.168037
  O      -4.551314      0.505307      4.144158
  Cl     -5.160180      2.808523      5.273102
  C      -5.187335     -1.562022      1.919765
  C      -7.111800     -4.654545      4.174591
  C      -8.254379     -5.436218      4.428960
  C      -9.225084     -4.923617      5.307781
  C      -9.064069     -3.701704      5.959909
  F      -9.973241     -3.320481      6.885923
  C      -7.940534     -2.903008      5.697340
  C      -7.385406     -1.688888      6.366646
  O      -7.837571     -0.566913      6.399736
  C      -5.933338     -1.883829      6.969677
  O      -5.064679     -2.796144      7.406502
  C      -5.656497     -0.785817      8.007367
  O      -6.334085     -0.542381      8.959925
  Cl     -4.022995     -0.010849      7.860419
  C      -7.083737     -3.392174      4.738409
  C      -3.575695     -5.229035      6.568050
  C      -2.720957     -4.868425      7.624015
  C      -3.165285     -4.932168      8.942829
  C      -4.462491     -5.358641      9.196129
  F      -4.904051     -5.374884     10.476898
  C      -5.324574     -5.771051      8.172451
  C      -6.713129     -6.198042      8.376187
  O      -7.421857     -6.682215      7.502153
  C      -7.437134     -6.041166      9.765581
  O      -7.681497     -6.982065     10.486810
  C      -7.967867     -4.599705      9.981570
  O      -7.792507     -3.729801      9.176856
  Cl     -8.831013     -4.377125     11.508290
  C      -4.855419     -5.695508      6.854245
  H      -1.981018     -1.394944      0.771208
  H      -2.737933      0.896843      0.166377
  H      -5.889107     -2.238158      2.409682
  H      -8.387311     -6.440945      4.027401
  H     -10.106242     -5.519294      5.548202
  H      -6.156216     -2.959364      4.453041
  H      -1.719455     -4.495216      7.406283
  H      -2.529465     -4.625739      9.773033
  H      -5.533870     -5.967936      6.046241
  N      -4.495550     -2.609639      4.971614
  N      -4.923625     -1.849429      5.773253
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.320206094232
  N      -3.468890     -3.245715      2.096965
  C      -2.723755     -4.058238      1.144654
  C      -2.378216     -5.380873      1.791951
  N      -3.491724     -5.844461      2.650670
  C      -4.686876     -6.253478      1.886304
  C      -5.888930     -6.218075      2.802026
  N      -5.907900     -4.960343      3.528439
  Mo     -4.088431     -4.047079      3.822910
  N      -3.185082     -5.135218      5.210164
  C      -2.298807     -6.198322      4.732502
  C      -3.008339     -6.891229      3.582078
  H      -2.096225     -6.925282      5.533976
  H      -1.320900     -5.795721      4.420389
  H      -3.879761     -7.430155      3.974175
  H      -2.360755     -7.611834      3.053442
  H      -6.800577     -6.330040      2.189288
  H      -5.883758     -7.075989      3.502995
  H      -4.826044     -5.524044      1.077761
  H      -4.549558     -7.251611      1.434461
  H      -1.785920     -3.571083      0.828866
  H      -3.323822     -4.197739      0.226363
  H      -1.502439     -5.252399      2.442932
  H      -2.124413     -6.145290      1.037265
  C      -3.871759     -1.981098      1.649425
  C      -2.999572     -1.099779      0.979619
  C      -3.403025      0.191030      0.645526
  C      -4.665646      0.616011      1.034282
  F      -5.035008      1.904428      0.809941
  C      -5.565777     -0.233786      1.675631
  C      -6.778020      0.265474      2.373176
  O      -7.853199     -0.299678      2.410177
  C      -6.566037      1.527257      3.265962
  O      -7.353545      2.438518      3.306464
  C      -5.300162      1.447579      4.160445
  O      -4.531614      0.529125      4.134751
  Cl     -5.139744      2.832208      5.264258
  C      -5.178487     -1.555457      1.922197
  C      -7.112299     -4.650032      4.180791
  C      -8.248209     -5.437499      4.446631
  C      -9.219101     -4.925185      5.324843
  C      -9.063237     -3.696924      5.965906
  F      -9.971077     -3.313681      6.892301
  C      -7.946804     -2.892636      5.691777
  C      -7.391956     -1.677356      6.359070
  O      -7.841139     -0.554091      6.393102
  C      -5.944379     -1.879777      6.968507
  O      -5.094385     -2.794553      7.420842
  C      -5.677189     -0.789620      8.014118
  O      -6.349545     -0.567939      8.975732
  Cl     -4.052754      0.009634      7.864749
  C      -7.089090     -3.382222      4.733218
  C      -3.576273     -5.215493      6.566705
  C      -2.731033     -4.838224      7.624537
  C      -3.178278     -4.905931      8.942046
  C      -4.469190     -5.352527      9.191868
  F      -4.914708     -5.373728     10.471367
  C      -5.321861     -5.779731      8.166522
  C      -6.703444     -6.229801      8.368455
  O      -7.402769     -6.725289      7.493400
  C      -7.428837     -6.086676      9.760152
  O      -7.669134     -7.035541     10.472254
  C      -7.970015     -4.650672      9.987212
  O      -7.825896     -3.780508      9.176775
  Cl     -8.799498     -4.436305     11.534238
  C      -4.850007     -5.699906      6.849511
  H      -1.980009     -1.409395      0.749625
  H      -2.730458      0.882896      0.138640
  H      -5.880293     -2.225621      2.420120
  H      -8.374729     -6.446723      4.054488
  H     -10.095150     -5.524967      5.573556
  H      -6.164191     -2.945664      4.442566
  H      -1.735167     -4.449345      7.408499
  H      -2.550296     -4.587177      9.773570
  H      -5.522981     -5.982025      6.040248
  N      -4.495844     -2.602964      4.969771
  N      -4.921417     -1.842701      5.769271
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.324170579664
  N      -3.465251     -3.245903      2.096491
  C      -2.728048     -4.065047      1.143313
  C      -2.384804     -5.386433      1.793911
  N      -3.499006     -5.845082      2.654770
  C      -4.694509     -6.255767      1.892038
  C      -5.895249     -6.216415      2.808891
  N      -5.910585     -4.956180      3.531645
  Mo     -4.091225     -4.045058      3.820911
  N      -3.180477     -5.121563      5.210192
  C      -2.301996     -6.192803      4.735366
  C      -3.017271     -6.888963      3.590545
  H      -2.099718     -6.916106      5.540171
  H      -1.323321     -5.796015      4.418308
  H      -3.890061     -7.421746      3.987971
  H      -2.374363     -7.615380      3.064133
  H      -6.808217     -6.328617      2.198206
  H      -5.890682     -7.072368      3.512173
  H      -4.833832     -5.528027      1.081959
  H      -4.557928     -7.254959      1.442372
  H      -1.789462     -3.583513      0.821175
  H      -3.333042     -4.205345      0.228375
  H      -1.508568     -5.257355      2.444059
  H      -2.132584     -6.153451      1.041341
  C      -3.866562     -1.982262      1.645259
  C      -2.995400     -1.108824      0.963554
  C      -3.394869      0.182345      0.625738
  C      -4.652468      0.615639      1.021436
  F      -5.017379      1.904760      0.793378
  C      -5.552369     -0.226768      1.672829
  C      -6.759470      0.281529      2.371997
  O      -7.835607     -0.280707      2.420859
  C      -6.543052      1.552223      3.252090
  O      -7.326138      2.466827      3.283305
  C      -5.278544      1.473952      4.151572
  O      -4.510971      0.555119      4.125052
  Cl     -5.121160      2.857734      5.254158
  C      -5.169452     -1.548807      1.923983
  C      -7.113108     -4.644700      4.186472
  C      -8.242225     -5.437813      4.463865
  C      -9.213568     -4.925416      5.340988
  C      -9.063130     -3.690603      5.970521
  F      -9.970069     -3.304827      6.896622
  C      -7.953784     -2.880942      5.684953
  C      -7.399404     -1.664341      6.350510
  O      -7.846071     -0.540001      6.385677
  C      -5.956730     -1.874027      6.966763
  O      -5.126180     -2.791913      7.434401
  C      -5.698873     -0.790993      8.019746
  O      -6.365656     -0.589036      8.989525
  Cl     -4.083315      0.031260      7.868151
  C      -7.094850     -3.371279      4.727079
  C      -3.577272     -5.201573      6.565695
  C      -2.741364     -4.807798      7.624919
  C      -3.190943     -4.880209      8.941457
  C      -4.475002     -5.347785      9.188660
  F      -4.923367     -5.374914     10.467216
  C      -5.318538     -5.789664      8.162030
  C      -6.692862     -6.263708      8.361723
  O      -7.382365     -6.768391      7.484372
  C      -7.420515     -6.136960      9.755177
  O      -7.660128     -7.095222     10.454658
  C      -7.967693     -4.706233      9.998092
  O      -7.850005     -3.833918      9.186486
  Cl     -8.767764     -4.503639     11.562644
  C      -4.844512     -5.704315      6.846169
  H      -1.978989     -1.424477      0.728020
  H      -2.722686      0.868105      0.110125
  H      -5.871453     -2.212701      2.429867
  H      -8.362181     -6.451475      4.081330
  H     -10.084574     -5.529043      5.597920
  H      -6.172643     -2.930818      4.431045
  H      -1.751502     -4.403266      7.410154
  H      -2.570621     -4.549417      9.774016
  H      -5.511903     -5.996816      6.035981
  N      -4.496444     -2.595717      4.967818
  N      -4.919425     -1.834366      5.765039
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.328036976782
  N      -3.462214     -3.246481      2.096057
  C      -2.732757     -4.071712      1.141785
  C      -2.391657     -5.392015      1.795132
  N      -3.506137     -5.845843      2.658665
  C      -4.702349     -6.258487      1.898099
  C      -5.901649     -6.215085      2.816465
  N      -5.913265     -4.952356      3.535620
  Mo     -4.094131     -4.043339      3.819170
  N      -3.175121     -5.108431      5.209894
  C      -2.303960     -6.187260      4.737723
  C      -3.025170     -6.886753      3.598605
  H      -2.101620     -6.906920      5.545720
  H      -1.324765     -5.795874      4.415640
  H      -3.898931     -7.413817      4.001585
  H      -2.386826     -7.618591      3.074120
  H      -6.816086     -6.327467      2.208056
  H      -5.897483     -7.069059      3.522066
  H      -4.842148     -5.532717      1.086297
  H      -4.566566     -7.258860      1.450880
  H      -1.793571     -3.595519      0.813520
  H      -3.342643     -4.212499      0.230173
  H      -1.514618     -5.262597      2.444035
  H      -2.141502     -6.161453      1.044355
  C      -3.862032     -1.983566      1.641553
  C      -2.992054     -1.117959      0.948155
  C      -3.387490      0.173742      0.607232
  C      -4.639845      0.615395      1.010243
  F      -5.000187      1.905290      0.778874
  C      -5.539473     -0.219779      1.671392
  C      -6.741745      0.296988      2.372067
  O      -7.818081     -0.263522      2.433479
  C      -6.521516      1.575709      3.240534
  O      -7.299847      2.493898      3.262065
  C      -5.257428      1.499789      4.143633
  O      -4.490104      0.581238      4.115770
  Cl     -5.103400      2.882532      5.245426
  C      -5.160952     -1.542277      1.926481
  C      -7.113491     -4.639599      4.193631
  C      -8.235563     -5.438174      4.483653
  C      -9.206690     -4.925830      5.360393
  C      -9.061188     -3.684706      5.978200
  F      -9.966015     -3.296633      6.905311
  C      -7.959375     -2.869838      5.680124
  C      -7.405510     -1.652499      6.344515
  O      -7.850155     -0.527370      6.382225
  C      -5.967454     -1.869595      6.966525
  O      -5.156617     -2.790828      7.448029
  C      -5.717499     -0.793880      8.026636
  O      -6.378424     -0.611579      9.004352
  Cl     -4.110253      0.049678      7.873082
  C      -7.099895     -3.360874      4.722372
  C      -3.578285     -5.188269      6.564077
  C      -2.753701     -4.776378      7.625356
  C      -3.206662     -4.852983      8.940329
  C      -4.483132     -5.342232      9.183632
  F      -4.935918     -5.374592     10.460669
  C      -5.315391     -5.800585      8.155170
  C      -6.681516     -6.298772      8.352473
  O      -7.359625     -6.817040      7.474393
  C      -7.411925     -6.182702      9.747150
  O      -7.647990     -7.147153     10.439406
  C      -7.969436     -4.757079      9.997265
  O      -7.881167     -3.886681      9.179807
  Cl     -8.737818     -4.558503     11.578693
  C      -4.838089     -5.711086      6.840732
  H      -1.978948     -1.439674      0.706778
  H      -2.715802      0.853466      0.083049
  H      -5.863224     -2.200030      2.439849
  H      -8.349056     -6.456209      4.110991
  H     -10.072255     -5.533311      5.626447
  H      -6.180875     -2.916139      4.420280
  H      -1.770544     -4.354858      7.412579
  H      -2.595601     -4.508764      9.774287
  H      -5.498250     -6.015678      6.029064
  N      -4.496592     -2.589048      4.965997
  N      -4.916101     -1.826601      5.761332
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.331808341575
  N      -3.459628     -3.247029      2.095873
  C      -2.737281     -4.078583      1.141124
  C      -2.398577     -5.397857      1.797555
  N      -3.513596     -5.846358      2.663658
  C      -4.710316     -6.261126      1.905025
  C      -5.908435     -6.213240      2.824471
  N      -5.916393     -4.947759      3.539590
  Mo     -4.097856     -4.040813      3.817853
  N      -3.171221     -5.094596      5.210178
  C      -2.307444     -6.181363      4.741443
  C      -3.034130     -6.884267      3.608050
  H      -2.105603     -6.897145      5.552950
  H      -1.327534     -5.795732      4.414711
  H      -3.909169     -7.405287      4.016269
  H      -2.400298     -7.621742      3.085976
  H      -6.824137     -6.325875      2.218069
  H      -5.904957     -7.064968      3.532703
  H      -4.850240     -5.537662      1.091152
  H      -4.575280     -7.262879      1.460762
  H      -1.797376     -3.607740      0.807273
  H      -3.351509     -4.219933      0.232520
  H      -1.520803     -5.268198      2.445317
  H      -2.150602     -6.169916      1.048774
  C      -3.857384     -1.984925      1.637524
  C      -2.988204     -1.127607      0.932587
  C      -3.379051      0.164546      0.587850
  C      -4.626069      0.615068      0.997280
  F      -4.981381      1.905664      0.761815
  C      -5.525764     -0.212354      1.668091
  C      -6.723291      0.313303      2.369368
  O      -7.800092     -0.244859      2.442714
  C      -6.499144      1.600567      3.224615
  O      -7.273111      2.522009      3.236114
  C      -5.236163      1.527312      4.131959
  O      -4.468249      0.609447      4.103869
  Cl     -5.086630      2.909578      5.232584
  C      -5.152187     -1.535269      1.927777
  C      -7.114414     -4.633093      4.200317
  C      -8.229403     -5.436803      4.502967
  C      -9.200712     -4.923714      5.378556
  C      -9.060487     -3.675836      5.983885
  F      -9.964164     -3.284409      6.910566
  C      -7.965986     -2.856147      5.673522
  C      -7.412704     -1.637207      6.336304
  O      -7.855783     -0.511439      6.375944
  C      -5.979689     -1.861040      6.964639
  O      -5.189324     -2.786070      7.460341
  C      -5.736941     -0.790798      8.030524
  O      -6.391499     -0.624076      9.015169
  Cl     -4.137913      0.072822      7.873406
  C      -7.105533     -3.348709      4.716471
  C      -3.579987     -5.174116      6.563332
  C      -2.766307     -4.744667      7.626007
  C      -3.221845     -4.827027      8.939937
  C      -4.490074     -5.339221      9.180526
  F      -4.945553     -5.378629     10.456550
  C      -5.311764     -5.813196      8.150615
  C      -6.669398     -6.337258      8.344367
  O      -7.335598     -6.864669      7.462867
  C      -7.403655     -6.239350      9.739796
  O      -7.641078     -7.213833     10.417197
  C      -7.964574     -4.819185     10.008453
  O      -7.898303     -3.945204      9.193747
  Cl     -8.708061     -4.635119     11.603935
  C      -4.831846     -5.717235      6.837667
  H      -1.978479     -1.455758      0.685920
  H      -2.707504      0.837762      0.055164
  H      -5.855266     -2.186422      2.448283
  H      -8.336382     -6.459177      4.140510
  H     -10.061109     -5.534538      5.653518
  H      -6.189742     -2.899736      4.408213
  H      -1.790223     -4.306337      7.414750
  H      -2.619632     -4.470225      9.775028
  H      -5.484582     -6.034328      6.024808
  N      -4.497503     -2.580879      4.963757
  N      -4.913238     -1.815834      5.756417
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.335465582401
  N      -3.457456     -3.248094      2.095280
  C      -2.742144     -4.085574      1.139909
  C      -2.405718     -5.403847      1.799052
  N      -3.520804     -5.847022      2.668365
  C      -4.718464     -6.264207      1.912334
  C      -5.915198     -6.211575      2.833320
  N      -5.919361     -4.943259      3.544254
  Mo     -4.101435     -4.038376      3.816542
  N      -3.166391     -5.081125      5.210020
  C      -2.309422     -6.175227      4.744611
  C      -3.041771     -6.881733      3.617029
  H      -2.107682     -6.887095      5.559521
  H      -1.329064     -5.794871      4.413151
  H      -3.917603     -7.397245      4.030720
  H      -2.412269     -7.624394      3.097054
  H      -6.832368     -6.324516      2.229253
  H      -5.912118     -7.060907      3.544343
  H      -4.858859     -5.543412      1.096140
  H      -4.584328     -7.267517      1.471402
  H      -1.801676     -3.619860      0.800557
  H      -3.360748     -4.227321      0.234347
  H      -1.526830     -5.274149      2.445196
  H      -2.160466     -6.178450      1.052032
  C      -3.853198     -1.986573      1.633382
  C      -2.984975     -1.137573      0.917043
  C      -3.371289      0.155160      0.569002
  C      -4.612763      0.614592      0.985312
  F      -4.962874      1.905999      0.746319
  C      -5.512433     -0.205187      1.665671
  C      -6.705172      0.328866      2.368177
  O      -7.782117     -0.227392      2.453423
  C      -6.477702      1.624151      3.210824
  O      -7.247770      2.548404      3.212591
  C      -5.215632      1.554367      4.121998
  O      -4.446255      0.638053      4.093321
  Cl     -5.071667      2.935875      5.222154
  C      -5.143767     -1.528587      1.929254
  C      -7.114660     -4.626585      4.208457
  C      -8.222309     -5.435160      4.524987
  C      -9.192831     -4.921709      5.400481
  C      -9.057127     -3.667566      5.993264
  F      -9.957740     -3.273363      6.921668
  C      -7.970605     -2.843192      5.669144
  C      -7.418116     -1.623631      6.330975
  O      -7.860202     -0.497577      6.374371
  C      -5.989834     -1.854603      6.964386
  O      -5.219831     -2.783943      7.472233
  C      -5.752818     -0.790648      8.036256
  O      -6.401148     -0.640222      9.027668
  Cl     -4.160675      0.090434      7.877043
  C      -7.110068     -3.337002      4.712068
  C      -3.582121     -5.160356      6.561665
  C      -2.782046     -4.711526      7.626720
  C      -3.241547     -4.798902      8.938723
  C      -4.500644     -5.334416      9.174772
  F      -4.960830     -5.380313     10.449032
  C      -5.309243     -5.825443      8.142624
  C      -6.657052     -6.375318      8.333235
  O      -7.310463     -6.915979      7.450413
  C      -7.393700     -6.290777      9.730220
  O      -7.626287     -7.272486     10.399014
  C      -7.966375     -4.876936     10.008155
  O      -7.929698     -4.003928      9.190235
  Cl     -8.678834     -4.699516     11.618962
  C      -4.825185     -5.725120      6.831462
  H      -1.978785     -1.472177      0.664788
  H      -2.700040      0.821955      0.027925
  H      -5.847625     -2.173268      2.456598
  H      -8.322898     -6.461798      4.173027
  H     -10.047447     -5.535985      5.685581
  H      -6.198058     -2.883370      4.396851
  H      -1.813775     -4.255067      7.418034
  H      -2.650161     -4.428159      9.775468
  H      -5.468499     -6.056057      6.016602
  N      -4.497572     -2.573109      4.961309
  N      -4.908721     -1.805840      5.752094
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.339060265201
  N      -3.455662     -3.248928      2.095126
  C      -2.746611     -4.092474      1.139732
  C      -2.412674     -5.409830      1.801858
  N      -3.528207     -5.847368      2.673977
  C      -4.726459     -6.267054      1.920043
  C      -5.922121     -6.209578      2.842062
  N      -5.922778     -4.938250      3.548538
  Mo     -4.105970     -4.035220      3.815630
  N      -3.163441     -5.067178      5.210455
  C      -2.313433     -6.169072      4.749187
  C      -3.050536     -6.879041      3.627038
  H      -2.112587     -6.876908      5.567763
  H      -1.332315     -5.794360      4.413694
  H      -3.927522     -7.388977      4.045392
  H      -2.425064     -7.626893      3.109643
  H      -6.840519     -6.322983      2.240019
  H      -5.919577     -7.056333      3.556079
  H      -4.866965     -5.549075      1.101355
  H      -4.593031     -7.271992      1.482723
  H      -1.805440     -3.631805      0.795551
  H      -3.368955     -4.234664      0.236812
  H      -1.532871     -5.280186      2.446663
  H      -2.170042     -6.187062      1.056755
  C      -3.848727     -1.988098      1.629148
  C      -2.980939     -1.147788      0.901796
  C      -3.362014      0.145493      0.549833
  C      -4.597921      0.614305      0.971864
  F      -4.942371      1.906428      0.728501
  C      -5.498078     -0.197374      1.661318
  C      -6.686573      0.345435      2.363331
  O      -7.763632     -0.208835      2.460104
  C      -6.455807      1.648775      3.192498
  O      -7.221640      2.576083      3.183526
  C      -5.194863      1.582746      4.107416
  O      -4.423412      0.668195      4.079048
  Cl     -5.056951      2.964037      5.206654
  C      -5.134952     -1.521227      1.929571
  C      -7.115570     -4.619118      4.215702
  C      -8.215731     -5.432393      4.545890
  C      -9.186036     -4.917861      5.420468
  C      -9.055500     -3.656915      5.999956
  F      -9.954438     -3.258882      6.928225
  C      -7.976774     -2.828061      5.662494
  C      -7.425231     -1.606470      6.322640
  O      -7.866760     -0.480227      6.368538
  C      -6.002192     -1.843736      6.962001
  O      -5.253569     -2.777590      7.482816
  C      -5.769976     -0.783630      8.038259
  O      -6.411582     -0.644271      9.035460
  Cl     -4.184698      0.113902      7.874234
  C      -7.115532     -3.323956      4.706063
  C      -3.585071     -5.145948      6.560992
  C      -2.797384     -4.679184      7.627462
  C      -3.259580     -4.773217      8.938327
  C      -4.509271     -5.332347      9.171545
  F      -4.971672     -5.386615     10.444812
  C      -5.306615     -5.838192      8.137696
  C      -6.644921     -6.414367      8.323653
  O      -7.286019     -6.961274      7.435912
  C      -7.384655     -6.353306      9.721891
  O      -7.618111     -7.347308     10.371841
  C      -7.960354     -4.946693     10.024710
  O      -7.944938     -4.066824      9.214568
  Cl     -8.648805     -4.791106     11.648542
  C      -4.819408     -5.731105      6.828354
  H      -1.978318     -1.489207      0.644673
  H      -2.690577      0.805421      0.000637
  H      -5.840270     -2.159004      2.463185
  H      -8.309746     -6.463220      4.204643
  H     -10.035148     -5.535133      5.715324
  H      -6.207409     -2.865629      4.383855
  H      -1.836946     -4.205708      7.420606
  H      -2.677889     -4.390205      9.776325
  H      -5.453874     -6.074997      6.011960
  N      -4.498985     -2.563923      4.958336
  N      -4.905146     -1.792933      5.746118
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.342587858080
  N      -3.454154     -3.250283      2.094524
  C      -2.751547     -4.099392      1.138758
  C      -2.419834     -5.415823      1.803369
  N      -3.535197     -5.847915      2.678942
  C      -4.734542     -6.270290      1.927896
  C      -5.928770     -6.207941      2.851591
  N      -5.925788     -4.933627      3.553587
  Mo     -4.110075     -4.032444      3.814621
  N      -3.159087     -5.053971      5.210181
  C      -2.315374     -6.162821      4.752663
  C      -3.057464     -6.876378      3.635977
  H      -2.114822     -6.866705      5.574646
  H      -1.333843     -5.793064      4.412995
  H      -3.934918     -7.381616      4.059186
  H      -2.435721     -7.628726      3.120605
  H      -6.848701     -6.321884      2.252060
  H      -5.926228     -7.052054      3.568643
  H      -4.875668     -5.555334      1.106638
  H      -4.602003     -7.276934      1.494340
  H      -1.809910     -3.643507      0.789626
  H      -3.377877     -4.241849      0.238652
  H      -1.538708     -5.286419      2.446312
  H      -2.180347     -6.195525      1.059872
  C      -3.844801     -1.989918      1.624926
  C      -2.977909     -1.158168      0.886525
  C      -3.354152      0.135734      0.531271
  C      -4.584279      0.613734      0.959829
  F      -4.923140      1.906665      0.712894
  C      -5.484514     -0.190111      1.658522
  C      -6.668423      0.360802      2.361403
  O      -7.745421     -0.191684      2.469564
  C      -6.435006      1.672020      3.177276
  O      -7.197761      2.601373      3.158531
  C      -5.175258      1.610629      4.095885
  O      -4.400657      0.698962      4.067203
  Cl     -5.044918      2.991238      5.195160
  C      -5.126570     -1.514431      1.930558
  C      -7.115439     -4.612189      4.224754
  C      -8.207581     -5.430110      4.570037
  C      -9.176413     -4.915340      5.445275
  C      -9.050360     -3.648220      6.011560
  F      -9.945136     -3.247434      6.942614
  C      -7.980464     -2.814780      5.659032
  C      -7.430211     -1.592402      6.318383
  O      -7.871863     -0.466411      6.368925
  C      -6.011984     -1.836488      6.962162
  O      -5.284491     -2.775471      7.493526
  C      -5.783093     -0.781592      8.043479
  O      -6.418164     -0.655025      9.046548
  Cl     -4.203116      0.129839      7.876653
  C      -7.119616     -3.312034      4.702164
  C      -3.588262     -5.132571      6.559033
  C      -2.815922     -4.646114      7.627973
  C      -3.282311     -4.745667      8.936687
  C      -4.521677     -5.328390      9.165124
  F      -4.988438     -5.390263     10.436589
  C      -5.305069     -5.850540      8.128818
  C      -6.632596     -6.452140      8.310962
  O      -7.260360     -7.010964      7.421361
  C      -7.374525     -6.405962      9.710902
  O      -7.602545     -7.407721     10.351122
  C      -7.963166     -5.006778     10.023955
  O      -7.977006     -4.127599      9.212603
  Cl     -8.622041     -4.859403     11.661176
  C      -4.813060     -5.739259      6.821543
  H      -1.979026     -1.506234      0.623962
  H      -2.682946      0.789039     -0.026073
  H      -5.833005     -2.145577      2.470411
  H      -8.295004     -6.464993      4.239628
  H     -10.019044     -5.535983      5.751413
  H      -6.216139     -2.848352      4.371967
  H      -1.864083     -4.154404      7.424034
  H      -2.712431     -4.348956      9.776419
  H      -5.436835     -6.097043      6.002870
  N      -4.499091     -2.555553      4.955278
  N      -4.899459     -1.781536      5.741322
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.354323531940
  N      -3.448242     -3.249616      2.094200
  C      -2.739853     -4.100359      1.132137
  C      -2.410617     -5.426873      1.788798
  N      -3.532704     -5.863250      2.663415
  C      -4.734540     -6.287185      1.903808
  C      -5.936377     -6.222531      2.826512
  N      -5.932625     -4.942726      3.537536
  Mo     -4.118161     -4.037002      3.812266
  N      -3.162696     -5.067402      5.204215
  C      -2.316569     -6.185419      4.749062
  C      -3.056523     -6.897822      3.624071
  H      -2.121082     -6.889631      5.571957
  H      -1.333009     -5.816657      4.413938
  H      -3.936264     -7.403245      4.042530
  H      -2.433198     -7.649410      3.109464
  H      -6.855171     -6.332241      2.224501
  H      -5.937485     -7.068311      3.541555
  H      -4.872249     -5.570920      1.083028
  H      -4.600351     -7.293195      1.469401
  H      -1.796310     -3.643903      0.788695
  H      -3.364239     -4.235843      0.229509
  H      -1.531073     -5.301761      2.434752
  H      -2.170156     -6.202520      1.041375
  C      -3.834803     -1.980342      1.625274
  C      -2.960216     -1.148768      0.894838
  C      -3.326551      0.149244      0.543823
  C      -4.555143      0.633601      0.968451
  F      -4.883811      1.929919      0.725628
  C      -5.464476     -0.168734      1.657691
  C      -6.651526      0.382854      2.354357
  O      -7.730071     -0.169512      2.452273
  C      -6.430064      1.693376      3.176413
  O      -7.193861      2.621642      3.148780
  C      -5.180977      1.635496      4.113172
  O      -4.399363      0.728831      4.089797
  Cl     -5.070660      3.014194      5.213938
  C      -5.116315     -1.497344      1.923576
  C      -7.129952     -4.619846      4.210367
  C      -8.217382     -5.445130      4.552279
  C      -9.190730     -4.936647      5.427606
  C      -9.071329     -3.668301      5.996864
  F      -9.970088     -3.272740      6.926428
  C      -8.005106     -2.828790      5.648158
  C      -7.462376     -1.603267      6.312011
  O      -7.914806     -0.481388      6.352621
  C      -6.040943     -1.828794      6.979139
  O      -5.356397     -2.787417      7.531993
  C      -5.807300     -0.748651      8.045970
  O      -6.450534     -0.619617      9.042884
  Cl     -4.217261      0.154140      7.879262
  C      -7.143556     -3.319859      4.692008
  C      -3.600738     -5.145249      6.556894
  C      -2.827633     -4.650092      7.621759
  C      -3.287527     -4.742110      8.932295
  C      -4.523296     -5.326638      9.168328
  F      -4.984390     -5.383081     10.442475
  C      -5.310025     -5.857801      8.139661
  C      -6.633519     -6.459824      8.348140
  O      -7.275887     -7.033411      7.479610
  C      -7.332590     -6.390072      9.752059
  O      -7.537181     -7.374616     10.417703
  C      -7.907843     -4.987344     10.063980
  O      -7.946272     -4.119180      9.242383
  Cl     -8.511209     -4.816203     11.720408
  C      -4.824339     -5.755170      6.827742
  H      -1.961691     -1.500686      0.635722
  H      -2.648129      0.800764     -0.007105
  H      -5.832645     -2.125877      2.453134
  H      -8.297614     -6.479925      4.219187
  H     -10.031063     -5.561877      5.731091
  H      -6.242489     -2.841581      4.365363
  H      -1.877792     -4.157130      7.411189
  H      -2.715455     -4.338372      9.767320
  H      -5.450386     -6.121477      6.014575
  N      -4.524073     -2.554833      4.960005
  N      -4.916479     -1.766827      5.743171
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.363803530841
  N      -3.446271     -3.253889      2.096132
  C      -2.736677     -4.101204      1.130934
  C      -2.409201     -5.432735      1.780943
  N      -3.532160     -5.873287      2.652135
  C      -4.733857     -6.295889      1.889570
  C      -5.938758     -6.233462      2.811541
  N      -5.934781     -4.954316      3.527437
  Mo     -4.124673     -4.045858      3.809584
  N      -3.163183     -5.081935      5.193179
  C      -2.318068     -6.201426      4.740204
  C      -3.057564     -6.910229      3.611585
  H      -2.126274     -6.905758      5.563410
  H      -1.334355     -5.831784      4.407601
  H      -3.938724     -7.415889      4.026530
  H      -2.433392     -7.659865      3.095820
  H      -6.857218     -6.339017      2.209153
  H      -5.939871     -7.080415      3.524372
  H      -4.869929     -5.577375      1.070603
  H      -4.597831     -7.300553      1.453992
  H      -1.792536     -3.642794      0.792754
  H      -3.360501     -4.230864      0.227597
  H      -1.531204     -5.311195      2.429494
  H      -2.168780     -6.204289      1.029904
  C      -3.829786     -1.979758      1.632284
  C      -2.949432     -1.147794      0.909559
  C      -3.307724      0.154140      0.565478
  C      -4.534360      0.642813      0.989858
  F      -4.854982      1.942093      0.753570
  C      -5.449893     -0.159344      1.671594
  C      -6.638394      0.392459      2.364583
  O      -7.716957     -0.161694      2.457618
  C      -6.427840      1.704336      3.187974
  O      -7.195392      2.629298      3.153721
  C      -5.184852      1.654708      4.134783
  O      -4.394582      0.754975      4.112653
  Cl     -5.092252      3.031717      5.236650
  C      -5.109445     -1.492430      1.929312
  C      -7.135437     -4.632657      4.202911
  C      -8.216238     -5.466193      4.544149
  C      -9.191559     -4.965478      5.423057
  C      -9.077655     -3.697184      5.995894
  F      -9.976541     -3.309302      6.928692
  C      -8.016745     -2.850693      5.647149
  C      -7.480517     -1.623612      6.312229
  O      -7.946096     -0.506935      6.343086
  C      -6.055842     -1.828643      6.997299
  O      -5.416806     -2.802183      7.562550
  C      -5.811239     -0.719445      8.042737
  O      -6.459726     -0.586809      9.034266
  Cl     -4.214889      0.172560      7.868037
  C      -7.157298     -3.334943      4.688404
  C      -3.609880     -5.156194      6.545241
  C      -2.835718     -4.650369      7.604191
  C      -3.291248     -4.730809      8.916358
  C      -4.525993     -5.313876      9.159039
  F      -4.982883     -5.358864     10.435720
  C      -5.315854     -5.854899      8.137226
  C      -6.639433     -6.453144      8.365497
  O      -7.289563     -7.041086      7.512093
  C      -7.309829     -6.355881      9.764965
  O      -7.498750     -7.322317     10.457176
  C      -7.881772     -4.949079     10.063501
  O      -7.940814     -4.095024      9.229072
  Cl     -8.454570     -4.752589     11.728594
  C      -4.832615     -5.765940      6.822947
  H      -1.951798     -1.502916      0.650910
  H      -2.624177      0.805003      0.020029
  H      -5.832593     -2.120504      2.450836
  H      -8.289511     -6.500650      4.208122
  H     -10.027843     -5.596082      5.726672
  H      -6.261783     -2.840289      4.363601
  H      -1.887146     -4.158013      7.386143
  H      -2.717656     -4.318947      9.746412
  H      -5.460119     -6.140885      6.014411
  N      -4.542595     -2.557703      4.965050
  N      -4.922930     -1.757202      5.741040
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.372003850075
  N      -3.444195     -3.258933      2.097410
  C      -2.734868     -4.103360      1.129282
  C      -2.409648     -5.438957      1.773045
  N      -3.532537     -5.882067      2.642404
  C      -4.734738     -6.303083      1.878960
  C      -5.941508     -6.241622      2.800091
  N      -5.936613     -4.963892      3.519514
  Mo     -4.130534     -4.053780      3.806778
  N      -3.162868     -5.094788      5.181932
  C      -2.319995     -6.216061      4.731347
  C      -3.059331     -6.921122      3.600186
  H      -2.131789     -6.920531      5.555126
  H      -1.335721     -5.846756      4.400330
  H      -3.941568     -7.426622      4.012813
  H      -2.434938     -7.669674      3.083011
  H      -6.859881     -6.343301      2.197288
  H      -5.942836     -7.089835      3.511158
  H      -4.869670     -5.583100      1.061141
  H      -4.598031     -7.307341      1.442871
  H      -1.789883     -3.644131      0.794968
  H      -3.358861     -4.227663      0.225450
  H      -1.532099     -5.321241      2.422788
  H      -2.170540     -6.207069      1.018107
  C      -3.823841     -1.980631      1.638324
  C      -2.937525     -1.149187      0.922444
  C      -3.287801      0.156774      0.585720
  C      -4.512423      0.649983      1.010886
  F      -4.825256      1.952161      0.781465
  C      -5.433957     -0.151412      1.685547
  C      -6.624202      0.401057      2.374087
  O      -7.702374     -0.155297      2.463064
  C      -6.425301      1.715555      3.196138
  O      -7.197308      2.636442      3.153496
  C      -5.189389      1.676201      4.152791
  O      -4.390245      0.784179      4.132955
  Cl     -5.115468      3.052988      5.254472
  C      -5.101419     -1.488644      1.934980
  C      -7.139233     -4.643850      4.197003
  C      -8.213814     -5.484707      4.538868
  C      -9.190038     -4.991316      5.421638
  C      -9.081143     -3.724124      5.998227
  F      -9.979713     -3.344743      6.934767
  C      -8.025964     -2.870262      5.648769
  C      -7.496038     -1.642275      6.315269
  O      -7.974617     -0.530362      6.338573
  C      -6.071547     -1.830897      7.014330
  O      -5.478797     -2.813136      7.584995
  C      -5.815973     -0.694266      8.036230
  O      -6.468720     -0.556704      9.023345
  Cl     -4.217100      0.186631      7.853306
  C      -7.168609     -3.348196      4.685434
  C      -3.616291     -5.164051      6.533416
  C      -2.839703     -4.647287      7.585628
  C      -3.289931     -4.716609      8.899990
  C      -4.523669     -5.298574      9.150299
  F      -4.974916     -5.331762     10.429705
  C      -5.317467     -5.848372      8.135605
  C      -6.641979     -6.443411      8.378193
  O      -7.294664     -7.041082      7.532403
  C      -7.297010     -6.330237      9.774668
  O      -7.474151     -7.287050     10.484450
  C      -7.869506     -4.921185     10.069722
  O      -7.942558     -4.071547      9.232350
  Cl     -8.419592     -4.715986     11.742342
  C      -4.837546     -5.772633      6.819224
  H      -1.941213     -1.507918      0.663724
  H      -2.599458      0.806833      0.045353
  H      -5.830986     -2.115949      2.448687
  H      -8.281129     -6.518815      4.200709
  H     -10.022130     -5.627025      5.726028
  H      -6.280723     -2.836973      4.361831
  H      -1.892426     -4.156252      7.359079
  H      -2.714210     -4.297131      9.724683
  H      -5.467071     -6.156300      6.016107
  N      -4.559042     -2.558401      4.968051
  N      -4.927519     -1.747595      5.734045
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.379303471877
  N      -3.442032     -3.264930      2.097903
  C      -2.734244     -4.106749      1.126999
  C      -2.411313     -5.445361      1.765275
  N      -3.533472     -5.889653      2.633781
  C      -4.736471     -6.308698      1.870790
  C      -5.943846     -6.247937      2.791437
  N      -5.937895     -4.972187      3.513538
  Mo     -4.135211     -4.061769      3.803346
  N      -3.161393     -5.106347      5.170302
  C      -2.321746     -6.229444      4.721866
  C      -3.061642     -6.930759      3.589338
  H      -2.136696     -6.934021      5.546221
  H      -1.336748     -5.861476      4.391422
  H      -3.944705     -7.435853      4.000629
  H      -2.437875     -7.678772      3.070456
  H      -6.862241     -6.346437      2.188281
  H      -5.945187     -7.097579      3.500810
  H      -4.870799     -5.587699      1.053742
  H      -4.599961     -7.312900      1.434412
  H      -1.788426     -3.647553      0.795167
  H      -3.358955     -4.226347      0.223026
  H      -1.533399     -5.331609      2.415170
  H      -2.174471     -6.210570      1.006606
  C      -3.817446     -1.983208      1.643858
  C      -2.925945     -1.152252      0.933790
  C      -3.269159      0.157737      0.605382
  C      -4.491584      0.654834      1.032977
  F      -4.797553      1.959852      0.811128
  C      -5.418173     -0.146028      1.701329
  C      -6.610494      0.406603      2.385499
  O      -7.687506     -0.153042      2.471936
  C      -6.423614      1.724878      3.203750
  O      -7.200823      2.641010      3.151764
  C      -5.194632      1.697463      4.168890
  O      -4.386207      0.813839      4.151948
  Cl     -5.139874      3.074937      5.270037
  C      -5.092792     -1.486930      1.941899
  C      -7.140992     -4.654240      4.192806
  C      -8.209833     -5.501583      4.536694
  C      -9.185643     -5.015245      5.423837
  C      -9.081032     -3.749580      6.004009
  F      -9.978280     -3.379073      6.945392
  C      -8.032190     -2.888143      5.653057
  C      -7.509223     -1.658975      6.322400
  O      -8.000207     -0.551453      6.341090
  C      -6.088636     -1.836380      7.033054
  O      -5.539375     -2.825345      7.602320
  C      -5.821143     -0.673327      8.030706
  O      -6.475962     -0.527529      9.015271
  Cl     -4.222006      0.196408      7.838664
  C      -7.176979     -3.360100      4.683523
  C      -3.619362     -5.169752      6.521017
  C      -2.840158     -4.642308      7.566747
  C      -3.285838     -4.700747      8.883158
  C      -4.518999     -5.281224      9.140944
  F      -4.965813     -5.302816     10.422195
  C      -5.316017     -5.838730      8.133102
  C      -6.641680     -6.429922      8.385208
  O      -7.294552     -7.034332      7.543698
  C      -7.291219     -6.305381      9.779998
  O      -7.459996     -7.256317     10.501538
  C      -7.866449     -4.895429     10.072693
  O      -7.949889     -4.047698      9.234793
  Cl     -8.406238     -4.688933     11.749380
  C      -4.839122     -5.776269      6.814916
  H      -1.931246     -1.514321      0.673757
  H      -2.577020      0.807467      0.069492
  H      -5.827742     -2.113981      2.448368
  H      -8.272258     -6.535420      4.196984
  H     -10.013346     -5.655896      5.729857
  H      -6.298124     -2.832664      4.359985
  H      -1.893970     -4.153054      7.332009
  H      -2.708228     -4.274145      9.702801
  H      -5.470693     -6.168309      6.017350
  N      -4.572019     -2.559037      4.968209
  N      -4.929348     -1.739545      5.723695
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.385894371442
  N      -3.439176     -3.271470      2.098010
  C      -2.733492     -4.111096      1.124778
  C      -2.413332     -5.452003      1.758525
  N      -3.534971     -5.896113      2.626341
  C      -4.738641     -6.312765      1.863838
  C      -5.946308     -6.252308      2.783665
  N      -5.939439     -4.978678      3.507965
  Mo     -4.139276     -4.069651      3.799273
  N      -3.160417     -5.116710      5.159140
  C      -2.324567     -6.241867      4.712917
  C      -3.065233     -6.939450      3.579532
  H      -2.142802     -6.946538      5.537914
  H      -1.338501     -5.876246      4.382805
  H      -3.949204     -7.443855      3.989696
  H      -2.442624     -7.687406      3.059013
  H      -6.864396     -6.348108      2.179606
  H      -5.948224     -7.103467      3.491323
  H      -4.872089     -5.591127      1.047167
  H      -4.602913     -7.317128      1.427355
  H      -1.786662     -3.652689      0.794766
  H      -3.358819     -4.226497      0.220631
  H      -1.534755     -5.342450      2.408197
  H      -2.179242     -6.214915      0.996578
  C      -3.809671     -1.986773      1.649081
  C      -2.913459     -1.156116      0.944403
  C      -3.250181      0.157876      0.624927
  C      -4.470393      0.658291      1.055466
  F      -4.770041      1.966114      0.841455
  C      -5.401671     -0.142316      1.717605
  C      -6.596894      0.409908      2.396560
  O      -7.672044     -0.154149      2.481256
  C      -6.422789      1.733162      3.208682
  O      -7.205684      2.643977      3.146055
  C      -5.201012      1.719170      4.181780
  O      -4.382815      0.844596      4.169032
  Cl     -5.166470      3.098254      5.281870
  C      -5.082855     -1.486458      1.949149
  C      -7.142233     -4.662683      4.188134
  C      -8.206191     -5.515512      4.534561
  C      -9.181195     -5.035636      5.425532
  C      -9.080241     -3.771401      6.008637
  F      -9.976088     -3.408974      6.954710
  C      -8.037621     -2.902994      5.656075
  C      -7.522984     -1.672137      6.329875
  O      -8.025602     -0.568873      6.345883
  C      -6.110370     -1.842954      7.052289
  O      -5.600194     -2.839328      7.615091
  C      -5.830098     -0.654783      8.025508
  O      -6.485269     -0.497472      9.008485
  Cl     -4.231950      0.204243      7.824098
  C      -7.184136     -3.369384      4.680445
  C      -3.621143     -5.173921      6.508977
  C      -2.839515     -4.636706      7.548964
  C      -3.281021     -4.685398      8.867148
  C      -4.513483     -5.264769      9.132256
  F      -4.956800     -5.276277     10.414704
  C      -5.313256     -5.828629      8.130799
  C      -6.639523     -6.416088      8.390370
  O      -7.293439     -7.025088      7.552839
  C      -7.285353     -6.285169      9.786129
  O      -7.445739     -7.233490     10.514098
  C      -7.863181     -4.875739     10.080172
  O      -7.953299     -4.026617      9.244763
  Cl     -8.391365     -4.671876     11.761700
  C      -4.839625     -5.778116      6.810669
  H      -1.920459     -1.521266      0.682456
  H      -2.554776      0.807688      0.093388
  H      -5.822604     -2.113805      2.448317
  H      -8.264555     -6.549169      4.193743
  H     -10.004800     -5.680739      5.733306
  H      -6.314848     -2.826590      4.356421
  H      -1.894178     -4.149476      7.306821
  H      -2.701573     -4.252549      9.682187
  H      -5.473195     -6.178071      6.018593
  N      -4.582348     -2.559621      4.965056
  N      -4.930048     -1.731908      5.709861
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.391922650763
  N      -3.435692     -3.278311      2.097384
  C      -2.732616     -4.116338      1.121962
  C      -2.415505     -5.459200      1.751982
  N      -3.536889     -5.901985      2.619565
  C      -4.741327     -6.316095      1.857448
  C      -5.949155     -6.255401      2.776415
  N      -5.941277     -4.983605      3.502671
  Mo     -4.142608     -4.077405      3.794514
  N      -3.159540     -5.125988      5.148523
  C      -2.327895     -6.253778      4.704466
  C      -3.069686     -6.947783      3.570514
  H      -2.149531     -6.958494      5.530181
  H      -1.340452     -5.891448      4.374530
  H      -3.954645     -7.451206      3.979749
  H      -2.448720     -7.696120      3.048431
  H      -6.866749     -6.348861      2.171164
  H      -5.952181     -7.108030      3.482413
  H      -4.873672     -5.594194      1.040786
  H      -4.606876     -7.320779      1.421030
  H      -1.784709     -3.659303      0.793054
  H      -3.358592     -4.227956      0.217713
  H      -1.535925     -5.353995      2.400973
  H      -2.184699     -6.220439      0.987238
  C      -3.800772     -1.990781      1.653603
  C      -2.900474     -1.160153      0.953866
  C      -3.231115      0.157820      0.643912
  C      -4.448959      0.661147      1.077924
  F      -4.742609      1.971754      0.872065
  C      -5.384621     -0.139493      1.733940
  C      -6.583409      0.411676      2.407071
  O      -7.656024     -0.157880      2.490754
  C      -6.422853      1.740881      3.211255
  O      -7.211721      2.645881      3.136990
  C      -5.208534      1.741625      4.192092
  O      -4.379987      0.876868      4.184781
  Cl     -5.195475      3.122970      5.290585
  C      -5.071844     -1.486550      1.956216
  C      -7.143160     -4.669072      4.183356
  C      -8.202765     -5.526607      4.532985
  C      -9.176689     -5.052757      5.427508
  C      -9.078752     -3.789567      6.012620
  F      -9.972639     -3.434135      6.963631
  C      -8.042294     -2.914955      5.657722
  C      -7.537247     -1.682215      6.337435
  O      -8.050759     -0.583214      6.352691
  C      -6.135979     -1.850474      7.072139
  O      -5.659207     -2.856270      7.624086
  C      -5.842072     -0.640530      8.022086
  O      -6.496201     -0.470546      9.004135
  Cl     -4.245932      0.209569      7.811311
  C      -7.190381     -3.375961      4.676539
  C      -3.621292     -5.176732      6.497719
  C      -2.837575     -4.630589      7.532539
  C      -3.275173     -4.670306      8.852227
  C      -4.506818     -5.248719      9.124662
  F      -4.946905     -5.251315     10.408075
  C      -5.309235     -5.818094      8.129171
  C      -6.635730     -6.402115      8.395208
  O      -7.291954     -7.014497      7.562113
  C      -7.278122     -6.267840      9.793559
  O      -7.428628     -7.215428     10.524944
  C      -7.860044     -4.860337     10.090337
  O      -7.959696     -4.010080      9.257438
  Cl     -8.381370     -4.662518     11.775550
  C      -4.838835     -5.778453      6.807048
  H      -1.909257     -1.528140      0.689357
  H      -2.532872      0.808029      0.116596
  H      -5.815914     -2.114649      2.447993
  H      -8.257559     -6.560194      4.191433
  H      -9.996274     -5.701954      5.737429
  H      -6.330951     -2.818599      4.351326
  H      -1.892890     -4.145500      7.283718
  H      -2.693806     -4.231866      9.662921
  H      -5.474346     -6.185887      6.020340
  N      -4.589637     -2.560299      4.958646
  N      -4.929061     -1.724519      5.693064
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.397524087264
  N      -3.431352     -3.285046      2.096158
  C      -2.730979     -4.122437      1.119028
  C      -2.417616     -5.467126      1.746337
  N      -3.539505     -5.907375      2.613750
  C      -4.744587     -6.318857      1.851354
  C      -5.953008     -6.256965      2.768968
  N      -5.944016     -4.986421      3.496824
  Mo     -4.145816     -4.084429      3.789211
  N      -3.159878     -5.133709      5.139260
  C      -2.332740     -6.264963      4.697631
  C      -3.075691     -6.955705      3.563098
  H      -2.158283     -6.969555      5.524297
  H      -1.343512     -5.906862      4.368105
  H      -3.961974     -7.457653      3.971279
  H      -2.456639     -7.704942      3.039933
  H      -6.869760     -6.348216      2.162007
  H      -5.958136     -7.110785      3.473586
  H      -4.875097     -5.597103      1.034230
  H      -4.611760     -7.324054      1.415382
  H      -1.781772     -3.667401      0.790964
  H      -3.357293     -4.230650      0.214528
  H      -1.537050     -5.366378      2.394660
  H      -2.190347     -6.227426      0.979507
  C      -3.790228     -1.994686      1.657074
  C      -2.885925     -1.164157      0.962190
  C      -3.210318      0.157739      0.661722
  C      -4.425793      0.664028      1.098808
  F      -4.713286      1.977365      0.900895
  C      -5.366115     -0.136584      1.748420
  C      -6.569217      0.413304      2.414448
  O      -7.638869     -0.162430      2.497402
  C      -6.423026      1.749313      3.209024
  O      -7.217692      2.648270      3.121808
  C      -5.216800      1.765795      4.198071
  O      -4.377687      0.911351      4.197881
  Cl     -5.226541      3.150057      5.294051
  C      -5.059282     -1.486290      1.961768
  C      -7.144867     -4.672287      4.177266
  C      -8.200730     -5.533671      4.530354
  C      -9.174037     -5.065091      5.427459
  C      -9.078878     -3.802283      6.013230
  F      -9.970914     -3.452078      6.968447
  C      -8.048061     -2.922543      5.655533
  C      -7.553888     -1.687837      6.342248
  O      -8.077354     -0.592972      6.357709
  C      -6.166962     -1.856757      7.090797
  O      -5.717792     -2.873720      7.628645
  C      -5.859285     -0.629898      8.019587
  O      -6.512061     -0.447536      9.000792
  Cl     -4.265875      0.213693      7.800339
  C      -7.196979     -3.378655      4.670241
  C      -3.621219     -5.177886      6.488222
  C      -2.835756     -4.623706      7.518326
  C      -3.269244     -4.655797      8.839427
  C      -4.499374     -5.234404      9.119339
  F      -4.935662     -5.230023     10.403877
  C      -5.304513     -5.808654      8.129427
  C      -6.630170     -6.391123      8.402093
  O      -7.290214     -7.005375      7.573640
  C      -7.266241     -6.259414      9.805293
  O      -7.404001     -7.209421     10.535960
  C      -7.854252     -4.856304     10.110576
  O      -7.962866     -4.001440      9.283792
  Cl     -8.360937     -4.668297     11.802189
  C      -4.837898     -5.777544      6.805181
  H      -1.896486     -1.535037      0.695160
  H      -2.509120      0.808282      0.138753
  H      -5.807716     -2.115199      2.445813
  H      -8.252142     -6.567358      4.188568
  H      -9.989922     -5.717899      5.739514
  H      -6.347272     -2.807665      4.343507
  H      -1.891700     -4.140516      7.263481
  H      -2.685776     -4.212431      9.645966
  H      -5.475241     -6.192174      6.023702
  N      -4.594925     -2.560210      4.948730
  N      -4.927440     -1.716069      5.672575
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.402822716522
  N      -3.426690     -3.291566      2.094007
  C      -2.729358     -4.129238      1.115259
  C      -2.419990     -5.475791      1.740523
  N      -3.542684     -5.912737      2.608311
  C      -4.748627     -6.321676      1.845508
  C      -5.957730     -6.257751      2.761916
  N      -5.947226     -4.987842      3.491101
  Mo     -4.148508     -4.090918      3.783502
  N      -3.160264     -5.140221      5.131052
  C      -2.337937     -6.275695      4.691650
  C      -3.082434     -6.963526      3.556634
  H      -2.167530     -6.980058      5.519358
  H      -1.346736     -5.922480      4.362499
  H      -3.970173     -7.463599      3.963955
  H      -2.465580     -7.714049      3.032658
  H      -6.873669     -6.346863      2.153323
  H      -5.965438     -7.112432      3.465479
  H      -4.877060     -5.600381      1.027620
  H      -4.617785     -7.327517      1.410241
  H      -1.778846     -3.676603      0.787514
  H      -3.356112     -4.234369      0.210643
  H      -1.538260     -5.379462      2.387905
  H      -2.196660     -6.235747      0.972136
  C      -3.779013     -1.998307      1.659282
  C      -2.870978     -1.167941      0.968936
  C      -3.189011      0.157782      0.677896
  C      -4.402011      0.667138      1.118009
  F      -4.683217      1.983116      0.927949
  C      -5.347047     -0.133377      1.761252
  C      -6.554699      0.415085      2.419685
  O      -7.621116     -0.167191      2.502440
  C      -6.423129      1.758314      3.203579
  O      -7.223253      2.651160      3.102852
  C      -5.225278      1.791019      4.201059
  O      -4.375662      0.947179      4.209110
  Cl     -5.258454      3.178514      5.293758
  C      -5.046039     -1.485529      1.965913
  C      -7.146792     -4.673133      4.171390
  C      -8.199019     -5.537885      4.528557
  C      -9.171870     -5.074227      5.427965
  C      -9.079394     -3.811179      6.013161
  F      -9.968914     -3.464873      6.972698
  C      -8.054152     -2.926976      5.651613
  C      -7.571813     -1.690556      6.346132
  O      -8.104371     -0.599646      6.362869
  C      -6.201060     -1.862649      7.109653
  O      -5.772855     -2.891716      7.630031
  C      -5.879697     -0.624914      8.020524
  O      -6.530889     -0.432256      9.001328
  Cl     -4.289898      0.215198      7.793465
  C      -7.203385     -3.378443      4.663257
  C      -3.619636     -5.177795      6.480363
  C      -2.832670     -4.616262      7.505921
  C      -3.262177     -4.641328      8.828360
  C      -4.490515     -5.220465      9.115694
  F      -4.922640     -5.210071     10.401500
  C      -5.298350     -5.799471      8.131054
  C      -6.622614     -6.381464      8.410301
  O      -7.287216     -6.996613      7.586392
  C      -7.251268     -6.254872      9.818774
  O      -7.373924     -7.208239     10.547550
  C      -7.847799     -4.857793     10.133939
  O      -7.972475     -4.000174      9.312466
  Cl     -8.347147     -4.684099     11.830026
  C      -4.835513     -5.775564      6.804911
  H      -1.883371     -1.541764      0.699209
  H      -2.484830      0.808524      0.159191
  H      -5.798759     -2.115163      2.442255
  H      -8.247009     -6.571804      4.186918
  H      -9.983938     -5.730537      5.742561
  H      -6.363278     -2.794565      4.334377
  H      -1.889243     -4.134715      7.245596
  H      -2.676552     -4.193361      9.630836
  H      -5.474602     -6.196934      6.028423
  N      -4.597511     -2.559747      4.936143
  N      -4.924004     -1.707194      5.649495
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.407841933375
  N      -3.421679     -3.297546      2.091608
  C      -2.727373     -4.136489      1.111764
  C      -2.422629     -5.484939      1.735745
  N      -3.546704     -5.917908      2.603852
  C      -4.753407     -6.324253      1.840158
  C      -5.963652     -6.257317      2.754985
  N      -5.951343     -4.987499      3.485081
  Mo     -4.151309     -4.096443      3.777907
  N      -3.161843     -5.145327      5.124757
  C      -2.344559     -6.285605      4.687566
  C      -3.090580     -6.970853      3.551958
  H      -2.178658     -6.989672      5.516430
  H      -1.351149     -5.937786      4.359105
  H      -3.980089     -7.468573      3.958299
  H      -2.475940     -7.723045      3.027754
  H      -6.878628     -6.344148      2.144563
  H      -5.974709     -7.112450      3.457908
  H      -4.879123     -5.603650      1.021219
  H      -4.624784     -7.330875      1.405936
  H      -1.775379     -3.686679      0.784326
  H      -3.354321     -4.238822      0.206928
  H      -1.539925     -5.392974      2.382413
  H      -2.203276     -6.245086      0.966385
  C      -3.766845     -2.001397      1.660521
  C      -2.854686     -1.171609      0.974857
  C      -3.165826      0.157771      0.692464
  C      -4.376561      0.670592      1.134475
  F      -4.651091      1.989054      0.951524
  C      -5.326870     -0.129438      1.770989
  C      -6.539409      0.417940      2.420604
  O      -7.602617     -0.170754      2.503305
  C      -6.422469      1.768640      3.192771
  O      -7.227263      2.655648      3.077659
  C      -5.233542      1.817613      4.199263
  O      -4.374012      0.984163      4.216995
  Cl     -5.290386      3.208785      5.287556
  C      -5.031914     -1.483841      1.967963
  C      -7.149775     -4.671016      4.164839
  C      -8.198667     -5.538602      4.526113
  C      -9.171902     -5.079222      5.426708
  C      -9.082569     -3.815245      6.009955
  F      -9.970081     -3.471157      6.972591
  C      -8.062377     -2.927328      5.644332
  C      -7.592928     -1.689286      6.346913
  O      -8.133548     -0.601955      6.364493
  C      -6.239740     -1.865817      7.127655
  O      -5.826242     -2.906513      7.628460
  C      -5.905569     -0.622316      8.023606
  O      -6.555742     -0.421254      9.003985
  Cl     -4.320091      0.216763      7.789487
  C      -7.210629     -3.374766      4.654564
  C      -3.618123     -5.176558      6.474863
  C      -2.829900     -4.608418      7.496096
  C      -3.255423     -4.627812      8.819908
  C      -4.481232     -5.208880      9.114381
  F      -4.908691     -5.194299     10.401679
  C      -5.291516     -5.792567      8.134568
  C      -6.613203     -6.376639      8.420548
  O      -7.282661     -6.991415      7.600368
  C      -7.231484     -6.260448      9.835139
  O      -7.337496     -7.219318     10.559109
  C      -7.839030     -4.871867     10.164549
  O      -7.974716     -4.007394      9.352257
  Cl     -8.318038     -4.712523     11.868534
  C      -4.832914     -5.773256      6.806691
  H      -1.868843     -1.548680      0.703064
  H      -2.458139      0.808262      0.178222
  H      -5.789286     -2.113758      2.436430
  H      -8.243057     -6.572897      4.185061
  H      -9.980399     -5.738790      5.743588
  H      -6.379602     -2.778988      4.323436
  H      -1.887260     -4.127901      7.230925
  H      -2.667734     -4.175648      9.618559
  H      -5.473425     -6.201015      6.034793
  N      -4.598681     -2.558159      4.921602
  N      -4.920093     -1.696831      5.623753
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.412450904436
  N      -3.417124     -3.303284      2.088413
  C      -2.726698     -4.144107      1.107081
  C      -2.426443     -5.494633      1.729717
  N      -3.551447     -5.923549      2.599044
  C      -4.759455     -6.327257      1.835123
  C      -5.970406     -6.256735      2.749152
  N      -5.955405     -4.986764      3.480053
  Mo     -4.153325     -4.101957      3.772332
  N      -3.162283     -5.150139      5.119071
  C      -2.350645     -6.295672      4.683225
  C      -3.098918     -6.978355      3.547204
  H      -2.189165     -6.999663      5.513021
  H      -1.355034     -5.953595      4.355215
  H      -3.990113     -7.473449      3.953071
  H      -2.486763     -7.732406      3.022742
  H      -6.884912     -6.341040      2.137635
  H      -5.984673     -7.112134      3.451630
  H      -4.882767     -5.607359      1.015182
  H      -4.633526     -7.334686      1.401922
  H      -1.773394     -3.697346      0.779199
  H      -3.354506     -4.243674      0.202506
  H      -1.542356     -5.407029      2.375088
  H      -2.211704     -6.255136      0.959408
  C      -3.755055     -2.004177      1.660939
  C      -2.838785     -1.175115      0.979822
  C      -3.142688      0.157871      0.706087
  C      -4.351073      0.674371      1.150018
  F      -4.618690      1.995236      0.974258
  C      -5.306731     -0.125077      1.779721
  C      -6.524046      0.421222      2.420399
  O      -7.583994     -0.173836      2.503717
  C      -6.421469      1.779354      3.180242
  O      -7.230381      2.660659      3.050485
  C      -5.241931      1.844549      4.196334
  O      -4.372614      1.021733      4.224606
  Cl     -5.323344      3.239178      5.279755
  C      -5.018001     -1.481675      1.969163
  C      -7.152215     -4.667917      4.160385
  C      -8.197171     -5.538541      4.526694
  C      -9.170577     -5.083697      5.428865
  C      -9.084742     -3.818410      6.009238
  F      -9.969262     -3.476052      6.975590
  C      -8.070193     -2.926668      5.638221
  C      -7.613835     -1.687497      6.348518
  O      -8.161678     -0.603445      6.367290
  C      -6.278087     -1.869162      7.146993
  O      -5.872788     -2.920473      7.625778
  C      -5.932678     -0.625001      8.032169
  O      -6.582173     -0.418675      9.012555
  Cl     -4.353183      0.216288      7.790442
  C      -7.217093     -3.369873      4.647434
  C      -3.614026     -5.174952      6.470562
  C      -2.824669     -4.600260      7.487253
  C      -3.246790     -4.613713      8.812376
  C      -4.470201     -5.196396      9.113600
  F      -4.893297     -5.177371     10.402316
  C      -5.282555     -5.785404      8.138505
  C      -6.601687     -6.371763      8.430744
  O      -7.275593     -6.985797      7.613625
  C      -7.210551     -6.264726      9.849968
  O      -7.298472     -7.227021     10.571878
  C      -7.830853     -4.884665     10.189349
  O      -7.989679     -4.020906      9.380520
  Cl     -8.310111     -4.742502     11.895167
  C      -4.827642     -5.770681      6.809406
  H      -1.854822     -1.555615      0.705812
  H      -2.431309      0.807865      0.196320
  H      -5.780100     -2.111532      2.429914
  H      -8.237662     -6.573259      4.186384
  H      -9.974892     -5.746901      5.748701
  H      -6.395190     -2.762613      4.313278
  H      -1.882917     -4.120440      7.217578
  H      -2.657315     -4.157106      9.607204
  H      -5.469336     -6.204421      6.041740
  N      -4.596659     -2.556543      4.906628
  N      -4.913491     -1.686763      5.597838
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.416584502500
  N      -3.412431     -3.308580      2.085969
  C      -2.726111     -4.151965      1.103660
  C      -2.431410     -5.504639      1.725190
  N      -3.557771     -5.929095      2.595229
  C      -4.766814     -6.329664      1.830672
  C      -5.978884     -6.254601      2.743248
  N      -5.960618     -4.984448      3.474643
  Mo     -4.156103     -4.106865      3.767396
  N      -3.164587     -5.154260      5.115352
  C      -2.359287     -6.305402      4.680789
  C      -3.109596     -6.985312      3.544079
  H      -2.203143     -7.009588      5.511441
  H      -1.361125     -5.969622      4.353864
  H      -4.002895     -7.477262      3.949165
  H      -2.499836     -7.741565      3.019985
  H      -6.892767     -6.335760      2.130373
  H      -5.997197     -7.110071      3.445475
  H      -4.886913     -5.610440      1.009646
  H      -4.643907     -7.337994      1.398682
  H      -1.771135     -3.708854      0.775650
  H      -3.354548     -4.248559      0.199181
  H      -1.546250     -5.421730      2.369716
  H      -2.221324     -6.265626      0.954091
  C      -3.741926     -2.006516      1.661589
  C      -2.820093     -1.178868      0.986178
  C      -3.115481      0.157717      0.720395
  C      -4.322009      0.678594      1.164193
  F      -4.581804      2.001815      0.994895
  C      -5.284349     -0.119673      1.785631
  C      -6.507147      0.426248      2.414952
  O      -7.564058     -0.174773      2.498561
  C      -6.419253      1.792113      3.161015
  O      -7.231055      2.668166      3.014352
  C      -5.250901      1.873732      4.188587
  O      -4.372211      1.061577      4.229769
  Cl     -5.358805      3.272184      5.265693
  C      -5.002816     -1.478475      1.968613
  C      -7.155963     -4.662344      4.155214
  C      -8.196915     -5.536011      4.526419
  C      -9.171406     -5.085323      5.428956
  C      -9.090157     -3.818169      6.005197
  F      -9.972948     -3.476387      6.973500
  C      -8.081098     -2.922764      5.628822
  C      -7.638151     -1.682135      6.345237
  O      -8.192055     -0.600804      6.362779
  C      -6.320072     -1.867932      7.163344
  O      -5.918941     -2.927992      7.620379
  C      -5.966727     -0.625668      8.040972
  O      -6.617526     -0.415387      9.020302
  Cl     -4.394749      0.219883      7.791563
  C      -7.225081     -3.362150      4.638576
  C      -3.611289     -5.172708      6.468411
  C      -2.821174     -4.591224      7.480478
  C      -3.239896     -4.599939      8.806987
  C      -4.459743     -5.186604      9.114734
  F      -4.878184     -5.164826     10.405022
  C      -5.273407     -5.781836      8.144253
  C      -6.588296     -6.374354      8.443035
  O      -7.266051     -6.986830      7.627699
  C      -7.184125     -6.282642      9.867840
  O      -7.253073     -7.250388     10.584629
  C      -7.821675     -4.914329     10.220576
  O      -7.985956     -4.042755      9.421328
  Cl     -8.269569     -4.780707     11.935683
  C      -4.822955     -5.769107      6.813858
  H      -1.837907     -1.563477      0.711315
  H      -2.399203      0.806581      0.216075
  H      -5.770707     -2.107521      2.420734
  H      -8.233064     -6.571267      4.187259
  H      -9.971678     -5.752122      5.751355
  H      -6.412105     -2.743946      4.301602
  H      -1.880786     -4.111058      7.206620
  H      -2.649137     -4.138607      9.598141
  H      -5.465074     -6.209251      6.050105
  N      -4.594357     -2.553382      4.891648
  N      -4.907597     -1.674741      5.570852
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.420293768550
  N      -3.408659     -3.314130      2.082793
  C      -2.727704     -4.159842      1.098479
  C      -2.438090     -5.514910      1.717953
  N      -3.564790     -5.935457      2.589686
  C      -4.775597     -6.332538      1.825715
  C      -5.987711     -6.253039      2.738121
  N      -5.965053     -4.983050      3.470362
  Mo     -4.157775     -4.113006      3.762208
  N      -3.164525     -5.159771      5.110478
  C      -2.366447     -6.316476      4.675733
  C      -3.119871     -6.993033      3.538710
  H      -2.215191     -7.021498      5.506619
  H      -1.365905     -5.987135      4.349299
  H      -4.014907     -7.481896      3.943758
  H      -2.512894     -7.751403      3.014381
  H      -6.901730     -6.330629      2.124968
  H      -6.009325     -7.108851      3.439818
  H      -4.893334     -5.613621      1.004046
  H      -4.656282     -7.341622      1.394416
  H      -1.771340     -3.720454      0.769440
  H      -3.357818     -4.253013      0.194763
  H      -1.551231     -5.437008      2.360794
  H      -2.233438     -6.275958      0.945437
  C      -3.729845     -2.008918      1.662320
  C      -2.802350     -1.182543      0.992933
  C      -3.089023      0.157683      0.735793
  C      -4.293592      0.682901      1.179898
  F      -4.545370      2.008483      1.017675
  C      -5.262584     -0.114234      1.792831
  C      -6.490471      0.431396      2.411296
  O      -7.544536     -0.175190      2.495461
  C      -6.416735      1.804625      3.143469
  O      -7.230676      2.675735      2.979613
  C      -5.260533      1.902097      4.183308
  O      -4.372756      1.100818      4.237906
  Cl     -5.395803      3.303831      5.253960
  C      -4.988498     -1.475382      1.968674
  C      -7.158049     -4.658029      4.152884
  C      -8.193858     -5.535628      4.529925
  C      -9.168778     -5.090119      5.433896
  C      -9.092710     -3.821150      6.005890
  F      -9.972670     -3.480864      6.977471
  C      -8.090487     -2.921136      5.623095
  C      -7.660459     -1.679410      6.344907
  O      -8.219683     -0.600444      6.361162
  C      -6.358646     -1.868981      7.181675
  O      -5.956645     -2.936767      7.615675
  C      -6.000090     -0.631308      8.056210
  O      -6.652617     -0.420006      9.034850
  Cl     -4.437340      0.220546      7.798460
  C      -7.231502     -3.355834      4.632834
  C      -3.604806     -5.171619      6.465563
  C      -2.813543     -4.582532      7.472104
  C      -3.228862     -4.584847      8.800006
  C      -4.445710     -5.173804      9.114724
  F      -4.859862     -5.147069     10.406388
  C      -5.260847     -5.776248      8.149691
  C      -6.572484     -6.372274      8.455447
  O      -7.254974     -6.982851      7.642487
  C      -7.157938     -6.288859      9.884110
  O      -7.205907     -7.256546     10.603032
  C      -7.808978     -4.928373     10.241575
  O      -8.007749     -4.066941      9.438904
  Cl     -8.276932     -4.812883     11.952393
  C      -4.814510     -5.768175      6.818116
  H      -1.822092     -1.571311      0.716840
  H      -2.367771      0.805441      0.237175
  H      -5.762143     -2.103428      2.412255
  H      -8.225230     -6.571311      4.191659
  H      -9.964004     -5.761286      5.759654
  H      -6.428145     -2.726342      4.292420
  H      -1.874726     -4.102057      7.193436
  H      -2.636756     -4.117943      9.586878
  H      -5.457437     -6.214425      6.058533
  N      -4.589124     -2.551538      4.877959
  N      -4.898906     -1.664894      5.546019
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.423687392657
  N      -3.404831     -3.319574      2.080970
  C      -2.729252     -4.167781      1.095084
  C      -2.445591     -5.525159      1.712615
  N      -3.573075     -5.941601      2.585273
  C      -4.785280     -6.334733      1.821482
  C      -5.997689     -6.250267      2.733101
  N      -5.970300     -4.980554      3.465974
  Mo     -4.160263     -4.118946      3.757881
  N      -3.166272     -5.165062      5.107073
  C      -2.375779     -6.327256      4.672346
  C      -3.131991     -7.000193      3.534844
  H      -2.230124     -7.033416      5.503326
  H      -1.372608     -6.004670      4.346973
  H      -4.029045     -7.485682      3.939560
  H      -2.527656     -7.760912      3.010790
  H      -6.911642     -6.323871      2.119350
  H      -6.023144     -7.106404      3.434262
  H      -4.900015     -5.616040      0.999152
  H      -4.669738     -7.344605      1.390943
  H      -1.771154     -3.732596      0.765433
  H      -3.360693     -4.257261      0.191869
  H      -1.557449     -5.452578      2.354346
  H      -2.246095     -6.286185      0.938706
  C      -3.716740     -2.011213      1.664054
  C      -2.782092     -1.186712      1.002076
  C      -3.059178      0.156993      0.752565
  C      -4.262423      0.687077      1.194669
  F      -4.505507      2.014902      1.038302
  C      -5.239224     -0.108190      1.797939
  C      -6.472516      0.438324      2.403612
  O      -7.524235     -0.173001      2.487853
  C      -6.412613      1.819063      3.120777
  O      -7.227115      2.685918      2.937582
  C      -5.270191      1.932130      4.174120
  O      -4.374514      1.141057      4.243957
  Cl     -5.433034      3.337863      5.236575
  C      -4.973355     -1.471717      1.967735
  C      -7.161070     -4.652173      4.150061
  C      -8.191691     -5.533836      4.532582
  C      -9.167954     -5.093166      5.436765
  C      -9.098254     -3.821941      6.003642
  F      -9.977162     -3.482564      6.976646
  C      -8.102875     -2.917226      5.615033
  C      -7.686169     -1.673416      6.340778
  O      -8.249633     -0.596223      6.352395
  C      -6.400525     -1.864855      7.197789
  O      -5.994882     -2.938354      7.610452
  C      -6.039981     -0.631214      8.071158
  O      -6.695764     -0.418497      9.047953
  Cl     -4.486976      0.227002      7.804744
  C      -7.239339     -3.347801      4.625981
  C      -3.600680     -5.170261      6.463925
  C      -2.809177     -4.572504      7.464883
  C      -3.221546     -4.569036      8.794047
  C      -4.434233     -5.162925      9.115526
  F      -4.844241     -5.132350     10.408552
  C      -5.249369     -5.774435      8.155936
  C      -6.555819     -6.378809      8.468218
  O      -7.240610     -6.989013      7.656697
  C      -7.129379     -6.309831      9.901394
  O      -7.157977     -7.280244     10.617788
  C      -7.803966     -4.962464     10.264219
  O      -8.000700     -4.094887      9.467538
  Cl     -8.236673     -4.843641     11.983590
  C      -4.807425     -5.769156      6.823105
  H      -1.803543     -1.580160      0.726365
  H      -2.331925      0.803110      0.260583
  H      -5.753572     -2.098078      2.402083
  H      -8.217850     -6.570042      4.195602
  H      -9.958340     -5.768609      5.765407
  H      -6.445621     -2.707174      4.282601
  H      -1.872603     -4.090393      7.181569
  H      -2.629138     -4.095577      9.576769
  H      -5.449981     -6.222695      6.067500
  N      -4.584788     -2.548562      4.865400
  N      -4.891500     -1.653431      5.520974
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.426811687816
  N      -3.401342     -3.325517      2.078867
  C      -2.731978     -4.175628      1.090448
  C      -2.454106     -5.535589      1.705095
  N      -3.581971     -5.948375      2.578962
  C      -4.795951     -6.336992      1.815840
  C      -6.007976     -6.247795      2.727407
  N      -5.975036     -4.978776      3.461534
  Mo     -4.162123     -4.126367      3.752967
  N      -3.166687     -5.172195      5.101882
  C      -2.384585     -6.339871      4.666373
  C      -3.144229     -7.008379      3.528446
  H      -2.244464     -7.047732      5.496936
  H      -1.378805     -6.024335      4.341848
  H      -4.043134     -7.490567      3.933091
  H      -2.542923     -7.771364      3.004110
  H      -6.922259     -6.316931      2.113613
  H      -6.036911     -7.104689      3.427508
  H      -4.908021     -5.618067      0.993297
  H      -4.684578     -7.347426      1.385452
  H      -1.772264     -3.744770      0.759711
  H      -3.365349     -4.260730      0.188095
  H      -1.564405     -5.468852      2.345340
  H      -2.260119     -6.296035      0.929183
  C      -3.703738     -2.013691      1.666501
  C      -2.761468     -1.190884      1.012969
  C      -3.028878      0.156224      0.771399
  C      -4.230978      0.691034      1.211139
  F      -4.465294      2.021047      1.060540
  C      -5.215715     -0.102292      1.804364
  C      -6.453934      0.445562      2.397625
  O      -7.503621     -0.169871      2.482143
  C      -6.407097      1.833672      3.099478
  O      -7.221072      2.696627      2.896025
  C      -5.279903      1.961610      4.167351
  O      -4.376925      1.180640      4.252997
  Cl     -5.471084      3.370698      5.221524
  C      -4.958298     -1.468285      1.967481
  C      -7.162955     -4.647679      4.148381
  C      -8.187622     -5.534199      4.536628
  C      -9.165088     -5.099256      5.441387
  C      -9.102403     -3.825915      6.003329
  F      -9.980479     -3.488371      6.977931
  C      -8.114840     -2.915753      5.608864
  C      -7.711401     -1.669929      6.338472
  O      -8.278143     -0.594113      6.344118
  C      -6.441203     -1.862625      7.214925
  O      -6.028752     -2.940075      7.606224
  C      -6.082072     -0.633815      8.090679
  O      -6.741806     -0.421276      9.065404
  Cl     -4.539357      0.232284      7.815963
  C      -7.246476     -3.341357      4.620695
  C      -3.594705     -5.170282      6.460648
  C      -2.802819     -4.562274      7.454952
  C      -3.211609     -4.551184      8.785401
  C      -4.420107     -5.149099      9.114839
  F      -4.826253     -5.112043     10.408991
  C      -5.235397     -5.770972      8.162002
  C      -6.537100     -6.381136      8.482623
  O      -7.226460     -6.990747      7.674402
  C      -7.098747     -6.320652      9.920365
  O      -7.103841     -7.289073     10.639944
  C      -7.790314     -4.982558     10.285563
  O      -8.012916     -4.124036      9.485702
  Cl     -8.229922     -4.873285     12.003196
  C      -4.798220     -5.771330      6.827625
  H      -1.784568     -1.588996      0.737937
  H      -2.295456      0.800801      0.286609
  H      -5.745062     -2.092858      2.392485
  H      -8.208118     -6.570793      4.200633
  H      -9.950109     -5.779424      5.773080
  H      -6.463019     -2.689030      4.274232
  H      -1.868944     -4.078439      7.165790
  H      -2.618865     -4.069805      9.563025
  H      -5.440963     -6.232600      6.076861
  N      -4.579239     -2.547305      4.854127
  N      -4.882783     -1.644192      5.497844
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.429667866262
  N      -3.398257     -3.331926      2.077015
  C      -2.735761     -4.183443      1.085237
  C      -2.463268     -5.546133      1.696410
  N      -3.591152     -5.955579      2.571883
  C      -4.807303     -6.339431      1.809921
  C      -6.018389     -6.245683      2.722171
  N      -5.979347     -4.977534      3.457952
  Mo     -4.163407     -4.134896      3.748143
  N      -3.166080     -5.180570      5.095798
  C      -2.392737     -6.353725      4.659261
  C      -3.156213     -7.017294      3.520854
  H      -2.258193     -7.063604      5.489119
  H      -1.384345     -6.045448      4.335549
  H      -4.056812     -7.496281      3.925641
  H      -2.558249     -7.782472      2.995793
  H      -6.933353     -6.310162      2.108860
  H      -6.050370     -7.103602      3.420883
  H      -4.917087     -5.620067      0.987400
  H      -4.700366     -7.350289      1.379334
  H      -1.774664     -3.756870      0.752833
  H      -3.371629     -4.263791      0.184127
  H      -1.571742     -5.485486      2.334759
  H      -2.275052     -6.305665      0.918139
  C      -3.691083     -2.016366      1.669957
  C      -2.740808     -1.195089      1.025867
  C      -2.998677      0.155233      0.792140
  C      -4.199963      0.694516      1.228822
  F      -4.425650      2.026578      1.083541
  C      -5.192666     -0.096786      1.811794
  C      -6.435321      0.452823      2.393124
  O      -7.483220     -0.166167      2.478439
  C      -6.400560      1.848219      3.079346
  O      -7.212801      2.707727      2.854798
  C      -5.289331      1.990368      4.161863
  O      -4.379953      1.218974      4.263613
  Cl     -5.508216      3.402688      5.207199
  C      -4.943672     -1.465222      1.967985
  C      -7.163832     -4.644171      4.148806
  C      -8.182029     -5.535944      4.543192
  C      -9.160331     -5.107169      5.449077
  C      -9.104901     -3.831721      6.006137
  F      -9.981946     -3.496554      6.982817
  C      -8.125974     -2.915715      5.605345
  C      -7.735715     -1.667326      6.337994
  O      -8.304763     -0.592521      6.335655
  C      -6.480110     -1.859947      7.233238
  O      -6.057514     -2.940196      7.604379
  C      -6.125566     -0.635224      8.112788
  O      -6.789315     -0.422544      9.085083
  Cl     -4.592608      0.238727      7.829007
  C      -7.252875     -3.336021      4.617744
  C      -3.588124     -5.170844      6.456248
  C      -2.797152     -4.550237      7.443354
  C      -3.203349     -4.529607      8.774668
  C      -4.407446     -5.131904      9.112274
  F      -4.810801     -5.086209     10.407066
  C      -5.221232     -5.766983      8.166762
  C      -6.517724     -6.383957      8.495265
  O      -7.209514     -6.996181      7.691050
  C      -7.070188     -6.329416      9.936495
  O      -7.052960     -7.294457     10.660318
  C      -7.787249     -5.003464     10.296975
  O      -8.023607     -4.152041      9.493298
  Cl     -8.223880     -4.892786     12.014621
  C      -4.787686     -5.775114      6.831280
  H      -1.765356     -1.597750      0.752131
  H      -2.258986      0.798404      0.315072
  H      -5.736797     -2.088000      2.383696
  H      -8.196649     -6.572886      4.208167
  H      -9.939535     -5.792259      5.784316
  H      -6.480278     -2.671823      4.268015
  H      -1.866634     -4.063788      7.147894
  H      -2.611543     -4.038199      9.546721
  H      -5.429776     -6.245717      6.085758
  N      -4.572826     -2.547589      4.844543
  N      -4.872890     -1.636698      5.476596
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.432287125069
  N      -3.394806     -3.338580      2.075659
  C      -2.739129     -4.191177      1.080358
  C      -2.472459     -5.556749      1.687791
  N      -3.600874     -5.962780      2.564274
  C      -4.819022     -6.341354      1.802937
  C      -6.029364     -6.243051      2.715613
  N      -5.984099     -4.975974      3.453443
  Mo     -4.165088     -4.143913      3.743046
  N      -3.166391     -5.189788      5.089044
  C      -2.402226     -6.368604      4.651834
  C      -3.169317     -7.026672      3.512518
  H      -2.273925     -7.080598      5.480949
  H      -1.391023     -6.067960      4.329422
  H      -4.071883     -7.502291      3.917000
  H      -2.574881     -7.794066      2.986629
  H      -6.944864     -6.302503      2.102587
  H      -6.064709     -7.102200      3.412613
  H      -4.926025     -5.621304      0.980604
  H      -4.716591     -7.352494      1.371896
  H      -1.776549     -3.768995      0.746528
  H      -3.377299     -4.266349      0.180362
  H      -1.579436     -5.502569      2.324669
  H      -2.289783     -6.315165      0.907090
  C      -3.677369     -2.019067      1.674347
  C      -2.718084     -1.199508      1.041307
  C      -2.966011      0.153935      0.815228
  C      -4.167007      0.697743      1.247304
  F      -4.383661      2.031821      1.107269
  C      -5.168407     -0.091232      1.818851
  C      -6.415355      0.460798      2.387695
  O      -7.461926     -0.160933      2.473569
  C      -6.391980      1.863541      3.057690
  O      -7.200993      2.720038      2.810596
  C      -5.298305      2.019149      4.155876
  O      -4.383738      1.256548      4.274676
  Cl     -5.544704      3.434628      5.191483
  C      -4.928165     -1.462088      1.968182
  C      -7.165135     -4.640615      4.148478
  C      -8.176866     -5.537746      4.548553
  C      -9.156544     -5.115225      5.454954
  C      -9.108868     -3.837668      6.007069
  F      -9.986244     -3.504692      6.984518
  C      -8.138473     -2.915917      5.600545
  C      -7.761605     -1.664802      6.335735
  O      -8.331850     -0.590568      6.323286
  C      -6.520778     -1.856410      7.249531
  O      -6.086430     -2.936904      7.602494
  C      -6.174940     -0.635451      8.134250
  O      -6.843713     -0.422511      9.103101
  Cl     -4.650721      0.246700      7.842333
  C      -7.260146     -3.330735      4.613979
  C      -3.583291     -5.171590      6.450855
  C      -2.794015     -4.536470      7.430038
  C      -3.197296     -4.505459      8.762094
  C      -4.395918     -5.113461      9.108758
  F      -4.796795     -5.057791     10.403889
  C      -5.207467     -5.763452      8.171443
  C      -6.497693     -6.387732      8.509655
  O      -7.193168     -7.003170      7.711044
  C      -7.037746     -6.340345      9.955660
  O      -6.993884     -7.301696     10.683206
  C      -7.775785     -5.026145     10.317143
  O      -8.029979     -4.180888      9.512240
  Cl     -8.206327     -4.919031     12.036043
  C      -4.778067     -5.780128      6.834664
  H      -1.743752     -1.606856      0.770326
  H      -2.219409      0.795688      0.347103
  H      -5.727894     -2.082908      2.374067
  H      -8.185313     -6.575011      4.214538
  H      -9.930160     -5.805093      5.793271
  H      -6.498508     -2.654559      4.261306
  H      -1.867503     -4.046789      7.127457
  H      -2.607076     -4.002496      9.527900
  H      -5.419147     -6.261559      6.095170
  N      -4.567428     -2.548784      4.835668
  N      -4.863979     -1.630251      5.456110
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.434695125915
  N      -3.391970     -3.345734      2.074087
  C      -2.743797     -4.198711      1.074226
  C      -2.482087     -5.567377      1.677135
  N      -3.610319     -5.970532      2.555389
  C      -4.831093     -6.343652      1.795467
  C      -6.039993     -6.241367      2.709621
  N      -5.988215     -4.975638      3.450035
  Mo     -4.165881     -4.154210      3.737824
  N      -3.164888     -5.200772      5.080713
  C      -2.410211     -6.385184      4.642400
  C      -3.181379     -7.037151      3.502085
  H      -2.288054     -7.099479      5.470547
  H      -1.396323     -6.092202      4.321079
  H      -4.085636     -7.509692      3.906497
  H      -2.590821     -7.806410      2.974510
  H      -6.956487     -6.295734      2.097592
  H      -6.077943     -7.102055      3.404545
  H      -4.936049     -5.622656      0.973655
  H      -4.733386     -7.354885      1.363521
  H      -1.780230     -3.780437      0.738211
  H      -3.385066     -4.268472      0.175920
  H      -1.587121     -5.519753      2.311845
  H      -2.305417     -6.324332      0.893612
  C      -3.664680     -2.021998      1.679654
  C      -2.696477     -1.203729      1.058487
  C      -2.934812      0.152755      0.840790
  C      -4.135679      0.700542      1.268414
  F      -4.343528      2.036591      1.134511
  C      -5.145543     -0.086416      1.828142
  C      -6.396216      0.467892      2.385633
  O      -7.441519     -0.156351      2.472755
  C      -6.383264      1.877706      3.039441
  O      -7.188182      2.731438      2.769860
  C      -5.307281      2.045990      4.152797
  O      -4.388362      1.291577      4.288343
  Cl     -5.579844      3.464394      5.178435
  C      -4.913743     -1.459674      1.969747
  C      -7.165123     -4.639005      4.150829
  C      -8.169936     -5.541699      4.556997
  C      -9.150172     -5.126008      5.465107
  C      -9.110026     -3.846628      6.012878
  F      -9.986493     -3.516634      6.992513
  C      -8.148844     -2.918829      5.599973
  C      -7.785020     -1.664737      6.337012
  O      -8.355863     -0.590858      6.313558
  C      -6.557885     -1.854054      7.268222
  O      -6.108764     -2.934221      7.603988
  C      -6.223031     -0.635729      8.157913
  O      -6.895954     -0.421630      9.123463
  Cl     -4.706662      0.254104      7.856484
  C      -7.266124     -3.327616      4.613515
  C      -3.576586     -5.173366      6.443744
  C      -2.790014     -4.521358      7.413986
  C      -3.191052     -4.477547      8.746397
  C      -4.384212     -5.090740      9.102798
  F      -4.783339     -5.022199     10.397773
  C      -5.192342     -5.758303      8.174696
  C      -6.476515     -6.389197      8.522516
  O      -7.174378     -7.010162      7.730140
  C      -7.008251     -6.342242      9.971238
  O      -6.941495     -7.297139     10.705456
  C      -7.774364     -5.041749     10.323607
  O      -8.043127     -4.206448      9.512954
  Cl     -8.210582     -4.933127     12.040648
  C      -4.765959     -5.786526      6.837191
  H      -1.723115     -1.615429      0.790400
  H      -2.181458      0.793537      0.382259
  H      -5.719594     -2.078909      2.365854
  H      -8.172269     -6.579163      4.223710
  H      -9.917621     -5.820920      5.807095
  H      -6.516095     -2.639480      4.257660
  H      -1.868118     -4.027993      7.103446
  H      -2.603345     -3.960974      9.505048
  H      -5.405584     -6.280272      6.104523
  N      -4.561041     -2.552520      4.828318
  N      -4.853507     -1.626799      5.437978
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.436910611368
  N      -3.388339     -3.352879      2.073094
  C      -2.747214     -4.206189      1.069039
  C      -2.491340     -5.578006      1.667490
  N      -3.620282     -5.977963      2.546483
  C      -4.843202     -6.345070      1.786977
  C      -6.051244     -6.238701      2.701786
  N      -5.993258     -4.974500      3.444989
  Mo     -4.167621     -4.164291      3.732285
  N      -3.165334     -5.211977      5.072199
  C      -2.420621     -6.402383      4.633612
  C      -3.195189     -7.047747      3.491642
  H      -2.305753     -7.118796      5.461029
  H      -1.403719     -6.117589      4.314197
  H      -4.101653     -7.516878      3.895171
  H      -2.608535     -7.818959      2.962562
  H      -6.968313     -6.287686      2.090157
  H      -6.092446     -7.101000      3.394462
  H      -4.945266     -5.622959      0.965747
  H      -4.750163     -7.356316      1.354040
  H      -1.782396     -3.791962      0.731509
  H      -3.390990     -4.270293      0.172039
  H      -1.595058     -5.537217      2.300864
  H      -2.320188     -6.333475      0.881307
  C      -3.650332     -2.024874      1.685668
  C      -2.672180     -1.208277      1.077951
  C      -2.900441      0.151117      0.868174
  C      -4.101641      0.703134      1.289628
  F      -4.300236      2.041089      1.161519
  C      -5.120721     -0.081365      1.836419
  C      -6.374979      0.475881      2.381962
  O      -7.419450     -0.150147      2.470068
  C      -6.371831      1.892757      3.019128
  O      -7.171059      2.744127      2.725832
  C      -5.315263      2.072995      4.148873
  O      -4.393247      1.325952      4.302356
  Cl     -5.613926      3.494275      5.163523
  C      -4.897829     -1.456993      1.970489
  C      -7.166296     -4.636821      4.151099
  C      -8.164446     -5.544983      4.562533
  C      -9.146034     -5.136015      5.471378
  C      -9.113884     -3.854878      6.014747
  F      -9.991068     -3.527290      6.994799
  C      -8.161378     -2.921329      5.596344
  C      -7.810865     -1.664485      6.334893
  O      -8.381295     -0.590581      6.298796
  C      -6.598262     -1.850947      7.283394
  O      -6.134253     -2.927917      7.604314
  C      -6.278060     -0.634992      8.178528
  O      -6.956281     -0.419373      9.139676
  Cl     -4.768488      0.262951      7.869190
  C      -7.273721     -3.323941      4.610656
  C      -3.572945     -5.174650      6.436009
  C      -2.790249     -4.503804      7.396605
  C      -3.188869     -4.446867      8.729199
  C      -4.375143     -5.067158      9.096087
  F      -4.772827     -4.985274     10.390605
  C      -5.178945     -5.753710      8.177995
  C      -6.455798     -6.392138      8.537266
  O      -7.156354     -7.020071      7.752660
  C      -6.974211     -6.350262      9.990658
  O      -6.877009     -7.298955     10.729628
  C      -7.760985     -5.062898     10.345486
  O      -8.047522     -4.232951      9.535375
  Cl     -8.187362     -4.958222     12.065114
  C      -4.755979     -5.793660      6.839660
  H      -1.699502     -1.624583      0.814334
  H      -2.139673      0.790706      0.420350
  H      -5.710139     -2.074364      2.356187
  H      -8.160402     -6.582641      4.230073
  H      -9.907787     -5.835761      5.816184
  H      -6.535010     -2.623880      4.252065
  H      -1.873689     -4.006001      7.077508
  H      -2.604520     -3.915316      9.480057
  H      -5.393441     -6.301305      6.114550
  N      -4.556552     -2.556717      4.820929
  N      -4.844855     -1.624035      5.420215
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.438949945253
  N      -3.385569     -3.360472      2.071605
  C      -2.752259     -4.213345      1.062262
  C      -2.501014     -5.588489      1.655378
  N      -3.629590     -5.986033      2.536168
  C      -4.855464     -6.346999      1.778225
  C      -6.061746     -6.237369      2.695025
  N      -5.997422     -4.975030      3.441549
  Mo     -4.168159     -4.175611      3.726743
  N      -3.163248     -5.225224      5.061988
  C      -2.428811     -6.421460      4.622412
  C      -3.207295     -7.059546      3.478744
  H      -2.321051     -7.140193      5.448831
  H      -1.409086     -6.144799      4.304572
  H      -4.115530     -7.525799      3.881694
  H      -2.624773     -7.832137      2.947117
  H      -6.979962     -6.281084      2.084690
  H      -6.105119     -7.101607      3.385098
  H      -4.955733     -5.623483      0.957975
  H      -4.767334     -7.358052      1.343781
  H      -1.786825     -3.802442      0.722321
  H      -3.399518     -4.271706      0.167296
  H      -1.602788     -5.554478      2.286454
  H      -2.335981     -6.342061      0.866059
  C      -3.637654     -2.028000      1.692433
  C      -2.650180     -1.212452      1.098493
  C      -2.869110      0.149732      0.897520
  C      -4.070661      0.705285      1.313603
  F      -4.260612      2.045021      1.191954
  C      -5.098212     -0.077274      1.847677
  C      -6.355412      0.482233      2.383275
  O      -7.398752     -0.145894      2.473641
  C      -6.361360      1.905606      3.004373
  O      -7.154475      2.754682      2.688296
  C      -5.323499      2.097259      4.149191
  O      -4.398946      1.357191      4.319772
  Cl     -5.646522      3.521220      5.152906
  C      -4.883598     -1.455230      1.973139
  C      -7.165813     -4.637199      4.154783
  C      -8.156862     -5.550974      4.571916
  C      -9.138571     -5.149359      5.483208
  C      -9.113854     -3.866931      6.023163
  F      -9.989717     -3.542732      7.005816
  C      -8.170767     -2.927285      5.598461
  C      -7.833101     -1.667390      6.337787
  O      -8.402830     -0.593412      6.288673
  C      -6.633481     -1.849437      7.302576
  O      -6.151659     -2.923588      7.609314
  C      -6.328589     -0.634042      8.201579
  O      -7.010661     -0.415546      9.158893
  Cl     -4.825079      0.270779      7.882375
  C      -7.279466     -3.323105      4.612138
  C      -3.566045     -5.177325      6.426558
  C      -2.788141     -4.485422      7.376172
  C      -3.184917     -4.412920      8.708506
  C      -4.364427     -5.039330      9.086702
  F      -4.761307     -4.941109     10.380184
  C      -5.162906     -5.747253      8.179960
  C      -6.433143     -6.391755      8.550443
  O      -7.135944     -7.027074      7.773531
  C      -6.944245     -6.344823     10.005601
  O      -6.825783     -7.284493     10.752989
  C      -7.761579     -5.073250     10.347343
  O      -8.061044     -4.254640      9.530346
  Cl     -8.201141     -4.967545     12.063571
  C      -4.742193     -5.802160      6.841496
  H      -1.678163     -1.632866      0.838777
  H      -2.101495      0.788615      0.460513
  H      -5.701639     -2.071245      2.348773
  H      -8.146803     -6.588625      4.239762
  H      -9.893920     -5.854305      5.831475
  H      -6.552714     -2.611499      4.250594
  H      -1.877546     -3.982882      7.047602
  H      -2.604712     -3.864515      9.450406
  H      -5.377145     -6.324904      6.124840
  N      -4.550632     -2.563848      4.815100
  N      -4.834051     -1.624850      5.405226
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -7881.560804038195
  N      -3.381612     -3.367814      2.070844
  C      -2.755270     -4.220464      1.057063
  C      -2.510007     -5.598911      1.645211
  N      -3.639559     -5.993538      2.526231
  C      -4.867543     -6.347731      1.768351
  C      -6.072986     -6.234604      2.685819
  N      -6.002897     -4.974256      3.435720
  Mo     -4.170186     -4.186096      3.720862
  N      -3.164134     -5.238073      5.052141
  C      -2.440589     -6.440736      4.612774
  C      -3.221888     -7.071094      3.466543
  H      -2.341554     -7.161487      5.438563
  H      -1.417547     -6.172992      4.297712
  H      -4.132625     -7.534014      3.867746
  H      -2.643292     -7.845265      2.932961
  H      -6.991695     -6.272819      2.075840
  H      -6.119473     -7.100750      3.373227
  H      -4.964812     -5.622663      0.949085
  H      -4.784172     -7.358533      1.332383
  H      -1.788694     -3.813237      0.715845
  H      -3.404967     -4.272878      0.163430
  H      -1.610790     -5.571927      2.275277
  H      -2.350229     -6.350636      0.853058
  C      -3.622692     -2.031019      1.699661
  C      -2.624893     -1.217121      1.120880
  C      -2.833899      0.147687      0.927969
  C      -4.036127      0.707299      1.336872
  F      -4.216866      2.048743      1.221080
  C      -5.072883     -0.072677      1.857245
  C      -6.332804      0.489812      2.382363
  O      -7.375551     -0.139549      2.474675
  C      -6.347177      1.919667      2.986788
  O      -7.132585      2.766754      2.646827
  C      -5.330191      2.122088      4.148309
  O      -4.404224      1.388437      4.337536
  Cl     -5.678103      3.548779      5.139805
  C      -4.867173     -1.452899      1.974529
  C      -7.167205     -4.636473      4.155036
  C      -8.151529     -5.555780      4.576738
  C      -9.134432     -5.161319      5.489120
  C      -9.117739     -3.877641      6.025491
  F      -9.994395     -3.556064      7.008475
  C      -8.183367     -2.932221      5.595664
  C      -7.858893     -1.669666      6.335584
  O      -8.426906     -0.595329      6.272207
  C      -6.673642     -1.847207      7.316626
  O      -6.175352     -2.915372      7.611956
  C      -6.387125     -0.632473      8.219877
  O      -7.074834     -0.411168      9.171969
  Cl     -4.889036      0.280228      7.893529
  C      -7.287622     -3.321114      4.609620
  C      -3.563432     -5.178913      6.416961
  C      -2.791791     -4.464277      7.354956
  C      -3.186715     -4.376486      8.686808
  C      -4.357835     -5.011263      9.076840
  F      -4.754146     -4.897427     10.369083
  C      -5.149993     -5.741393      8.182076
  C      -6.412334     -6.393082      8.565365
  O      -7.116227     -7.038855      7.797961
  C      -6.909189     -6.349560     10.025185
  O      -6.756151     -7.279753     10.778354
  C      -7.745986     -5.092014     10.371364
  O      -8.064137     -4.278462      9.556405
  Cl     -8.171432     -4.990302     12.091475
  C      -4.731784     -5.810857      6.843448
  H      -1.653326     -1.642024      0.866660
  H      -2.058740      0.785382      0.502713
  H      -5.691443     -2.066981      2.339562
  H      -8.135160     -6.593429      4.245028
  H      -9.884015     -5.871250      5.839680
  H      -6.572075     -2.598171      4.245657
  H      -1.887885     -3.956200      7.016605
  H      -2.611633     -3.810254      9.419235
  H      -5.363213     -6.349986      6.135745
  N      -4.547219     -2.570752      4.808679
  N      -4.825733     -1.625860      5.390454
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.442428652201
  N      -3.378066     -3.373861      2.070454
  C      -2.758270     -4.228687      1.054887
  C      -2.519002     -5.608978      1.640899
  N      -3.650080     -5.998745      2.521844
  C      -4.879626     -6.347481      1.763866
  C      -6.084838     -6.229497      2.680985
  N      -6.008788     -4.970012      3.432620
  Mo     -4.173054     -4.192259      3.716355
  N      -3.164906     -5.243509      5.045589
  C      -2.452245     -6.453457      4.608511
  C      -3.236988     -7.078767      3.461612
  H      -2.361294     -7.174403      5.435103
  H      -1.426210     -6.195067      4.295136
  H      -4.150114     -7.537254      3.862488
  H      -2.662654     -7.855628      2.927338
  H      -7.003739     -6.262846      2.070981
  H      -6.134929     -7.096466      3.367011
  H      -4.973460     -5.622080      0.944495
  H      -4.800611     -7.358606      1.327866
  H      -1.790525     -3.825797      0.711784
  H      -3.409963     -4.276952      0.162422
  H      -1.619321     -5.587509      2.270553
  H      -2.363763     -6.360372      0.847544
  C      -3.609179     -2.034173      1.702229
  C      -2.602738     -1.225051      1.131957
  C      -2.801581      0.141880      0.943815
  C      -4.002472      0.707847      1.348310
  F      -4.173355      2.050728      1.235119
  C      -5.047302     -0.066998      1.860694
  C      -6.307951      0.501052      2.377370
  O      -7.350889     -0.127692      2.474902
  C      -6.327059      1.937894      2.963525
  O      -7.103455      2.783683      2.600361
  C      -5.330424      2.150020      4.141008
  O      -4.404030      1.421891      4.348423
  Cl     -5.701018      3.579667      5.119761
  C      -4.851039     -1.449103      1.973128
  C      -7.168728     -4.631185      4.157633
  C      -8.145797     -5.555321      4.586310
  C      -9.129274     -5.166288      5.499546
  C      -9.120437     -3.880297      6.029551
  F      -9.997229     -3.559438      7.012785
  C      -8.195351     -2.929867      5.591990
  C      -7.882458     -1.664353      6.330585
  O      -8.448293     -0.589597      6.253668
  C      -6.711105     -1.837748      7.325646
  O      -6.198593     -2.899500      7.612625
  C      -6.443322     -0.624165      8.232502
  O      -7.136369     -0.400028      9.179509
  Cl     -4.950068      0.296387      7.899274
  C      -7.295711     -3.313578      4.606632
  C      -3.563727     -5.174924      6.409815
  C      -2.803482     -4.436437      7.338574
  C      -3.199060     -4.338809      8.669407
  C      -4.358743     -4.988906      9.068121
  F      -4.755730     -4.866990     10.359308
  C      -5.140205     -5.741360      8.182286
  C      -6.390255     -6.409799      8.575771
  O      -7.091201     -7.066729      7.815055
  C      -6.870465     -6.381605     10.041431
  O      -6.680511     -7.307189     10.792067
  C      -7.728521     -5.143023     10.403087
  O      -8.070182     -4.330566      9.596556
  Cl     -8.135110     -5.057750     12.128721
  C      -4.723076     -5.817847      6.843491
  H      -1.632848     -1.655919      0.881272
  H      -2.020025      0.776392      0.525585
  H      -5.680599     -2.059357      2.332593
  H      -8.122922     -6.593664      4.257350
  H      -9.872649     -5.880555      5.854464
  H      -6.591167     -2.580013      4.238381
  H      -1.907668     -3.918877      6.993170
  H      -2.632673     -3.754891      9.394680
  H      -5.346617     -6.373868      6.142840
  N      -4.543799     -2.572429      4.801074
  N      -4.816452     -1.621601      5.375112
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.443999041926
  N      -3.375828     -3.380644      2.069519
  C      -2.763341     -4.236599      1.051635
  C      -2.528153     -5.619040      1.633449
  N      -3.659201     -6.005384      2.514826
  C      -4.891118     -6.347799      1.757750
  C      -6.095367     -6.227145      2.675510
  N      -6.013150     -4.969398      3.430495
  Mo     -4.173685     -4.201440      3.711205
  N      -3.162120     -5.254640      5.035397
  C      -2.460906     -6.471670      4.599256
  C      -3.249382     -7.090014      3.451037
  H      -2.378315     -7.193776      5.425798
  H      -1.431897     -6.222770      4.287680
  H      -4.164258     -7.545444      3.851289
  H      -2.679263     -7.867970      2.913799
  H      -7.014972     -6.255493      2.066246
  H      -6.147528     -7.095820      3.359105
  H      -4.982730     -5.621013      0.939400
  H      -4.816589     -7.358589      1.320142
  H      -1.795246     -3.836731      0.705858
  H      -3.417847     -4.280188      0.160913
  H      -1.627163     -5.603387      2.261433
  H      -2.378133     -6.368888      0.837612
  C      -3.597049     -2.037341      1.705113
  C      -2.583000     -1.231113      1.144709
  C      -2.773241      0.138193      0.964587
  C      -3.973050      0.708750      1.366584
  F      -4.135065      2.053139      1.259288
  C      -5.024968     -0.062787      1.869806
  C      -6.286527      0.507987      2.380891
  O      -7.328141     -0.122501      2.484608
  C      -6.313028      1.950486      2.951144
  O      -7.081036      2.794143      2.565526
  C      -5.336852      2.173183      4.143574
  O      -4.409556      1.451692      4.368992
  Cl     -5.731491      3.604905      5.110206
  C      -4.836691     -1.446859      1.973987
  C      -7.167758     -4.631411      4.163698
  C      -8.136867     -5.561413      4.598480
  C      -9.119371     -5.180292      5.515414
  C      -9.117739     -3.893430      6.042397
  F      -9.991711     -3.576382      7.029662
  C      -8.203125     -2.936704      5.597574
  C      -7.902878     -1.668367      6.335999
  O      -8.467247     -0.593664      6.245216
  C      -6.743434     -1.835372      7.345593
  O      -6.210434     -2.892174      7.621054
  C      -6.494167     -0.620845      8.254209
  O      -7.191257     -0.393554      9.196975
  Cl     -5.006272      0.306653      7.912571
  C      -7.301235     -3.312683      4.610281
  C      -3.557114     -5.175376      6.399776
  C      -2.805596     -4.414030      7.316774
  C      -3.200999     -4.303182      8.646530
  C      -4.351953     -4.962599      9.055410
  F      -4.748965     -4.828326     10.345240
  C      -5.125781     -5.735471      8.180168
  C      -6.368209     -6.411765      8.583456
  O      -7.072451     -7.071996      7.828331
  C      -6.842011     -6.379157     10.050294
  O      -6.634607     -7.296326     10.806637
  C      -7.727793     -5.157445     10.401280
  O      -8.076004     -4.351911      9.590507
  Cl     -8.154828     -5.079169     12.122321
  C      -4.709580     -5.823085      6.841416
  H      -1.614443     -1.666349      0.896382
  H      -1.986108      0.771197      0.554628
  H      -5.670460     -2.054843      2.327609
  H      -8.107946     -6.599622      4.269762
  H      -9.855390     -5.900126      5.874392
  H      -6.609298     -2.568257      4.238340
  H      -1.916709     -3.890425      6.962701
  H      -2.641191     -3.702519      9.363179
  H      -5.327274     -6.392898      6.149184
  N      -4.537159     -2.579315      4.794759
  N      -4.804109     -1.623685      5.362848
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.445406256674
  N      -3.373810     -3.386253      2.069531
  C      -2.768462     -4.243319      1.048893
  C      -2.537311     -5.627981      1.626207
  N      -3.668067     -6.011326      2.508547
  C      -4.902182     -6.347576      1.752280
  C      -6.105436     -6.224750      2.670730
  N      -6.017051     -4.968949      3.429332
  Mo     -4.173962     -4.209827      3.706818
  N      -3.158089     -5.265542      5.025209
  C      -2.469666     -6.490330      4.590334
  C      -3.261746     -7.101298      3.440484
  H      -2.396045     -7.213198      5.417090
  H      -1.437555     -6.251754      4.280841
  H      -4.178401     -7.554042      3.839749
  H      -2.695799     -7.879778      2.899742
  H      -7.025883     -6.248255      2.062633
  H      -6.159229     -7.095182      3.351823
  H      -4.991984     -5.618825      0.935462
  H      -4.831764     -7.357660      1.312265
  H      -1.799936     -3.846351      0.700562
  H      -3.425293     -4.281713      0.159496
  H      -1.634822     -5.617815      2.252148
  H      -2.392063     -6.375935      0.827645
  C      -3.584578     -2.039832      1.707796
  C      -2.563877     -1.236713      1.155696
  C      -2.747102      0.134498      0.981688
  C      -3.945463      0.709423      1.382437
  F      -4.099629      2.055027      1.280154
  C      -5.002935     -0.058872      1.879262
  C      -6.264230      0.514223      2.387311
  O      -7.303869     -0.118226      2.501587
  C      -6.296569      1.962368      2.940430
  O      -7.055442      2.803972      2.532646
  C      -5.340348      2.195452      4.146811
  O      -4.412985      1.479953      4.389773
  Cl     -5.756586      3.630262      5.099988
  C      -4.821907     -1.444617      1.975914
  C      -7.166186     -4.632953      4.171802
  C      -8.126597     -5.569246      4.613093
  C      -9.107474     -5.196430      5.534707
  C      -9.113321     -3.908732      6.058686
  F      -9.984640     -3.595515      7.049837
  C      -8.210137     -2.945357      5.605956
  C      -7.922603     -1.673607      6.343261
  O      -8.485421     -0.599198      6.237951
  C      -6.774058     -1.832566      7.366187
  O      -6.221706     -2.881106      7.632741
  C      -6.543726     -0.615396      8.275601
  O      -7.245628     -0.384878      9.213522
  Cl     -5.062747      0.321633      7.925106
  C      -7.306636     -3.313234      4.615994
  C      -3.549675     -5.175872      6.389957
  C      -2.808843     -4.391117      7.295575
  C      -3.206426     -4.268201      8.623491
  C      -4.349123     -4.937454      9.040346
  F      -4.748938     -4.790667     10.327892
  C      -5.113618     -5.730525      8.174730
  C      -6.350532     -6.411747      8.585632
  O      -7.051455     -7.083660      7.837530
  C      -6.819104     -6.375235     10.053350
  O      -6.586404     -7.279027     10.818465
  C      -7.730999     -5.170266     10.394973
  O      -8.088305     -4.372910      9.580056
  Cl     -8.169602     -5.095212     12.113247
  C      -4.694513     -5.831373      6.837414
  H      -1.597058     -1.675997      0.907734
  H      -1.955751      0.765895      0.577417
  H      -5.659225     -2.050429      2.324840
  H      -8.091594     -6.607226      4.284526
  H      -9.835667     -5.922041      5.897944
  H      -6.627412     -2.558711      4.239839
  H      -1.927463     -3.860056      6.933998
  H      -2.655737     -3.650030      9.332249
  H      -5.305440     -6.415631      6.151592
  N      -4.530468     -2.586592      4.789695
  N      -4.791051     -1.626875      5.353162
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.446668945858
  N      -3.371846     -3.391124      2.068753
  C      -2.772075     -4.249495      1.045772
  C      -2.544857     -5.636140      1.619274
  N      -3.676300     -6.017461      2.501741
  C      -4.912638     -6.346997      1.745807
  C      -6.114359     -6.222389      2.665879
  N      -6.020976     -4.968511      3.427761
  Mo     -4.173883     -4.217379      3.701941
  N      -3.154265     -5.277199      5.014065
  C      -2.478590     -6.509495      4.581611
  C      -3.273867     -7.112592      3.429609
  H      -2.415410     -7.232540      5.409049
  H      -1.443023     -6.282032      4.275075
  H      -4.192330     -7.562929      3.827408
  H      -2.711779     -7.891248      2.885332
  H      -7.035826     -6.241476      2.059321
  H      -6.168953     -7.094458      3.344735
  H      -5.000860     -5.616403      0.930373
  H      -4.846490     -7.356410      1.303492
  H      -1.803090     -3.855148      0.695241
  H      -3.430824     -4.283929      0.157471
  H      -1.641569     -5.630945      2.244213
  H      -2.403090     -6.382039      0.818108
  C      -3.572669     -2.041992      1.709497
  C      -2.546454     -1.241038      1.165203
  C      -2.723221      0.132115      0.998916
  C      -3.920411      0.710653      1.398248
  F      -4.067020      2.057449      1.302684
  C      -4.983290     -0.055426      1.887149
  C      -6.243569      0.518491      2.395420
  O      -7.281115     -0.116030      2.520253
  C      -6.283094      1.972319      2.929329
  O      -7.032232      2.810880      2.497516
  C      -5.346611      2.218345      4.148181
  O      -4.418896      1.509988      4.409489
  Cl     -5.784747      3.657366      5.085602
  C      -4.807939     -1.442589      1.977317
  C      -7.164690     -4.635399      4.180383
  C      -8.116542     -5.577933      4.627616
  C      -9.095275     -5.213784      5.554697
  C      -9.107630     -3.926108      6.077548
  F      -9.975927     -3.617204      7.073056
  C      -8.215599     -2.956241      5.617623
  C      -7.941162     -1.679875      6.352214
  O      -8.501897     -0.606057      6.230105
  C      -6.801333     -1.827676      7.389257
  O      -6.227160     -2.868018      7.649164
  C      -6.589775     -0.603750      8.296338
  O      -7.297061     -0.369209      9.228734
  Cl     -5.114867      0.341400      7.938658
  C      -7.311899     -3.315139      4.623363
  C      -3.542257     -5.177589      6.379545
  C      -2.809714     -4.372314      7.273512
  C      -3.208043     -4.237935      8.600051
  C      -4.343120     -4.914861      9.025996
  F      -4.742131     -4.757467     10.312514
  C      -5.100613     -5.726058      8.170906
  C      -6.332242     -6.411627      8.590027
  O      -7.037643     -7.083414      7.845590
  C      -6.797052     -6.368557     10.057689
  O      -6.553306     -7.264445     10.828457
  C      -7.733915     -5.179316     10.386360
  O      -8.089404     -4.385548      9.567148
  Cl     -8.205126     -5.116879     12.096390
  C      -4.681897     -5.837725      6.833947
  H      -1.580523     -1.682951      0.918512
  H      -1.927514      0.762574      0.601766
  H      -5.647898     -2.046514      2.322820
  H      -8.076341     -6.615393      4.298328
  H      -9.815657     -5.945305      5.921575
  H      -6.644805     -2.552717      4.243333
  H      -1.934593     -3.836299      6.904321
  H      -2.664118     -3.604907      9.300842
  H      -5.287847     -6.434821      6.154888
  N      -4.523192     -2.593799      4.784041
  N      -4.777422     -1.631616      5.345267
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.447743888159
  N      -3.366598     -3.395036      2.068729
  C      -2.768979     -4.255429      1.044950
  C      -2.550253     -5.644262      1.617192
  N      -3.687256     -6.021788      2.495623
  C      -4.923188     -6.343081      1.735313
  C      -6.125756     -6.214384      2.654032
  N      -6.028040     -4.962878      3.419625
  Mo     -4.178503     -4.222131      3.696173
  N      -3.159089     -5.284166      5.006326
  C      -2.496316     -6.524462      4.578108
  C      -3.293334     -7.120319      3.423057
  H      -2.445655     -7.247029      5.406777
  H      -1.456579     -6.309493      4.276263
  H      -4.215545     -7.565576      3.817944
  H      -2.735099     -7.901417      2.878399
  H      -7.046386     -6.227237      2.046020
  H      -6.185353     -7.088149      3.330245
  H      -5.005597     -5.610762      0.920761
  H      -4.861367     -7.352010      1.291366
  H      -1.797725     -3.865592      0.695697
  H      -3.426767     -4.286240      0.155793
  H      -1.649218     -5.644826      2.245519
  H      -2.409682     -6.389308      0.815066
  C      -3.557536     -2.044475      1.711872
  C      -2.523515     -1.248888      1.174784
  C      -2.689421      0.126085      1.014378
  C      -3.884370      0.711623      1.409878
  F      -4.020242      2.059656      1.317931
  C      -4.955468     -0.048866      1.890340
  C      -6.214731      0.531015      2.392963
  O      -7.252637     -0.101695      2.527086
  C      -6.257032      1.991530      2.904962
  O      -6.993556      2.827768      2.447712
  C      -5.346870      2.247342      4.141750
  O      -4.421084      1.544797      4.425022
  Cl     -5.809362      3.689747      5.061673
  C      -4.789535     -1.437402      1.976551
  C      -7.168201     -4.631442      4.177645
  C      -8.112122     -5.580197      4.628669
  C      -9.092138     -5.223734      5.556474
  C      -9.113524     -3.935137      6.075758
  F      -9.984703     -3.628630      7.069460
  C      -8.231131     -2.959364      5.611043
  C      -7.971187     -1.680241      6.343295
  O      -8.529338     -0.607314      6.204862
  C      -6.847987     -1.820840      7.393196
  O      -6.260080     -2.848134      7.648873
  C      -6.661018     -0.597932      8.301183
  O      -7.379103     -0.363461      9.224811
  Cl     -5.191288      0.357679      7.943943
  C      -7.323503     -3.310045      4.617051
  C      -3.546604     -5.175973      6.371705
  C      -2.822595     -4.352218      7.256048
  C      -3.219307     -4.208741      8.581997
  C      -4.343525     -4.896221      9.018513
  F      -4.739958     -4.732039     10.304955
  C      -5.093835     -5.724634      8.174049
  C      -6.315235     -6.419356      8.606522
  O      -7.021521     -7.100545      7.871677
  C      -6.753233     -6.396739     10.083393
  O      -6.466845     -7.287226     10.846068
  C      -7.694072     -5.220086     10.445811
  O      -8.068351     -4.415367      9.645963
  Cl     -8.129569     -5.183209     12.166024
  C      -4.679544     -5.843397      6.836058
  H      -1.559260     -1.696480      0.931535
  H      -1.887059      0.752647      0.624507
  H      -5.634405     -2.036514      2.318279
  H      -8.064866     -6.617452      4.299827
  H      -9.806241     -5.960414      5.925194
  H      -6.666382     -2.536648      4.233534
  H      -1.954056     -3.810870      6.879338
  H      -2.681298     -3.562171      9.274938
  H      -5.280633     -6.454430      6.165038
  N      -4.522623     -2.595020      4.774655
  N      -4.771372     -1.629050      5.331648
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.448833621110
  N      -3.364687     -3.398929      2.067302
  C      -2.772593     -4.260334      1.041263
  C      -2.557442     -5.651169      1.609369
  N      -3.694164     -6.027331      2.487983
  C      -4.932844     -6.341204      1.728877
  C      -6.133138     -6.211744      2.650370
  N      -6.030127     -4.962954      3.420353
  Mo     -4.176164     -4.228561      3.692155
  N      -3.152740     -5.296895      4.994755
  C      -2.503664     -6.544932      4.567881
  C      -3.303547     -7.131641      3.409849
  H      -2.464447     -7.268228      5.396577
  H      -1.460355     -6.342295      4.269560
  H      -4.227199     -7.575431      3.802777
  H      -2.748689     -7.912047      2.860615
  H      -7.055510     -6.220076      2.044741
  H      -6.192689     -7.087775      3.323412
  H      -5.014242     -5.606159      0.916840
  H      -4.875900     -7.348881      1.281323
  H      -1.801084     -3.872886      0.690339
  H      -3.432296     -4.286851      0.153416
  H      -1.655715     -5.656716      2.236628
  H      -2.420368     -6.394029      0.804585
  C      -3.546797     -2.045567      1.713470
  C      -2.509366     -1.251154      1.181562
  C      -2.671475      0.125056      1.025636
  C      -3.864984      0.713721      1.421462
  F      -3.995882      2.062310      1.332429
  C      -4.938692     -0.045097      1.899176
  C      -6.197076      0.533686      2.404201
  O      -7.228165     -0.105612      2.561227
  C      -6.247862      1.998478      2.899724
  O      -6.975276      2.830699      2.420632
  C      -5.355276      2.267871      4.145941
  O      -4.429850      1.572163      4.446226
  Cl     -5.834492      3.716803      5.047676
  C      -4.776633     -1.434661      1.980130
  C      -7.163887     -4.637003      4.190877
  C      -8.097903     -5.592683      4.648009
  C      -9.072709     -5.246336      5.584917
  C      -9.099731     -3.958617      6.105128
  F      -9.963980     -3.658716      7.107256
  C      -8.230161     -2.975435      5.632678
  C      -7.984197     -1.690601      6.360308
  O      -8.541097     -0.619561      6.204237
  C      -6.866487     -1.814586      7.421985
  O      -6.254140     -2.831385      7.674614
  C      -6.698590     -0.581624      8.322368
  O      -7.423246     -0.343868      9.239747
  Cl     -5.237400      0.384499      7.956971
  C      -7.325303     -3.316185      4.631794
  C      -3.535958     -5.180792      6.360708
  C      -2.820891     -4.339283      7.235167
  C      -3.218527     -4.186452      8.559846
  C      -4.336525     -4.879461      9.003462
  F      -4.734039     -4.705875     10.288448
  C      -5.081534     -5.720323      8.166621
  C      -6.302319     -6.413052      8.603885
  O      -7.007501     -7.101188      7.874311
  C      -6.745368     -6.374271     10.078022
  O      -6.446048     -7.246985     10.856013
  C      -7.719900     -5.216745     10.412924
  O      -8.090823     -4.422540      9.601011
  Cl     -8.197742     -5.183023     12.121706
  C      -4.664412     -5.851040      6.830400
  H      -1.546359     -1.700401      0.936386
  H      -1.866945      0.750431      0.638297
  H      -5.623705     -2.032259      2.319327
  H      -8.046213     -6.628973      4.316958
  H      -9.777497     -5.989635      5.958242
  H      -6.679002     -2.537154      4.243767
  H      -1.957998     -3.793192      6.852372
  H      -2.687126     -3.527221      9.245933
  H      -5.260862     -6.471454      6.164936
  N      -4.512467     -2.601743      4.770233
  N      -4.755338     -1.635180      5.329089
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.449789573579
  N      -3.361321     -3.402739      2.066387
  C      -2.772299     -4.265372      1.039592
  C      -2.563036     -5.657973      1.605404
  N      -3.702447     -6.031905      2.481307
  C      -4.942251     -6.337505      1.720786
  C      -6.141833     -6.206337      2.642943
  N      -6.034162     -4.960570      3.417682
  Mo     -4.176957     -4.233391      3.687937
  N      -3.152200     -5.306537      4.985913
  C      -2.516767     -6.562416      4.561591
  C      -3.318201     -7.140674      3.400179
  H      -2.490230     -7.285996      5.390563
  H      -1.469637     -6.372624      4.268112
  H      -4.244569     -7.581331      3.790260
  H      -2.766631     -7.921969      2.848939
  H      -7.064658     -6.209245      2.037938
  H      -6.203725     -7.084850      3.312337
  H      -5.020230     -5.599657      0.910971
  H      -4.890071     -7.344061      1.270043
  H      -1.799291     -3.881078      0.689311
  H      -3.432104     -4.288198      0.151695
  H      -1.662546     -5.668313      2.234395
  H      -2.427374     -6.399510      0.799095
  C      -3.535822     -2.047700      1.715023
  C      -2.493999     -1.256513      1.186976
  C      -2.649451      0.120967      1.035694
  C      -3.840673      0.714414      1.431580
  F      -3.963744      2.063876      1.347519
  C      -4.918819     -0.040852      1.905512
  C      -6.173559      0.541449      2.414583
  O      -7.205395     -0.094898      2.581377
  C      -6.227679      2.013581      2.883306
  O      -6.942775      2.841342      2.378225
  C      -5.359591      2.296375      4.143450
  O      -4.436280      1.607285      4.464469
  Cl     -5.859259      3.751615      5.023889
  C      -4.763051     -1.431528      1.981978
  C      -7.162601     -4.639580      4.198231
  C      -8.086937     -5.602023      4.661086
  C      -9.058762     -5.264544      5.604163
  C      -9.093036     -3.976930      6.123360
  F      -9.955437     -3.681436      7.128623
  C      -8.235363     -2.986902      5.644189
  C      -8.004607     -1.696178      6.366275
  O      -8.559566     -0.627096      6.190883
  C      -6.896515     -1.804100      7.440606
  O      -6.263304     -2.809081      7.692858
  C      -6.750157     -0.562928      8.333713
  O      -7.483879     -0.322038      9.242848
  Cl     -5.296750      0.413746      7.962984
  C      -7.331124     -3.318729      4.638954
  C      -3.533042     -5.182871      6.351597
  C      -2.825430     -4.325568      7.216635
  C      -3.222648     -4.163449      8.540237
  C      -4.333030     -4.863209      8.992474
  F      -4.730096     -4.681267     10.276373
  C      -5.070972     -5.719519      8.164614
  C      -6.285429     -6.417982      8.610032
  O      -6.995070     -7.106325      7.884755
  C      -6.721425     -6.379463     10.085741
  O      -6.408256     -7.246254     10.864782
  C      -7.712004     -5.235399     10.419743
  O      -8.079776     -4.436222      9.611255
  Cl     -8.213066     -5.224636     12.122076
  C      -4.655083     -5.858345      6.828881
  H      -1.532605     -1.709126      0.941539
  H      -1.841085      0.743784      0.652229
  H      -5.613001     -2.025763      2.319995
  H      -8.029834     -6.637608      4.329019
  H      -9.755356     -6.013673      5.981152
  H      -6.694691     -2.533668      4.246742
  H      -1.968334     -3.774991      6.827185
  H      -2.697129     -3.491856      9.218797
  H      -5.246680     -6.490432      6.169953
  N      -4.507015     -2.605363      4.764039
  N      -4.743623     -1.638419      5.323839
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.450667290001
  N      -3.357557     -3.405905      2.065045
  C      -2.770821     -4.269527      1.037869
  C      -2.568116     -5.664035      1.601417
  N      -3.710784     -6.035457      2.473898
  C      -4.951383     -6.331893      1.711325
  C      -6.150523     -6.199601      2.633869
  N      -6.037703     -4.957752      3.414661
  Mo     -4.177673     -4.237482      3.683649
  N      -3.152307     -5.315825      4.977314
  C      -2.531073     -6.579547      4.554909
  C      -3.333741     -7.148922      3.389730
  H      -2.517401     -7.303706      5.383744
  H      -1.480166     -6.402829      4.266601
  H      -4.263086     -7.586250      3.776477
  H      -2.785311     -7.931187      2.836752
  H      -7.073708     -6.196198      2.029401
  H      -6.215322     -7.081269      3.298684
  H      -5.025456     -5.590312      0.904549
  H      -4.904098     -7.336798      1.256308
  H      -1.795828     -3.888635      0.689389
  H      -3.429793     -4.288181      0.149249
  H      -1.669255     -5.679221      2.232706
  H      -2.433368     -6.404316      0.793736
  C      -3.525006     -2.049265      1.716423
  C      -2.479289     -1.261523      1.190676
  C      -2.628042      0.117158      1.043036
  C      -3.816576      0.715834      1.439594
  F      -3.932537      2.065935      1.357861
  C      -4.898540     -0.035620      1.911335
  C      -6.151673      0.549515      2.419916
  O      -7.177084     -0.090383      2.612456
  C      -6.211627      2.026517      2.870190
  O      -6.910895      2.851530      2.339040
  C      -5.362686      2.322810      4.140005
  O      -4.443096      1.638154      4.480517
  Cl     -5.876219      3.786142      4.998692
  C      -4.748820     -1.427234      1.984863
  C      -7.160501     -4.642943      4.205936
  C      -8.074341     -5.612571      4.674625
  C      -9.042204     -5.284312      5.624790
  C      -9.083713     -3.996999      6.143347
  F      -9.943609     -3.706595      7.152379
  C      -8.238506     -2.999815      5.657447
  C      -8.023894     -1.703251      6.373163
  O      -8.577836     -0.637074      6.178078
  C      -6.925683     -1.793096      7.458653
  O      -6.273178     -2.783574      7.712653
  C      -6.802018     -0.543832      8.342791
  O      -7.545940     -0.301053      9.242944
  Cl     -5.356805      0.444158      7.968594
  C      -7.335845     -3.322624      4.647477
  C      -3.530976     -5.185575      6.342691
  C      -2.830564     -4.313704      7.199141
  C      -3.227355     -4.142602      8.521642
  C      -4.330825     -4.848052      8.982061
  F      -4.727845     -4.658272     10.264666
  C      -5.062494     -5.717916      8.162507
  C      -6.271517     -6.420163      8.616043
  O      -6.981457     -7.115412      7.897530
  C      -6.699998     -6.381505     10.093613
  O      -6.366241     -7.237756     10.875765
  C      -7.709847     -5.254098     10.426767
  O      -8.078378     -4.451681      9.621879
  Cl     -8.228323     -5.264643     12.123861
  C      -4.647047     -5.865458      6.827541
  H      -1.520046     -1.717897      0.943765
  H      -1.816392      0.736818      0.661398
  H      -5.601927     -2.017673      2.321742
  H      -8.011758     -6.647297      4.341084
  H      -9.730062     -6.039353      6.005938
  H      -6.708469     -2.531715      4.250775
  H      -1.978820     -3.759188      6.803527
  H      -2.707061     -3.459819      9.192990
  H      -5.234069     -6.508116      6.175397
  N      -4.501369     -2.607701      4.758086
  N      -4.731884     -1.640648      5.320247
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.451480582537
  N      -3.353544     -3.409593      2.062782
  C      -2.768265     -4.274016      1.035839
  C      -2.572296     -5.670115      1.597831
  N      -3.718562     -6.038781      2.466370
  C      -4.959549     -6.326083      1.701445
  C      -6.158536     -6.193013      2.623878
  N      -6.040714     -4.955433      3.411038
  Mo     -4.178496     -4.241480      3.679038
  N      -3.153728     -5.324505      4.969711
  C      -2.546099     -6.595459      4.549016
  C      -3.349380     -7.156340      3.380067
  H      -2.544774     -7.320321      5.377445
  H      -1.491693     -6.431081      4.266070
  H      -4.281914     -7.589967      3.763273
  H      -2.803861     -7.940125      2.826369
  H      -7.081861     -6.183042      2.019718
  H      -6.226641     -7.078050      3.283739
  H      -5.029561     -5.580581      0.897922
  H      -4.916905     -7.329221      1.241978
  H      -1.790944     -3.896704      0.689945
  H      -3.425622     -4.288813      0.145931
  H      -1.675395     -5.689551      2.231839
  H      -2.437732     -6.409554      0.789285
  C      -3.515878     -2.051893      1.716635
  C      -2.466964     -1.268034      1.190964
  C      -2.608758      0.111570      1.046693
  C      -3.793648      0.715545      1.446175
  F      -3.901598      2.066400      1.368495
  C      -4.878789     -0.031559      1.918033
  C      -6.126410      0.559119      2.432609
  O      -7.151821     -0.076562      2.640430
  C      -6.186672      2.043389      2.854877
  O      -6.877039      2.861912      2.302248
  C      -5.364189      2.352177      4.138750
  O      -4.448827      1.672912      4.501156
  Cl     -5.895649      3.822527      4.974038
  C      -4.736065     -1.424237      1.987903
  C      -7.158093     -4.647055      4.212601
  C      -8.061423     -5.623568      4.687338
  C      -9.025340     -5.303879      5.644310
  C      -9.074230     -4.016785      6.161849
  F      -9.931756     -3.731235      7.174460
  C      -8.241061     -3.012781      5.669517
  C      -8.042993     -1.710260      6.378369
  O      -8.596160     -0.647367      6.163535
  C      -6.955291     -1.781159      7.476060
  O      -6.282805     -2.758803      7.733193
  C      -6.854225     -0.523312      8.350420
  O      -7.608672     -0.278299      9.241095
  Cl     -5.416417      0.474896      7.974570
  C      -7.339904     -3.327425      4.655256
  C      -3.530992     -5.187724      6.334314
  C      -2.837762     -4.301935      7.182570
  C      -3.235189     -4.121223      8.503507
  C      -4.332342     -4.831760      8.971684
  F      -4.730262     -4.633660     10.252473
  C      -5.056611     -5.715874      8.160454
  C      -6.258830     -6.424054      8.621824
  O      -6.966487     -7.128961      7.910213
  C      -6.679662     -6.387755     10.101303
  O      -6.320648     -7.230947     10.886488
  C      -7.705403     -5.275518     10.436665
  O      -8.076184     -4.469598      9.636314
  Cl     -8.232915     -5.304038     12.130824
  C      -4.640679     -5.872512      6.826702
  H      -1.510339     -1.728573      0.941670
  H      -1.794168      0.727829      0.665828
  H      -5.591701     -2.010473      2.325821
  H      -7.993482     -6.657487      4.352553
  H      -9.704508     -6.064478      6.029923
  H      -6.720679     -2.532091      4.254383
  H      -1.991015     -3.743855      6.781237
  H      -2.720230     -3.427467      9.167646
  H      -5.222494     -6.526549      6.181505
  N      -4.495840     -2.610058      4.752641
  N      -4.720192     -1.643926      5.318769
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.452236867482
  N      -3.349818     -3.412290      2.060089
  C      -2.764854     -4.277715      1.034032
  C      -2.576326     -5.675374      1.594859
  N      -3.726923     -6.040837      2.458761
  C      -4.967851     -6.318751      1.690663
  C      -6.166848     -6.185527      2.612951
  N      -6.043978     -4.952707      3.407237
  Mo     -4.180244     -4.244216      3.674282
  N      -3.156594     -5.332066      4.962275
  C      -2.562403     -6.609970      4.543177
  C      -3.366211     -7.162550      3.370582
  H      -2.572730     -7.335305      5.371208
  H      -1.504812     -6.457516      4.265285
  H      -4.302033     -7.592264      3.750116
  H      -2.823537     -7.947973      2.816394
  H      -7.090330     -6.168497      2.009211
  H      -6.238346     -7.074189      3.267410
  H      -5.033641     -5.568799      0.890958
  H      -4.929472     -7.319721      1.226034
  H      -1.784698     -3.904468      0.691756
  H      -3.419378     -4.288631      0.141991
  H      -1.681897     -5.698882      2.232257
  H      -2.441263     -6.414161      0.785776
  C      -3.506988     -2.053785      1.715922
  C      -2.455459     -1.273736      1.189035
  C      -2.590405      0.106817      1.048074
  C      -3.771489      0.716139      1.451033
  F      -3.871768      2.067700      1.376884
  C      -4.859560     -0.026748      1.923164
  C      -6.102666      0.568733      2.441918
  O      -7.125830     -0.064980      2.667433
  C      -6.166261      2.058383      2.842052
  O      -6.838432      2.873460      2.262423
  C      -5.363590      2.380977      4.134810
  O      -4.454462      1.704516      4.517690
  Cl     -5.904700      3.861263      4.945282
  C      -4.723329     -1.420398      1.990238
  C      -7.155685     -4.651832      4.219917
  C      -8.047526     -5.635583      4.701191
  C      -9.006594     -5.324540      5.665709
  C      -9.062856     -4.037716      6.182342
  F      -9.918179     -3.757103      7.198241
  C      -8.242358     -3.026727      5.683227
  C      -8.061225     -1.718264      6.384282
  O      -8.614245     -0.659542      6.149270
  C      -6.984390     -1.768906      7.492520
  O      -6.295862     -2.730748      7.755761
  C      -6.906244     -0.502285      8.356076
  O      -7.672145     -0.255981      9.236515
  Cl     -5.476374      0.507540      7.980114
  C      -7.343772     -3.333241      4.664075
  C      -3.532205     -5.189372      6.326333
  C      -2.844950     -4.290587      7.166085
  C      -3.241232     -4.101342      8.485958
  C      -4.331068     -4.817373      8.962970
  F      -4.728317     -4.611451     10.242387
  C      -5.048947     -5.715059      8.160772
  C      -6.242839     -6.430033      8.632086
  O      -6.953711     -7.138479      7.926861
  C      -6.655576     -6.392415     10.113521
  O      -6.283224     -7.229225     10.899309
  C      -7.700993     -5.298355     10.447376
  O      -8.070786     -4.487555      9.651528
  Cl     -8.253762     -5.355496     12.132886
  C      -4.635099     -5.879196      6.827118
  H      -1.501523     -1.738366      0.937077
  H      -1.773165      0.719614      0.667304
  H      -5.581422     -2.002301      2.329424
  H      -7.974244     -6.668621      4.364946
  H      -9.676656     -6.090671      6.056237
  H      -6.731985     -2.533736      4.258574
  H      -2.003459     -3.729172      6.758375
  H      -2.730714     -3.397297      9.142627
  H      -5.212465     -6.544416      6.189484
  N      -4.491499     -2.611224      4.747909
  N      -4.708937     -1.647159      5.319771
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.452941196209
  N      -3.345678     -3.414999      2.058091
  C      -2.760249     -4.280872      1.033164
  C      -2.579485     -5.680111      1.592599
  N      -3.734700     -6.042216      2.451174
  C      -4.974792     -6.310721      1.678788
  C      -6.174617     -6.178031      2.599861
  N      -6.047165     -4.950688      3.402130
  Mo     -4.182413     -4.247483      3.669563
  N      -3.161641     -5.340193      4.956047
  C      -2.579732     -6.624017      4.537976
  C      -3.383295     -7.168171      3.361344
  H      -2.600942     -7.350201      5.365132
  H      -1.519262     -6.482257      4.265239
  H      -4.322703     -7.593720      3.736604
  H      -2.843298     -7.955313      2.807009
  H      -7.097652     -6.153259      1.995775
  H      -6.250218     -7.070655      3.248265
  H      -5.035832     -5.555905      0.883300
  H      -4.939868     -7.309199      1.208487
  H      -1.776913     -3.911641      0.695517
  H      -3.410884     -4.287607      0.138220
  H      -1.687726     -5.707837      2.233621
  H      -2.443689     -6.418167      0.782949
  C      -3.497688     -2.055703      1.716023
  C      -2.443600     -1.280080      1.187070
  C      -2.571489      0.101398      1.049134
  C      -3.748502      0.716387      1.456029
  F      -3.840918      2.068600      1.384579
  C      -4.839376     -0.021812      1.929388
  C      -6.078486      0.578724      2.450755
  O      -7.096984     -0.054290      2.699466
  C      -6.144678      2.072983      2.830534
  O      -6.804514      2.883031      2.229941
  C      -5.361323      2.407821      4.131482
  O      -4.459924      1.732694      4.534495
  Cl     -5.908902      3.898557      4.917663
  C      -4.709808     -1.416394      1.994451
  C      -7.153725     -4.657057      4.224912
  C      -8.035108     -5.647194      4.712211
  C      -8.990098     -5.343616      5.683173
  C      -9.053702     -4.056808      6.198465
  F      -9.908024     -3.780244      7.216385
  C      -8.244476     -3.039681      5.693430
  C      -8.081103     -1.724845      6.386348
  O      -8.634063     -0.670835      6.130283
  C      -7.016811     -1.754413      7.507569
  O      -6.310833     -2.703767      7.778553
  C      -6.961699     -0.478461      8.358848
  O      -7.739018     -0.229270      9.228367
  Cl     -5.537551      0.539877      7.984337
  C      -7.347374     -3.339597      4.670750
  C      -3.536205     -5.191504      6.319218
  C      -2.855707     -4.279641      7.150572
  C      -3.252710     -4.081256      8.468665
  C      -4.335737     -4.802499      8.953472
  F      -4.733876     -4.587976     10.230926
  C      -5.045488     -5.714855      8.160329
  C      -6.230476     -6.437589      8.640851
  O      -6.938905     -7.156241      7.943154
  C      -6.632780     -6.403936     10.125005
  O      -6.232967     -7.226907     10.912006
  C      -7.688658     -5.322379     10.466164
  O      -8.062848     -4.507130      9.676839
  Cl     -8.240599     -5.395463     12.151464
  C      -4.631757     -5.887468      6.827532
  H      -1.492963     -1.749407      0.931428
  H      -1.751950      0.710510      0.667409
  H      -5.570337     -1.994031      2.334727
  H      -7.957033     -6.679421      4.374726
  H      -9.651992     -6.114572      6.078094
  H      -6.742325     -2.536805      4.262019
  H      -2.019390     -3.714828      6.736960
  H      -2.747705     -3.366597      9.118070
  H      -5.203463     -6.564640      6.197235
  N      -4.488085     -2.614125      4.745021
  N      -4.698874     -1.652267      5.322033
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.453605345770
  N      -3.341924     -3.417703      2.053965
  C      -2.755673     -4.284678      1.030452
  C      -2.582892     -5.685486      1.589032
  N      -3.742666     -6.043662      2.443049
  C      -4.982318     -6.302958      1.666787
  C      -6.182489     -6.170743      2.587499
  N      -6.049687     -4.948951      3.397817
  Mo     -4.184103     -4.250125      3.663846
  N      -3.165729     -5.347635      4.948577
  C      -2.596091     -6.637366      4.531682
  C      -3.400232     -7.173691      3.351796
  H      -2.627081     -7.363762      5.358398
  H      -1.533178     -6.506148      4.262958
  H      -4.342976     -7.594784      3.723562
  H      -2.863360     -7.962711      2.797085
  H      -7.105468     -6.137826      1.983753
  H      -6.262001     -7.067194      3.229922
  H      -5.038998     -5.543216      0.875729
  H      -4.950818     -7.298793      1.190651
  H      -1.769100     -3.919873      0.697415
  H      -3.402101     -4.287522      0.132448
  H      -1.693659     -5.717278      2.233418
  H      -2.446756     -6.423204      0.779125
  C      -3.489333     -2.057864      1.713495
  C      -2.433969     -1.286252      1.180550
  C      -2.555784      0.095759      1.044805
  C      -3.727871      0.716021      1.457786
  F      -3.812775      2.068821      1.389296
  C      -4.820130     -0.017606      1.935297
  C      -6.052745      0.588398      2.464359
  O      -7.068376     -0.041449      2.733603
  C      -6.119199      2.087540      2.820942
  O      -6.772931      2.890111      2.203759
  C      -5.358138      2.434370      4.131661
  O      -4.464245      1.761728      4.555759
  Cl     -5.913102      3.935440      4.891882
  C      -4.697114     -1.413034      1.997889
  C      -7.150131     -4.663297      4.232162
  C      -8.019789     -5.660176      4.726331
  C      -8.968780     -5.364579      5.705433
  C      -9.039097     -4.078091      6.219960
  F      -9.889376     -3.806722      7.242661
  C      -8.242208     -3.054547      5.708214
  C      -8.095591     -1.734421      6.393273
  O      -8.649549     -0.685734      6.118021
  C      -7.043635     -1.743828      7.525030
  O      -6.323994     -2.678434      7.804332
  C      -7.011438     -0.460102      8.365321
  O      -7.800410     -0.210572      9.224080
  Cl     -5.594489      0.569662      7.993860
  C      -7.348630     -3.347290      4.680414
  C      -3.538483     -5.192712      6.311392
  C      -2.865329     -4.266497      7.133107
  C      -3.262143     -4.058741      8.449649
  C      -4.337490     -4.785302      8.943428
  F      -4.735275     -4.562092     10.219357
  C      -5.040046     -5.711774      8.160298
  C      -6.216960     -6.440261      8.650917
  O      -6.921264     -7.171991      7.962427
  C      -6.612491     -6.401728     10.136437
  O      -6.193366     -7.210435     10.928183
  C      -7.694440     -5.344422     10.471372
  O      -8.075927     -4.532285      9.682405
  Cl     -8.263288     -5.437687     12.150141
  C      -4.626785     -5.894123      6.828376
  H      -1.486826     -1.759774      0.919831
  H      -1.735000      0.701397      0.660242
  H      -5.559202     -1.986549      2.341148
  H      -7.937116     -6.691497      4.387193
  H      -9.621238     -6.140679      6.105928
  H      -6.750005     -2.541116      4.267456
  H      -2.034999     -3.698085      6.712500
  H      -2.762683     -3.333075      9.091073
  H      -5.193208     -6.583002      6.206367
  N      -4.483184     -2.616491      4.742728
  N      -4.686478     -1.657906      5.328319
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.454229373806
  N      -3.337833     -3.419655      2.051498
  C      -2.749320     -4.287405      1.030051
  C      -2.585536     -5.689893      1.587521
  N      -3.750839     -6.044063      2.435534
  C      -4.988966     -6.294106      1.653703
  C      -6.190854     -6.162626      2.572341
  N      -6.053506     -4.947038      3.391514
  Mo     -4.187666     -4.252449      3.658408
  N      -3.173902     -5.354957      4.942684
  C      -2.614871     -6.649523      4.526794
  C      -3.418466     -7.178152      3.343160
  H      -2.655189     -7.376310      5.352801
  H      -1.549722     -6.527563      4.262435
  H      -4.364929     -7.594484      3.710691
  H      -2.884467     -7.969117      2.788487
  H      -7.112706     -6.120677      1.967512
  H      -6.275692     -7.063171      3.208044
  H      -5.040070     -5.529185      0.867324
  H      -4.959942     -7.287099      1.171523
  H      -1.759006     -3.927015      0.703313
  H      -3.390133     -4.286085      0.128034
  H      -1.699580     -5.726261      2.236182
  H      -2.448526     -6.427094      0.777303
  C      -3.479686     -2.059278      1.712601
  C      -2.422752     -1.291827      1.176153
  C      -2.538196      0.091010      1.043645
  C      -3.705812      0.716532      1.461758
  F      -3.783330      2.069949      1.396579
  C      -4.800304     -0.012690      1.941095
  C      -6.028224      0.598020      2.474668
  O      -7.042754     -0.028785      2.755889
  C      -6.098144      2.100746      2.812140
  O      -6.733987      2.899073      2.171013
  C      -5.353287      2.460578      4.128188
  O      -4.469368      1.787766      4.572518
  Cl     -5.908545      3.974490      4.861713
  C      -4.683457     -1.408895      2.001607
  C      -7.148638     -4.668878      4.235927
  C      -8.007664     -5.671727      4.736213
  C      -8.952095     -5.382913      5.721735
  C      -9.029313     -4.096438      6.234917
  F      -9.878226     -3.828943      7.259729
  C      -8.243127     -3.067360      5.717603
  C      -8.113947     -1.741500      6.394516
  O      -8.668637     -0.698568      6.099012
  C      -7.076846     -1.730658      7.539078
  O      -6.344953     -2.652532      7.829514
  C      -7.067859     -0.438633      8.367189
  O      -7.868949     -0.187274      9.214035
  Cl     -5.656349      0.600524      8.000070
  C      -7.351714     -3.354141      4.686140
  C      -3.545144     -5.194432      6.304940
  C      -2.879031     -4.254457      7.116830
  C      -3.274978     -4.038661      8.432143
  C      -4.341139     -4.772322      8.935231
  F      -4.737476     -4.542091     10.210290
  C      -5.035391     -5.713837      8.162481
  C      -6.200956     -6.452011      8.664741
  O      -6.906119     -7.190316      7.983903
  C      -6.585942     -6.412804     10.152878
  O      -6.145161     -7.208605     10.945966
  C      -7.679099     -5.368668     10.492085
  O      -8.066658     -4.555381      9.707223
  Cl     -8.248061     -5.475302     12.170113
  C      -4.624459     -5.903457      6.830675
  H      -1.478975     -1.769513      0.910992
  H      -1.715766      0.693410      0.657505
  H      -5.547349     -1.978610      2.346547
  H      -7.920539     -6.702281      4.395910
  H      -9.596414     -6.163445      6.126767
  H      -6.758937     -2.544993      4.270422
  H      -2.055390     -3.681894      6.688838
  H      -2.781431     -3.302231      9.065807
  H      -5.184611     -6.604999      6.216937
  N      -4.481396     -2.620001      4.742354
  N      -4.677048     -1.665103      5.335737
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.454813865374
  N      -3.333494     -3.421589      2.048646
  C      -2.742266     -4.290392      1.029595
  C      -2.587822     -5.694618      1.585889
  N      -3.758770     -6.044543      2.427962
  C      -4.995231     -6.285349      1.640253
  C      -6.199168     -6.154443      2.556481
  N      -6.057183     -4.945317      3.384811
  Mo     -4.191086     -4.254453      3.652579
  N      -3.182669     -5.362318      4.936733
  C      -2.633751     -6.661501      4.521890
  C      -3.436737     -7.182659      3.334581
  H      -2.683013     -7.388449      5.347288
  H      -1.566575     -6.548466      4.261621
  H      -4.387017     -7.593827      3.697969
  H      -2.905859     -7.975690      2.779935
  H      -7.119478     -6.102836      1.950129
  H      -6.289984     -7.059137      3.185133
  H      -5.040334     -5.515229      0.858646
  H      -4.968429     -7.275460      1.152102
  H      -1.748159     -3.934357      0.709628
  H      -3.377144     -4.284967      0.123414
  H      -1.705183     -5.735952      2.238774
  H      -2.450363     -6.431298      0.775299
  C      -3.469455     -2.060667      1.711171
  C      -2.411598     -1.297695      1.169867
  C      -2.521217      0.085783      1.039317
  C      -3.683884      0.716793      1.463158
  F      -3.754376      2.070669      1.399825
  C      -4.779802     -0.007695      1.946728
  C      -6.003040      0.607743      2.484980
  O      -7.012165     -0.017658      2.788924
  C      -6.075254      2.113926      2.802907
  O      -6.706591      2.904170      2.147379
  C      -5.348493      2.486412      4.124980
  O      -4.474702      1.814203      4.589884
  Cl     -5.904264      4.013019      4.830995
  C      -4.668779     -1.404465      2.006372
  C      -7.146828     -4.674342      4.239228
  C      -7.995468     -5.682703      4.745679
  C      -8.935102     -5.400146      5.737599
  C      -9.018640     -4.113653      6.249429
  F      -9.866051     -3.849658      7.276313
  C      -8.242649     -3.079537      5.726639
  C      -8.130184     -1.748457      6.395644
  O      -8.685756     -0.711593      6.080582
  C      -7.108541     -1.718488      7.552973
  O      -6.366558     -2.628354      7.855690
  C      -7.122199     -0.418843      8.369087
  O      -7.935178     -0.166033      9.203965
  Cl     -5.715366      0.629038      8.007036
  C      -7.353833     -3.360796      4.691383
  C      -3.551611     -5.196209      6.298839
  C      -2.892886     -4.241838      7.099969
  C      -3.287530     -4.017459      8.414075
  C      -4.344112     -4.757902      8.927177
  F      -4.739374     -4.519243     10.201018
  C      -5.030270     -5.714461      8.165573
  C      -6.186146     -6.459554      8.679316
  O      -6.888872     -7.208642      8.007582
  C      -6.558987     -6.419616     10.170231
  O      -6.100285     -7.205707     10.962850
  C      -7.667674     -5.393404     10.513236
  O      -8.064763     -4.580792      9.732398
  Cl     -8.239899     -5.519090     12.188833
  C      -4.621610     -5.912505      6.834134
  H      -1.471574     -1.779518      0.899010
  H      -1.697872      0.684724      0.649734
  H      -5.534133     -1.970399      2.353751
  H      -7.904184     -6.712552      4.404370
  H      -9.571549     -6.184791      6.147102
  H      -6.766607     -2.548780      4.273041
  H      -2.076679     -3.664967      6.663707
  H      -2.800357     -3.269687      9.039300
  H      -5.175722     -6.626428      6.229030
  N      -4.479660     -2.624051      4.742940
  N      -4.667311     -1.673537      5.345104
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.455354977489
  N      -3.329520     -3.423125      2.045338
  C      -2.735590     -4.292997      1.028614
  C      -2.590257     -5.699024      1.583424
  N      -3.766268     -6.044826      2.420391
  C      -5.001497     -6.276725      1.627588
  C      -6.207236     -6.146429      2.541860
  N      -6.060202     -4.944030      3.379458
  Mo     -4.193864     -4.256082      3.646724
  N      -3.190428     -5.369250      4.930636
  C      -2.650777     -6.672541      4.516309
  C      -3.453674     -7.186717      3.325879
  H      -2.707802     -7.399693      5.341039
  H      -1.581938     -6.567545      4.259338
  H      -4.407428     -7.592738      3.685853
  H      -2.926177     -7.981772      2.770963
  H      -7.126023     -6.084850      1.934167
  H      -6.304077     -7.055354      3.163173
  H      -5.040969     -5.501432      0.850882
  H      -4.976905     -7.263938      1.133547
  H      -1.737892     -3.941071      0.715407
  H      -3.364737     -4.283493      0.118500
  H      -1.710533     -5.745596      2.239880
  H      -2.453061     -6.435063      0.772230
  C      -3.460288     -2.061682      1.709234
  C      -2.402994     -1.302260      1.161582
  C      -2.508183      0.081780      1.033186
  C      -3.665573      0.717275      1.464525
  F      -3.730463      2.071558      1.403483
  C      -4.761606     -0.003504      1.953597
  C      -5.979613      0.615472      2.498740
  O      -6.985523     -0.007689      2.818259
  C      -6.054974      2.124744      2.797320
  O      -6.677051      2.907709      2.124288
  C      -5.343504      2.510648      4.123419
  O      -4.480023      1.839042      4.608340
  Cl     -5.896866      4.050955      4.800790
  C      -4.655380     -1.400600      2.011639
  C      -7.143367     -4.680277      4.244794
  C      -7.980774     -5.694073      4.758519
  C      -8.913802     -5.417878      5.758394
  C      -9.002991     -4.131411      6.268945
  F      -9.845668     -3.871485      7.300717
  C      -8.238474     -3.092171      5.739247
  C      -8.141728     -1.756316      6.400502
  O      -8.699286     -0.725906      6.067966
  C      -7.135670     -1.708377      7.569341
  O      -6.385929     -2.606650      7.885168
  C      -7.171043     -0.401974      8.373737
  O      -7.995009     -0.148190      9.197333
  Cl     -5.769159      0.654735      8.015923
  C      -7.353777     -3.367791      4.698991
  C      -3.556669     -5.199111      6.292912
  C      -2.908060     -4.229416      7.083980
  C      -3.302433     -3.998048      8.396966
  C      -4.348581     -4.746970      8.919107
  F      -4.743634     -4.502247     10.191943
  C      -5.024781     -5.718438      8.167540
  C      -6.171007     -6.471636      8.690755
  O      -6.869664     -7.231443      8.026826
  C      -6.541669     -6.421971     10.181895
  O      -6.061799     -7.185785     10.983717
  C      -7.668508     -5.412870     10.516110
  O      -8.077259     -4.611999      9.729256
  Cl     -8.238056     -5.533439     12.192950
  C      -4.616474     -5.924022      6.837125
  H      -1.466656     -1.787142      0.883657
  H      -1.684967      0.677972      0.639107
  H      -5.521326     -1.963533      2.362278
  H      -7.885333     -6.723283      4.416376
  H      -9.541096     -6.206818      6.173728
  H      -6.772640     -2.552687      4.277247
  H      -2.100567     -3.646319      6.639968
  H      -2.823383     -3.238729      9.014478
  H      -5.163170     -6.650026      6.239969
  N      -4.476551     -2.628672      4.744861
  N      -4.655503     -1.683043      5.357484
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.455851267158
  N      -3.324017     -3.424555      2.042917
  C      -2.725483     -4.295691      1.029767
  C      -2.591221     -5.703604      1.583314
  N      -3.774127     -6.044881      2.412760
  C      -5.006633     -6.267094      1.612639
  C      -6.215850     -6.136550      2.522635
  N      -6.065011     -4.941124      3.369526
  Mo     -4.198621     -4.256807      3.640178
  N      -3.204436     -5.376466      4.926008
  C      -2.673015     -6.683493      4.512833
  C      -3.473531     -7.190365      3.317850
  H      -2.739224     -7.410978      5.336565
  H      -1.602190     -6.586278      4.261044
  H      -4.431699     -7.590521      3.672588
  H      -2.948786     -7.987863      2.763907
  H      -7.131576     -6.064365      1.911544
  H      -6.320651     -7.049601      3.136276
  H      -5.038396     -5.486846      0.840621
  H      -4.983967     -7.251596      1.113180
  H      -1.723466     -3.948150      0.725690
  H      -3.347074     -4.282062      0.114559
  H      -1.715823     -5.756209      2.245056
  H      -2.453277     -6.438930      0.771623
  C      -3.448287     -2.062633      1.708440
  C      -2.390231     -1.307032      1.156786
  C      -2.490066      0.077725      1.030975
  C      -3.643042      0.718035      1.466862
  F      -3.701803      2.072713      1.408040
  C      -4.740796      0.001186      1.958268
  C      -5.955282      0.623853      2.506679
  O      -6.958413      0.002733      2.839184
  C      -6.035277      2.136116      2.785666
  O      -6.647258      2.910890      2.093993
  C      -5.341102      2.536802      4.116141
  O      -4.489778      1.866144      4.623438
  Cl     -5.892212      4.091432      4.762011
  C      -4.639587     -1.396263      2.015445
  C      -7.143401     -4.683226      4.242978
  C      -7.971786     -5.701631      4.761598
  C      -8.901022     -5.430738      5.766483
  C      -8.995670     -4.144312      6.275855
  F      -9.837730     -3.887058      7.308701
  C      -8.239426     -3.101003      5.742058
  C      -8.158627     -1.760934      6.396293
  O      -8.716593     -0.736924      6.044771
  C      -7.170810     -1.696195      7.579539
  O      -6.415279     -2.584778      7.910373
  C      -7.227750     -0.383024      8.371650
  O      -8.063351     -0.127649      9.182757
  Cl     -5.828456      0.679730      8.020233
  C      -7.357133     -3.371660      4.698650
  C      -3.567026     -5.201683      6.288680
  C      -2.923105     -4.219895      7.068709
  C      -3.313421     -3.980462      8.381343
  C      -4.350024     -4.734552      8.914882
  F      -4.740591     -4.483157     10.187807
  C      -5.020664     -5.718868      8.174868
  C      -6.157574     -6.477223      8.710625
  O      -6.855099     -7.246286      8.056079
  C      -6.506703     -6.435140     10.206810
  O      -6.010962     -7.199190     10.998761
  C      -7.642721     -5.442573     10.558932
  O      -8.064128     -4.636600      9.784021
  Cl     -8.205487     -5.592811     12.235598
  C      -4.617761     -5.931799      6.843955
  H      -1.456913     -1.794994      0.874233
  H      -1.665651      0.670908      0.634822
  H      -5.507040     -1.956031      2.367349
  H      -7.872364     -6.730190      4.418573
  H      -9.521630     -6.223142      6.185239
  H      -6.781070     -2.553774      4.275193
  H      -2.122680     -3.634072      6.615660
  H      -2.838276     -3.211880      8.990319
  H      -5.160492     -6.668356      6.255750
  N      -4.477420     -2.632577      4.745856
  N      -4.648314     -1.692205      5.368406
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.456312670893
  N      -3.319583     -3.425389      2.041057
  C      -2.717875     -4.297325      1.030464
  C      -2.593014     -5.706994      1.582061
  N      -3.781068     -6.044378      2.405781
  C      -5.011848     -6.257611      1.600356
  C      -6.223344     -6.127445      2.507710
  N      -6.068328     -4.938939      3.363503
  Mo     -4.201881     -4.257198      3.635102
  N      -3.214431     -5.382875      4.921609
  C      -2.691053     -6.693300      4.508399
  C      -3.490378     -7.193216      3.309832
  H      -2.764940     -7.421510      5.330832
  H      -1.618651     -6.603059      4.260648
  H      -4.452203     -7.588065      3.660553
  H      -2.968650     -7.992901      2.756248
  H      -7.136843     -6.045489      1.894536
  H      -6.334620     -7.044628      3.113762
  H      -5.037580     -5.472559      0.833065
  H      -4.991398     -7.239418      1.095551
  H      -1.712297     -3.953580      0.733990
  H      -3.333458     -4.279596      0.111309
  H      -1.720819     -5.765402      2.247513
  H      -2.455243     -6.441299      0.769424
  C      -3.438605     -2.063067      1.708227
  C      -2.381432     -1.311322      1.149607
  C      -2.477250      0.073894      1.024445
  C      -3.625178      0.718831      1.466794
  F      -3.678969      2.073704      1.408134
  C      -4.722759      0.005799      1.964707
  C      -5.933389      0.631880      2.517478
  O      -6.929669      0.011959      2.872601
  C      -6.017111      2.147002      2.776073
  O      -6.628379      2.911280      2.072213
  C      -5.338878      2.562644      4.109701
  O      -4.498533      1.893933      4.637332
  Cl     -5.886733      4.130921      4.724607
  C      -4.625575     -1.391723      2.022168
  C      -7.140510     -4.687262      4.246644
  C      -7.957952     -5.710336      4.773049
  C      -8.880972     -5.444732      5.785139
  C      -8.981223     -4.157954      6.292228
  F      -9.819592     -3.903353      7.328707
  C      -8.236330     -3.110286      5.750940
  C      -8.170061     -1.765663      6.397061
  O      -8.728988     -0.747960      6.028801
  C      -7.199036     -1.684831      7.592063
  O      -6.439720     -2.563992      7.938552
  C      -7.275599     -0.364829      8.371472
  O      -8.120963     -0.107232      9.171528
  Cl     -5.881045      0.705167      8.020546
  C      -7.358024     -3.376182      4.702884
  C      -3.573379     -5.206119      6.284734
  C      -2.938089     -4.212183      7.056614
  C      -3.326571     -3.968391      8.368900
  C      -4.352675     -4.730711      8.910948
  F      -4.742614     -4.475203     10.183196
  C      -5.014369     -5.727403      8.179349
  C      -6.141540     -6.494065      8.723654
  O      -6.840861     -7.265756      8.074060
  C      -6.487715     -6.444533     10.220350
  O      -5.976897     -7.192851     11.017682
  C      -7.634696     -5.463166     10.568116
  O      -8.066513     -4.667092      9.788662
  Cl     -8.191139     -5.607099     12.247469
  C      -4.613145     -5.945120      6.848765
  H      -1.451897     -1.802189      0.859768
  H      -1.653206      0.663886      0.622761
  H      -5.493774     -1.948406      2.377070
  H      -7.854083     -6.738533      4.430246
  H      -9.492830     -6.240825      6.209717
  H      -6.788507     -2.555207      4.275777
  H      -2.146130     -3.620215      6.596765
  H      -2.858448     -3.190282      8.971155
  H      -5.149710     -6.691614      6.267307
  N      -4.476195     -2.637012      4.748312
  N      -4.638395     -1.702306      5.381033
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.456738523778
  N      -3.314939     -3.426262      2.038577
  C      -2.710073     -4.299092      1.030617
  C      -2.594715     -5.710538      1.580394
  N      -3.787681     -6.043933      2.398670
  C      -5.017088     -6.247987      1.588604
  C      -6.230598     -6.117583      2.493676
  N      -6.071159     -4.935906      3.357783
  Mo     -4.204446     -4.257011      3.629938
  N      -3.224896     -5.389413      4.917480
  C      -2.708808     -6.702791      4.503976
  C      -3.506674     -7.195807      3.301766
  H      -2.790210     -7.431990      5.324817
  H      -1.634868     -6.618980      4.260463
  H      -4.472020     -7.585589      3.648379
  H      -2.987660     -7.997656      2.748776
  H      -7.141949     -6.026051      1.878642
  H      -6.348355     -7.038629      3.092432
  H      -5.036940     -5.458480      0.825796
  H      -4.999506     -7.227265      1.078790
  H      -1.700983     -3.959220      0.741801
  H      -3.319596     -4.277387      0.107554
  H      -1.725571     -5.774869      2.249284
  H      -2.457306     -6.443844      0.766776
  C      -3.429280     -2.063426      1.707602
  C      -2.372975     -1.314516      1.143300
  C      -2.465226      0.071173      1.019515
  C      -3.608832      0.719856      1.467385
  F      -3.658304      2.074937      1.409857
  C      -4.706441      0.009720      1.969739
  C      -5.913684      0.638341      2.526504
  O      -6.907031      0.020168      2.893039
  C      -6.003832      2.156031      2.764509
  O      -6.604976      2.910664      2.041681
  C      -5.340175      2.589040      4.099724
  O      -4.511067      1.923472      4.648703
  Cl     -5.884384      4.171270      4.681368
  C      -4.612753     -1.387955      2.026800
  C      -7.136642     -4.690017      4.250841
  C      -7.942585     -5.717757      4.785426
  C      -8.857981     -5.457657      5.805856
  C      -8.963074     -4.170736      6.311191
  F      -9.794741     -3.919403      7.353872
  C      -8.230647     -3.118562      5.761486
  C      -8.178195     -1.769700      6.399483
  O      -8.737815     -0.758428      6.014668
  C      -7.223641     -1.672855      7.605971
  O      -6.461346     -2.543138      7.967976
  C      -7.318356     -0.345847      8.371631
  O      -8.172283     -0.085944      9.161617
  Cl     -5.928193      0.729980      8.020192
  C      -7.357763     -3.379456      4.707693
  C      -3.579310     -5.210975      6.281304
  C      -2.950256     -4.207540      7.046276
  C      -3.337059     -3.958849      8.358171
  C      -4.355737     -4.725798      8.907748
  F      -4.744493     -4.466230     10.179491
  C      -5.011113     -5.731979      8.183447
  C      -6.132585     -6.502629      8.733828
  O      -6.825829     -7.284909      8.090384
  C      -6.472224     -6.452588     10.231745
  O      -5.944917     -7.188629     11.029803
  C      -7.634519     -5.489850     10.580644
  O      -8.080770     -4.701894      9.801183
  Cl     -8.184298     -5.640021     12.261657
  C      -4.611290     -5.954781      6.853435
  H      -1.446414     -1.807430      0.847562
  H      -1.641171      0.658530      0.613989
  H      -5.481731     -1.941988      2.383870
  H      -7.834258     -6.745591      4.442792
  H      -9.459963     -6.257595      6.237242
  H      -6.795455     -2.555500      4.276271
  H      -2.164539     -3.611677      6.580820
  H      -2.873499     -3.173387      8.954374
  H      -5.144599     -6.708152      6.277920
  N      -4.473752     -2.640399      4.749799
  N      -4.627312     -1.711395      5.393038
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.457140125359
  N      -3.309581     -3.426693      2.037501
  C      -2.700992     -4.300047      1.032272
  C      -2.595869     -5.713359      1.580036
  N      -3.794473     -6.042856      2.391596
  C      -5.021642     -6.237310      1.575906
  C      -6.237890     -6.106330      2.477609
  N      -6.074931     -4.931457      3.349620
  Mo     -4.208349     -4.256175      3.625087
  N      -3.239301     -5.396130      4.914755
  C      -2.729497     -6.711863      4.500636
  C      -3.524346     -7.197697      3.293856
  H      -2.818980     -7.442541      5.319309
  H      -1.653873     -6.633865      4.262551
  H      -4.493564     -7.582522      3.635103
  H      -3.007299     -8.001716      2.742162
  H      -7.146413     -6.005423      1.859850
  H      -6.362844     -7.030992      3.069176
  H      -5.034801     -5.443549      0.817440
  H      -5.006926     -7.214108      1.061241
  H      -1.688174     -3.964227      0.751996
  H      -3.303729     -4.274132      0.104917
  H      -1.730443     -5.783852      2.253101
  H      -2.458046     -6.445481      0.765399
  C      -3.418920     -2.063474      1.708954
  C      -2.362210     -1.317645      1.141006
  C      -2.450292      0.068408      1.017881
  C      -3.590415      0.721037      1.468693
  F      -3.635316      2.076263      1.411463
  C      -4.688949      0.014116      1.973884
  C      -5.893815      0.645922      2.531572
  O      -6.882710      0.029596      2.913336
  C      -5.989937      2.166116      2.747568
  O      -6.586013      2.908997      2.008512
  C      -5.344797      2.617265      4.085740
  O      -4.527897      1.956381      4.658347
  Cl     -5.887605      4.212611      4.631951
  C      -4.599140     -1.383701      2.031465
  C      -7.134855     -4.690498      4.250617
  C      -7.929898     -5.722540      4.792776
  C      -8.839698     -5.467084      5.819377
  C      -8.950408     -4.179693      6.321973
  F      -9.779024     -3.930230      7.367444
  C      -8.228962     -3.123710      5.764985
  C      -8.190265     -1.771032      6.394731
  O      -8.748211     -0.765683      5.992072
  C      -7.254622     -1.659651      7.614067
  O      -6.492564     -2.522270      7.993307
  C      -7.366744     -0.325613      8.364978
  O      -8.229501     -0.062689      9.144126
  Cl     -5.980038      0.754723      8.013219
  C      -7.360387     -3.380330      4.706773
  C      -3.588651     -5.216598      6.279365
  C      -2.960962     -4.208186      7.039170
  C      -3.343230     -3.956550      8.351768
  C      -4.355235     -4.726792      8.908992
  F      -4.738987     -4.465989     10.181890
  C      -5.007839     -5.739327      8.190920
  C      -6.121166     -6.515493      8.749793
  O      -6.818388     -7.298207      8.111082
  C      -6.447482     -6.469501     10.250650
  O      -5.905457     -7.200948     11.043097
  C      -7.615578     -5.518265     10.611325
  O      -8.073797     -4.730928      9.838242
  Cl     -8.151923     -5.679350     12.295784
  C      -4.613418     -5.964308      6.859751
  H      -1.438182     -1.812951      0.841412
  H      -1.625301      0.652733      0.609874
  H      -5.469726     -1.934688      2.389296
  H      -7.816631     -6.750171      4.450967
  H      -9.433106     -6.270282      6.256497
  H      -6.805240     -2.553359      4.271315
  H      -2.179520     -3.610419      6.568971
  H      -2.880397     -3.166944      8.943043
  H      -5.145917     -6.722637      6.289748
  N      -4.474097     -2.642946      4.750694
  N      -4.619972     -1.719445      5.403833
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.457526404537
  N      -3.305437     -3.426863      2.036948
  C      -2.695454     -4.300319      1.032852
  C      -2.598182     -5.715325      1.578350
  N      -3.800270     -6.041712      2.385654
  C      -5.026556     -6.227917      1.566878
  C      -6.244005     -6.096461      2.467215
  N      -6.076995     -4.927422      3.345611
  Mo     -4.210538     -4.255376      3.621997
  N      -3.249689     -5.401943      4.912767
  C      -2.745246     -6.719437      4.497166
  C      -3.538277     -7.198979      3.286891
  H      -2.841018     -7.451831      5.313613
  H      -1.668353     -6.646046      4.263221
  H      -4.510389     -7.579913      3.624201
  H      -3.023122     -8.004812      2.736047
  H      -7.150945     -5.987844      1.848415
  H      -6.374280     -7.024171      3.052780
  H      -5.035138     -5.430605      0.812112
  H      -5.015161     -7.202552      1.047981
  H      -1.679881     -3.968057      0.758337
  H      -3.293778     -4.270509      0.102786
  H      -1.734936     -5.791097      2.253641
  H      -2.460893     -6.446225      0.762483
  C      -3.411186     -2.063154      1.710822
  C      -2.354508     -1.320278      1.138565
  C      -2.439017      0.066024      1.015177
  C      -3.575914      0.722310      1.469012
  F      -3.617034      2.077589      1.410972
  C      -4.674714      0.018427      1.978080
  C      -5.877501      0.653371      2.536115
  O      -6.862436      0.039224      2.931764
  C      -5.980170      2.175683      2.729554
  O      -6.570374      2.906362      1.973790
  C      -5.350828      2.646402      4.068287
  O      -4.544979      1.991484      4.662807
  Cl     -5.891812      4.253995      4.579344
  C      -4.588220     -1.379510      2.036799
  C      -7.130190     -4.690972      4.255671
  C      -7.912065     -5.727183      4.808837
  C      -8.813978     -5.475845      5.843450
  C      -8.930706     -4.187416      6.341703
  F      -9.753185     -3.939447      7.392338
  C      -8.223485     -3.127636      5.773723
  C      -8.196575     -1.770467      6.393677
  O      -8.751952     -0.770302      5.974524
  C      -7.277701     -1.644619      7.623979
  O      -6.516999     -2.500772      8.021039
  C      -7.404096     -0.302178      8.358482
  O      -8.273246     -0.034376      9.128712
  Cl     -6.022563      0.782516      7.998726
  C      -7.360918     -3.380715      4.709536
  C      -3.594285     -5.222471      6.277931
  C      -2.969446     -4.210665      7.035760
  C      -3.350480     -3.957790      8.348491
  C      -4.358054     -4.730993      8.909586
  F      -4.741857     -4.468464     10.181984
  C      -5.006551     -5.748375      8.194491
  C      -6.114790     -6.529495      8.756393
  O      -6.810288     -7.315619      8.119848
  C      -6.435334     -6.487337     10.258484
  O      -5.883150     -7.214436     11.047925
  C      -7.611891     -5.548762     10.624129
  O      -8.080866     -4.765427      9.853472
  Cl     -8.141440     -5.717925     12.310124
  C      -4.613301     -5.974314      6.863302
  H      -1.433163     -1.818049      0.834841
  H      -1.613564      0.647350      0.603834
  H      -5.460124     -1.927442      2.396035
  H      -7.793257     -6.755024      4.469478
  H      -9.396455     -6.282303      6.289140
  H      -6.814806     -2.550813      4.267938
  H      -2.191378     -3.609900      6.563746
  H      -2.889814     -3.164600      8.936664
  H      -5.144793     -6.735740      6.296091
  N      -4.471706     -2.645567      4.752302
  N      -4.609671     -1.727226      5.413998
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.457908249901
  N      -3.301266     -3.426886      2.036589
  C      -2.689812     -4.300342      1.033492
  C      -2.600444     -5.717176      1.576698
  N      -3.806219     -6.040653      2.379387
  C      -5.031406     -6.218449      1.557246
  C      -6.250348     -6.085890      2.455770
  N      -6.079442     -4.922306      3.339880
  Mo     -4.213202     -4.254501      3.618871
  N      -3.262686     -5.408712      4.911090
  C      -2.761997     -6.727047      4.493518
  C      -3.552378     -7.200397      3.279333
  H      -2.863783     -7.461521      5.307394
  H      -1.683867     -6.657313      4.264005
  H      -4.527228     -7.578266      3.612073
  H      -3.038229     -8.007491      2.729346
  H      -7.155431     -5.969769      1.835580
  H      -6.386473     -7.016147      3.035918
  H      -5.035050     -5.417925      0.805874
  H      -5.023509     -7.190984      1.034296
  H      -1.671512     -3.971756      0.764708
  H      -3.283537     -4.266649      0.100647
  H      -1.739554     -5.798088      2.254440
  H      -2.463325     -6.446812      0.759635
  C      -3.403246     -2.062554      1.713413
  C      -2.344999     -1.322085      1.140378
  C      -2.425434      0.064450      1.017429
  C      -3.560350      0.723992      1.471641
  F      -3.597411      2.079364      1.413744
  C      -4.660668      0.022861      1.981279
  C      -5.862578      0.660798      2.537236
  O      -6.844465      0.048507      2.943661
  C      -5.973159      2.184860      2.708448
  O      -6.556854      2.902410      1.935160
  C      -5.363504      2.676044      4.048837
  O      -4.570008      2.028611      4.667699
  Cl     -5.904544      4.295218      4.522338
  C      -4.577838     -1.375400      2.040543
  C      -7.126593     -4.689581      4.257898
  C      -7.895054     -5.730036      4.821501
  C      -8.789548     -5.482597      5.863398
  C      -8.912298     -4.193190      6.357440
  F      -9.728939     -3.946738      7.412846
  C      -8.218930     -3.129745      5.779113
  C      -8.203502     -1.768896      6.389574
  O      -8.753166     -0.773380      5.951888
  C      -7.303319     -1.629573      7.632146
  O      -6.547194     -2.479991      8.047808
  C      -7.442006     -0.278665      8.348364
  O      -8.317314     -0.005653      9.109664
  Cl     -6.063188      0.807346      7.983442
  C      -7.362991     -3.379590      4.708886
  C      -3.601302     -5.229638      6.277220
  C      -2.973773     -4.219145      7.034642
  C      -3.351307     -3.966135      8.348485
  C      -4.356920     -4.739318      8.913011
  F      -4.736527     -4.477806     10.186794
  C      -5.006420     -5.757268      8.199588
  C      -6.109923     -6.541812      8.765760
  O      -6.807294     -7.328498      8.131891
  C      -6.420796     -6.505232     10.269842
  O      -5.855514     -7.227918     11.054130
  C      -7.603224     -5.578305     10.645631
  O      -8.082515     -4.795156      9.881315
  Cl     -8.121611     -5.758785     12.334119
  C      -4.617681     -5.982190      6.867024
  H      -1.425370     -1.822262      0.835432
  H      -1.598256      0.643079      0.605765
  H      -5.451736     -1.920369      2.399393
  H      -7.770428     -6.758052      4.484578
  H      -9.361076     -6.292138      6.317510
  H      -6.826346     -2.546737      4.260959
  H      -2.196192     -3.618310      6.561848
  H      -2.887961     -3.173236      8.934959
  H      -5.151432     -6.743747      6.302022
  N      -4.470361     -2.647309      4.753066
  N      -4.601592     -1.733706      5.422868
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.458291986340
  N      -3.298306     -3.426746      2.037299
  C      -2.687692     -4.299731      1.033417
  C      -2.603845     -5.718192      1.574134
  N      -3.811652     -6.039795      2.374196
  C      -5.036446     -6.211135      1.550222
  C      -6.255959     -6.077487      2.448000
  N      -6.081052     -4.917958      3.336170
  Mo     -4.215305     -4.254562      3.617115
  N      -3.272758     -5.414442      4.910119
  C      -2.774882     -6.733187      4.490217
  C      -3.563612     -7.201534      3.273014
  H      -2.880897     -7.469642      5.301818
  H      -1.695918     -6.666018      4.263782
  H      -4.540422     -7.577212      3.602466
  H      -3.050390     -8.009565      2.723504
  H      -7.160016     -5.955483      1.827440
  H      -6.396563     -7.009494      3.024200
  H      -5.036764     -5.408238      0.801376
  H      -5.031620     -7.181986      1.024064
  H      -1.667607     -3.974352      0.767400
  H      -3.279275     -4.262466      0.099357
  H      -1.744114     -5.803045      2.252891
  H      -2.467397     -6.446587      0.755820
  C      -3.397494     -2.061825      1.717046
  C      -2.337251     -1.323897      1.143817
  C      -2.413579      0.062749      1.020875
  C      -3.546835      0.725334      1.475109
  F      -3.580161      2.080772      1.416993
  C      -4.648575      0.026982      1.985321
  C      -5.849573      0.668279      2.538363
  O      -6.829294      0.058825      2.954590
  C      -5.966044      2.193569      2.688222
  O      -6.541765      2.899008      1.897914
  C      -5.375699      2.703442      4.030005
  O      -4.594457      2.063164      4.671463
  Cl     -5.916251      4.332706      4.468253
  C      -4.569620     -1.371502      2.045094
  C      -7.122230     -4.687870      4.261824
  C      -7.875605     -5.731808      4.839436
  C      -8.762323     -5.486700      5.888497
  C      -8.892366     -4.195455      6.375492
  F      -9.702884     -3.948968      7.435469
  C      -8.214666     -3.129231      5.783906
  C      -8.208410     -1.764181      6.383282
  O      -8.749343     -0.771427      5.928324
  C      -7.326832     -1.613077      7.637630
  O      -6.578038     -2.460093      8.073769
  C      -7.474525     -0.252643      8.334787
  O      -8.354559      0.027900      9.087852
  Cl     -6.099144      0.834091      7.958636
  C      -7.365599     -3.377413      4.707246
  C      -3.606518     -5.235608      6.276922
  C      -2.978108     -4.226603      7.035359
  C      -3.354669     -3.974632      8.349810
  C      -4.358872     -4.748764      8.915264
  F      -4.737667     -4.487991     10.189378
  C      -5.007497     -5.767503      8.201883
  C      -6.106141     -6.557144      8.770221
  O      -6.803603     -7.344672      8.137385
  C      -6.409709     -6.527025     10.276034
  O      -5.836062     -7.249319     11.054624
  C      -7.596630     -5.609932     10.660923
  O      -8.085187     -4.827249      9.902042
  Cl     -8.106018     -5.801113     12.351212
  C      -4.620306     -5.990675      6.868664
  H      -1.419483     -1.827010      0.838127
  H      -1.584749      0.638830      0.608983
  H      -5.445463     -1.913479      2.403638
  H      -7.744096     -6.760655      4.507635
  H      -9.321584     -6.298720      6.353267
  H      -6.839735     -2.541719      4.251388
  H      -2.201166     -3.624347      6.563245
  H      -2.890567     -3.181735      8.935698
  H      -5.154460     -6.752709      6.304146
  N      -4.468204     -2.650086      4.755036
  N      -4.593253     -1.740301      5.431296
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.458685355387
  N      -3.296127     -3.426770      2.038185
  C      -2.686674     -4.299337      1.033169
  C      -2.607476     -5.719455      1.571385
  N      -3.817305     -6.039735      2.368906
  C      -5.041615     -6.205060      1.542813
  C      -6.261948     -6.069715      2.439447
  N      -6.082914     -4.913527      3.331009
  Mo     -4.217590     -4.255791      3.615525
  N      -3.283609     -5.421742      4.908673
  C      -2.787028     -6.740011      4.486023
  C      -3.574220     -7.203733      3.265980
  H      -2.896235     -7.478556      5.295369
  H      -1.707455     -6.674522      4.261901
  H      -4.552572     -7.578203      3.592203
  H      -3.061308     -8.011808      2.716234
  H      -7.164803     -5.941931      1.818310
  H      -6.407438     -7.002813      3.012561
  H      -5.038434     -5.400235      0.796043
  H      -5.039458     -7.174364      1.013778
  H      -1.665147     -3.976938      0.768941
  H      -3.276668     -4.258822      0.098244
  H      -1.748887     -5.807625      2.251223
  H      -2.471440     -6.446603      0.751886
  C      -3.392059     -2.060902      1.721312
  C      -2.327926     -1.325142      1.151921
  C      -2.399354      0.061741      1.030595
  C      -3.532175      0.727152      1.482375
  F      -3.560936      2.082733      1.425664
  C      -4.637122      0.031578      1.989257
  C      -5.838687      0.676391      2.536844
  O      -6.817550      0.069215      2.958883
  C      -5.962573      2.202625      2.667080
  O      -6.529246      2.895472      1.859094
  C      -5.396504      2.731358      4.011728
  O      -4.629460      2.099097      4.677694
  Cl     -5.939264      4.369301      4.413889
  C      -4.562530     -1.367550      2.048375
  C      -7.118958     -4.685321      4.263409
  C      -7.856401     -5.733114      4.854386
  C      -8.734775     -5.490417      5.910884
  C      -8.871638     -4.197526      6.391644
  F      -9.674401     -3.951785      7.457471
  C      -8.210480     -3.128196      5.786769
  C      -8.212329     -1.759844      6.375803
  O      -8.739174     -0.768535      5.901082
  C      -7.351241     -1.598166      7.643581
  O      -6.613746     -2.442953      8.101387
  C      -7.503905     -0.227724      8.319449
  O      -8.387750      0.061271      9.064913
  Cl     -6.128833      0.855686      7.934911
  C      -7.369971     -3.374934      4.702609
  C      -3.611414     -5.243387      6.276770
  C      -2.977614     -4.239135      7.036496
  C      -3.351595     -3.988393      8.352210
  C      -4.356855     -4.760522      8.918194
  F      -4.732215     -4.501143     10.193658
  C      -5.009305     -5.776635      8.204313
  C      -6.105080     -6.568095      8.775494
  O      -6.805071     -7.354624      8.144238
  C      -6.399934     -6.543968     10.283151
  O      -5.816876     -7.265077     11.055904
  C      -7.589420     -5.635014     10.678879
  O      -8.085356     -4.849922      9.927453
  Cl     -8.089447     -5.838774     12.370686
  C      -4.626146     -5.997262      6.869557
  H      -1.411259     -1.831429      0.848151
  H      -1.567554      0.635827      0.621932
  H      -5.440923     -1.906853      2.404621
  H      -7.717588     -6.762656      4.527460
  H      -9.280965     -6.304900      6.386691
  H      -6.855664     -2.536473      4.238426
  H      -2.199137     -3.638208      6.565188
  H      -2.883107     -3.198333      8.938445
  H      -5.163200     -6.757240      6.304961
  N      -4.466976     -2.653260      4.757089
  N      -4.587317     -1.747021      5.438635
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.459083153363
  N      -3.294946     -3.426966      2.040055
  C      -2.688018     -4.299004      1.032943
  C      -2.611909     -5.720458      1.568581
  N      -3.823066     -6.040142      2.364563
  C      -5.046841     -6.201513      1.536461
  C      -6.268040     -6.064234      2.431708
  N      -6.085173     -4.910017      3.325458
  Mo     -4.220199     -4.258603      3.614552
  N      -3.292249     -5.428480      4.907218
  C      -2.796712     -6.746293      4.482110
  C      -3.583380     -7.206274      3.260021
  H      -2.907723     -7.486502      5.289757
  H      -1.716869     -6.682085      4.258913
  H      -4.562884     -7.579686      3.584059
  H      -3.071076     -8.014140      2.709433
  H      -7.169751     -5.931561      1.810000
  H      -6.417849     -6.997668      3.002959
  H      -5.040696     -5.395500      0.791010
  H      -5.045978     -7.169752      1.005535
  H      -1.665708     -3.979124      0.768553
  H      -3.278057     -4.255522      0.098164
  H      -1.754025     -5.811022      2.249009
  H      -2.476456     -6.446449      0.747988
  C      -3.387517     -2.060186      1.726338
  C      -2.318879     -1.326640      1.162072
  C      -2.385383      0.060435      1.042723
  C      -3.518023      0.728343      1.491675
  F      -3.542269      2.084095      1.437092
  C      -4.626490      0.035465      1.994263
  C      -5.828391      0.683997      2.536104
  O      -6.807924      0.079965      2.961402
  C      -5.956615      2.210804      2.649734
  O      -6.510438      2.893793      1.824424
  C      -5.416571      2.753934      3.998915
  O      -4.664783      2.127561      4.687483
  Cl     -5.960974      4.398703      4.369603
  C      -4.556555     -1.364163      2.051973
  C      -7.117215     -4.682469      4.263327
  C      -7.838631     -5.732713      4.869975
  C      -8.709152     -5.490548      5.932988
  C      -8.853069     -4.195508      6.405479
  F      -9.648531     -3.948842      7.476340
  C      -8.208499     -3.124473      5.785855
  C      -8.215723     -1.752854      6.364055
  O      -8.723753     -0.760609      5.870491
  C      -7.376764     -1.583722      7.645948
  O      -6.654436     -2.428936      8.127220
  C      -7.530373     -0.203143      8.301378
  O      -8.416977      0.096153      9.039607
  Cl     -6.153934      0.874648      7.907244
  C      -7.376525     -3.371411      4.694058
  C      -3.615621     -5.249775      6.276580
  C      -2.979421     -4.247361      7.035938
  C      -3.352267     -3.997245      8.352330
  C      -4.356939     -4.769538      8.918718
  F      -4.730153     -4.511061     10.195118
  C      -5.010401     -5.785705      8.205413
  C      -6.101183     -6.581105      8.780666
  O      -6.802020     -7.368689      8.151725
  C      -6.386933     -6.561536     10.290336
  O      -5.794542     -7.281008     11.057515
  C      -7.579909     -5.661810     10.696261
  O      -8.086305     -4.877964      9.950541
  Cl     -8.067556     -5.874113     12.390771
  C      -4.629669     -6.004879      6.869716
  H      -1.403342     -1.836369      0.860692
  H      -1.550636      0.633084      0.638074
  H      -5.437426     -1.901278      2.405311
  H      -7.692122     -6.763457      4.550108
  H      -9.242414     -6.306462      6.420804
  H      -6.873812     -2.530606      4.220837
  H      -2.201181     -3.646419      6.564288
  H      -2.882347     -3.208065      8.938593
  H      -5.166493     -6.765277      6.305020
  N      -4.466905     -2.658001      4.760845
  N      -4.583759     -1.754335      5.446398
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8020.681806163931
  N      -3.294032     -3.427490      2.042301
  C      -2.689519     -4.299407      1.033398
  C      -2.616417     -5.722027      1.566348
  N      -3.829348     -6.041109      2.360577
  C      -5.052286     -6.199237      1.529779
  C      -6.274932     -6.059496      2.422862
  N      -6.088444     -4.906680      3.318461
  Mo     -4.223100     -4.262565      3.613590
  N      -3.300137     -5.436459      4.904749
  C      -2.805780     -6.753846      4.477427
  C      -3.592574     -7.209893      3.253741
  H      -2.918115     -7.495528      5.283564
  H      -1.725815     -6.691088      4.254360
  H      -4.573187     -7.582056      3.575960
  H      -3.081270     -8.017101      2.701338
  H      -7.174986     -5.921669      1.799973
  H      -6.429403     -6.992906      2.992714
  H      -5.042658     -5.392361      0.785335
  H      -5.051687     -7.166719      0.997625
  H      -1.666567     -3.981764      0.768691
  H      -3.279792     -4.253074      0.098879
  H      -1.759619     -5.815050      2.247808
  H      -2.481556     -6.446836      0.744666
  C      -3.381807     -2.059537      1.731765
  C      -2.308077     -1.328102      1.174363
  C      -2.369531      0.059340      1.058394
  C      -3.502405      0.729703      1.503461
  F      -3.521554      2.085653      1.452124
  C      -4.615575      0.039558      1.999462
  C      -5.818790      0.691779      2.534343
  O      -6.799849      0.090450      2.960126
  C      -5.951951      2.219122      2.633200
  O      -6.491485      2.892584      1.790543
  C      -5.442264      2.775554      3.988353
  O      -4.707538      2.154954      4.700112
  Cl     -5.991361      4.425134      4.329138
  C      -4.550018     -1.360709      2.055248
  C      -7.117169     -4.679629      4.261213
  C      -7.822958     -5.732076      4.882294
  C      -8.684449     -5.490420      5.952687
  C      -8.833710     -4.193525      6.418357
  F      -9.619942     -3.946441      7.495704
  C      -8.206047     -3.120721      5.784143
  C      -8.216980     -1.746580      6.352989
  O      -8.701641     -0.752388      5.839497
  C      -7.402349     -1.571788      7.650269
  O      -6.698123     -2.418267      8.155563
  C      -7.553015     -0.181517      8.285471
  O      -8.441277      0.128597      9.017443
  Cl     -6.172251      0.887163      7.884715
  C      -7.384447     -3.367944      4.683506
  C      -3.619387     -5.257904      6.275805
  C      -2.981199     -4.255091      7.032258
  C      -3.352370     -4.003744      8.349133
  C      -4.355951     -4.775997      8.917353
  F      -4.726907     -4.516453     10.194392
  C      -5.010476     -5.793523      8.206636
  C      -6.097145     -6.590947      8.787066
  O      -6.799334     -7.379584      8.161087
  C      -6.373787     -6.574231     10.298467
  O      -5.770991     -7.289706     11.061283
  C      -7.571030     -5.684264     10.713317
  O      -8.088116     -4.902894      9.972402
  Cl     -8.046398     -5.903503     12.410433
  C      -4.632937     -6.013035      6.870100
  H      -1.393273     -1.840946      0.876050
  H      -1.531417      0.631120      0.659489
  H      -5.433394     -1.896402      2.404380
  H      -7.669412     -6.763768      4.568510
  H      -9.204827     -6.307551      6.452220
  H      -6.893003     -2.525322      4.201090
  H      -2.204032     -3.654887      6.558042
  H      -2.881821     -3.214285      8.934492
  H      -5.169221     -6.774322      6.306202
  N      -4.468383     -2.663766      4.765779
  N      -4.582761     -1.762868      5.454805
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.459490890016
  N      -3.293883     -3.427729      2.042302
  C      -2.689550     -4.299815      1.033478
  C      -2.616459     -5.722324      1.566142
  N      -3.829434     -6.041327      2.360380
  C      -5.052447     -6.199374      1.529396
  C      -6.275279     -6.059718      2.422260
  N      -6.088675     -4.906967      3.318109
  Mo     -4.222991     -4.263190      3.613448
  N      -3.299852     -5.437433      4.904201
  C      -2.805507     -6.754762      4.476933
  C      -3.592558     -7.210426      3.253243
  H      -2.917789     -7.496567      5.282954
  H      -1.725560     -6.692059      4.253756
  H      -4.573224     -7.582487      3.575432
  H      -3.081433     -8.017464      2.700448
  H      -7.175233     -5.921613      1.799294
  H      -6.429837     -6.993192      2.991957
  H      -5.042633     -5.392347      0.785128
  H      -5.051587     -7.166769      0.997134
  H      -1.666614     -3.982173      0.768754
  H      -3.279932     -4.253307      0.099029
  H      -1.759723     -5.815551      2.247627
  H      -2.481740     -6.447036      0.744363
  C      -3.381234     -2.059651      1.731699
  C      -2.307615     -1.328163      1.174369
  C      -2.369219      0.059340      1.058762
  C      -3.501953      0.729706      1.504021
  F      -3.520939      2.085666      1.452969
  C      -4.615276      0.039606      1.999959
  C      -5.818494      0.691988      2.535026
  O      -6.799605      0.090776      2.960752
  C      -5.951615      2.219439      2.634009
  O      -6.490854      2.892933      1.791181
  C      -5.442637      2.775741      3.989421
  O      -4.708418      2.154855      4.701384
  Cl     -5.991892      4.425198      4.330298
  C      -4.549590     -1.360683      2.055392
  C      -7.117378     -4.680012      4.261009
  C      -7.823004     -5.732453      4.882161
  C      -8.684151     -5.490796      5.952889
  C      -8.833110     -4.193878      6.418755
  F      -9.618931     -3.946903      7.496440
  C      -8.205605     -3.120989      5.784383
  C      -8.216392     -1.746812      6.353387
  O      -8.700102     -0.752258      5.839644
  C      -7.402564     -1.572026      7.651039
  O      -6.698775     -2.418681      8.156933
  C      -7.552603     -0.181565      8.286046
  O      -8.440701      0.128931      9.018084
  Cl     -6.171514      0.886517      7.885133
  C      -7.384521     -3.368207      4.683339
  C      -3.619582     -5.258575      6.275488
  C      -2.981632     -4.254252      7.031290
  C      -3.354483     -4.000975      8.347295
  C      -4.357578     -4.773792      8.916094
  F      -4.729468     -4.513068     10.192666
  C      -5.010714     -5.793008      8.206491
  C      -6.096646     -6.590927      8.787789
  O      -6.797840     -7.380926      8.162458
  C      -6.373300     -6.573164     10.299121
  O      -5.769633     -7.287135     11.062637
  C      -7.571632     -5.684271     10.713153
  O      -8.089605     -4.904271      9.971427
  Cl     -8.046739     -5.902452     12.410404
  C      -4.632900     -6.013686      6.870284
  H      -1.392756     -1.840785      0.875849
  H      -1.531222      0.631375      0.659962
  H      -5.432789     -1.896720      2.404460
  H      -7.669520     -6.764138      4.568275
  H      -9.204393     -6.307951      6.452538
  H      -6.893105     -2.525677      4.200848
  H      -2.204621     -3.654023      6.555811
  H      -2.885222     -3.210266      8.932156
  H      -5.168401     -6.775600      6.306904
  N      -4.468269     -2.664341      4.766317
  N      -4.582676     -1.763641      5.455446
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.459855873720
  N      -3.293195     -3.428426      2.045338
  C      -2.691503     -4.300585      1.034720
  C      -2.621261     -5.724069      1.564651
  N      -3.836049     -6.042406      2.357368
  C      -5.057991     -6.198271      1.523440
  C      -6.282491     -6.055832      2.413764
  N      -6.092670     -4.903814      3.310856
  Mo     -4.226036     -4.267891      3.612961
  N      -3.305714     -5.445417      4.901418
  C      -2.813478     -6.762796      4.472289
  C      -3.601602     -7.214458      3.247631
  H      -2.926717     -7.505748      5.277113
  H      -1.733554     -6.702026      4.248429
  H      -4.583363     -7.584696      3.568739
  H      -3.092274     -8.020825      2.692300
  H      -7.180507     -5.912805      1.789246
  H      -6.441618     -6.988948      2.982611
  H      -5.044656     -5.390790      0.779761
  H      -5.056456     -7.165326      0.990765
  H      -1.668124     -3.984855      0.769281
  H      -3.282564     -4.251268      0.100806
  H      -1.765695     -5.819832      2.247232
  H      -2.487400     -6.447646      0.741802
  C      -3.374846     -2.059274      1.737555
  C      -2.296255     -1.330063      1.187076
  C      -2.352974      0.057830      1.075044
  C      -3.485831      0.730611      1.516387
  F      -3.499770      2.086743      1.468694
  C      -4.603995      0.043185      2.005357
  C      -5.808678      0.698980      2.533061
  O      -6.792161      0.100466      2.957098
  C      -5.945475      2.226801      2.619643
  O      -6.467877      2.892613      1.760062
  C      -5.469200      2.793256      3.982315
  O      -4.752972      2.176862      4.716229
  Cl     -6.024106      4.445838      4.296843
  C      -4.542452     -1.357525      2.058878
  C      -7.118771     -4.676804      4.257712
  C      -7.809781     -5.730339      4.893283
  C      -8.661689     -5.488124      5.971231
  C      -8.814642     -4.189314      6.430253
  F      -9.591204     -3.940999      7.514080
  C      -8.203114     -3.115576      5.781378
  C      -8.215483     -1.739373      6.341813
  O      -8.672605     -0.741765      5.809118
  C      -7.427909     -1.561337      7.655360
  O      -6.744812     -2.410358      8.185554
  C      -7.571759     -0.161929      8.271779
  O      -8.460328      0.160050      8.998532
  Cl     -6.184256      0.894552      7.865466
  C      -7.393281     -3.364007      4.671103
  C      -3.622725     -5.266680      6.274147
  C      -2.986860     -4.257799      7.024773
  C      -3.360532     -4.000351      8.339817
  C      -4.359964     -4.775525      8.911671
  F      -4.731556     -4.511820     10.187896
  C      -5.009770     -5.800344      8.206989
  C      -6.089663     -6.602018      8.794639
  O      -6.790270     -7.395499      8.173157
  C      -6.357174     -6.585488     10.307608
  O      -5.741308     -7.292600     11.067757
  C      -7.562073     -5.708943     10.729073
  O      -8.093404     -4.935042      9.990393
  Cl     -8.023170     -5.930888     12.429605
  C      -4.633360     -6.023624      6.870761
  H      -1.382113     -1.845564      0.891312
  H      -1.511804      0.629236      0.682012
  H      -5.427952     -1.892700      2.403355
  H      -7.650063     -6.763046      4.585617
  H      -9.169997     -6.305726      6.482276
  H      -6.912440     -2.520328      4.179061
  H      -2.213252     -3.657231      6.545045
  H      -2.894648     -3.206020      8.922361
  H      -5.165341     -6.789330      6.309158
  N      -4.470965     -2.670769      4.772732
  N      -4.583806     -1.772454      5.464773
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.460197471260
  N      -3.289426     -3.428067      2.051389
  C      -2.688477     -4.300682      1.040877
  C      -2.625395     -5.725056      1.567034
  N      -3.843815     -6.040579      2.356078
  C      -5.063342     -6.194004      1.517998
  C      -6.290467     -6.048754      2.404513
  N      -6.100221     -4.898174      3.303007
  Mo     -4.230134     -4.269578      3.612961
  N      -3.309856     -5.452671      4.898352
  C      -2.825382     -6.772882      4.468276
  C      -3.614559     -7.217235      3.242349
  H      -2.942928     -7.517007      5.271241
  H      -1.744864     -6.717309      4.245729
  H      -4.598908     -7.581945      3.562073
  H      -3.109974     -8.024286      2.683734
  H      -7.185049     -5.900759      1.776320
  H      -6.454315     -6.982465      2.971227
  H      -5.045262     -5.386009      0.775007
  H      -5.060516     -7.161504      0.986347
  H      -1.663649     -3.986756      0.778751
  H      -3.278030     -4.246857      0.106218
  H      -1.772719     -5.827110      2.252231
  H      -2.493036     -6.446930      0.742475
  C      -3.361254     -2.058854      1.745069
  C      -2.280856     -1.332232      1.195991
  C      -2.334996      0.056037      1.084710
  C      -3.466896      0.731208      1.522940
  F      -3.478045      2.087270      1.474854
  C      -4.587981      0.045285      2.008400
  C      -5.794674      0.701461      2.528250
  O      -6.780382      0.104983      2.949333
  C      -5.933924      2.229103      2.601981
  O      -6.434222      2.889614      1.725433
  C      -5.493785      2.801967      3.974110
  O      -4.795065      2.190791      4.729660
  Cl     -6.059488      4.454608      4.265705
  C      -4.527699     -1.354189      2.063877
  C      -7.123805     -4.672199      4.252468
  C      -7.806423     -5.723502      4.900496
  C      -8.649429     -5.478887      5.985190
  C      -8.801270     -4.178592      6.438650
  F      -9.571525     -3.926110      7.525756
  C      -8.199324     -3.106413      5.777843
  C      -8.210220     -1.729215      6.332646
  O      -8.643694     -0.728279      5.785508
  C      -7.454175     -1.553698      7.662247
  O      -6.790652     -2.404781      8.213978
  C      -7.592272     -0.150031      8.269594
  O      -8.480706      0.181146      8.992480
  Cl     -6.195422      0.893129      7.862467
  C      -7.401370     -3.356798      4.659345
  C      -3.628154     -5.276157      6.270755
  C      -3.006433     -4.250651      7.009820
  C      -3.380624     -3.984217      8.322024
  C      -4.367464     -4.768201      8.903648
  F      -4.739982     -4.498934     10.178131
  C      -5.003277     -5.808607      8.210227
  C      -6.071832     -6.618431      8.807374
  O      -6.768961     -7.420202      8.192218
  C      -6.327786     -6.600855     10.321935
  O      -5.691290     -7.291728     11.080004
  C      -7.548677     -5.748465     10.747369
  O      -8.103794     -4.992997     10.006655
  Cl     -7.989336     -5.966421     12.453544
  C      -4.625707     -6.040686      6.875475
  H      -1.366866     -1.847675      0.899594
  H      -1.492249      0.626192      0.693121
  H      -5.414517     -1.889840      2.404315
  H      -7.644834     -6.757264      4.597454
  H      -9.151335     -6.295444      6.504078
  H      -6.927157     -2.514147      4.158275
  H      -2.243287     -3.647042      6.520976
  H      -2.926862     -3.177983      8.897325
  H      -5.148442     -6.818173      6.320865
  N      -4.477418     -2.675867      4.781669
  N      -4.589200     -1.780693      5.479402
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.460523204065
  N      -3.287991     -3.427901      2.053625
  C      -2.690275     -4.300193      1.040926
  C      -2.629565     -5.725669      1.565007
  N      -3.848056     -6.039856      2.353895
  C      -5.068610     -6.189768      1.516550
  C      -6.295245     -6.041990      2.403598
  N      -6.101465     -4.892872      3.302503
  Mo     -4.231295     -4.268738      3.613755
  N      -3.315697     -5.456476      4.899378
  C      -2.832321     -6.776261      4.466556
  C      -3.621073     -7.217422      3.239236
  H      -2.951862     -7.522162      5.267605
  H      -1.751396     -6.721410      4.245761
  H      -4.606109     -7.581311      3.557733
  H      -3.117236     -8.024930      2.680652
  H      -7.189548     -5.891238      1.775542
  H      -6.462276     -6.975727      2.969351
  H      -5.049472     -5.381850      0.773433
  H      -5.069277     -7.157119      0.984599
  H      -1.665044     -3.988481      0.778002
  H      -3.280740     -4.243922      0.106981
  H      -1.776524     -5.830288      2.249377
  H      -2.498619     -6.446589      0.739347
  C      -3.357298     -2.057476      1.749985
  C      -2.274189     -1.333576      1.202331
  C      -2.324792      0.054830      1.089985
  C      -3.456534      0.733309      1.524941
  F      -3.463982      2.089196      1.475121
  C      -4.580108      0.050468      2.009372
  C      -5.789032      0.709860      2.521553
  O      -6.774155      0.115320      2.947325
  C      -5.935859      2.237461      2.576140
  O      -6.426563      2.885640      1.684962
  C      -5.518446      2.828144      3.947566
  O      -4.833660      2.226517      4.722598
  Cl     -6.087252      4.485255      4.207704
  C      -4.522334     -1.349509      2.067451
  C      -7.119032     -4.666788      4.257991
  C      -7.786101     -5.719083      4.919932
  C      -8.618667     -5.473573      6.012446
  C      -8.775261     -4.170947      6.458343
  F      -9.535361     -3.916355      7.551951
  C      -8.190698     -3.097921      5.782346
  C      -8.204878     -1.717544      6.327256
  O      -8.621849     -0.719068      5.762543
  C      -7.468521     -1.534132      7.668421
  O      -6.819533     -2.383496      8.239197
  C      -7.605096     -0.121350      8.256106
  O      -8.493096      0.220787      8.974472
  Cl     -6.205957      0.912998      7.835766
  C      -7.403360     -3.350034      4.656137
  C      -3.631122     -5.282399      6.272343
  C      -3.009866     -4.259343      7.016734
  C      -3.384840     -3.998000      8.330108
  C      -4.371971     -4.784090      8.909236
  F      -4.746453     -4.518199     10.183804
  C      -5.005669     -5.823570      8.211986
  C      -6.071670     -6.639188      8.805797
  O      -6.767095     -7.440199      8.187663
  C      -6.325473     -6.631366     10.320655
  O      -5.682060     -7.321250     11.073777
  C      -7.552369     -5.791513     10.752527
  O      -8.115776     -5.037771     10.016675
  Cl     -7.987054     -6.021066     12.458907
  C      -4.627254     -6.050588      6.876847
  H      -1.361046     -1.851464      0.907565
  H      -1.479599      0.622132      0.699604
  H      -5.411202     -1.882323      2.406897
  H      -7.618720     -6.753665      4.622211
  H      -9.107481     -6.290386      6.543281
  H      -6.941106     -2.506750      4.143064
  H      -2.245025     -3.652409      6.531479
  H      -2.930973     -3.193136      8.907680
  H      -5.149418     -6.827271      6.321200
  N      -4.476721     -2.676825      4.783014
  N      -4.584088     -1.784408      5.483009
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.460993161102
  N      -3.284956     -3.427070      2.061100
  C      -2.692192     -4.292862      1.038003
  C      -2.636644     -5.723117      1.552041
  N      -3.854651     -6.039638      2.342851
  C      -5.077717     -6.183073      1.508088
  C      -6.301349     -6.035585      2.399978
  N      -6.103973     -4.890742      3.301820
  Mo     -4.232556     -4.273548      3.616341
  N      -3.319641     -5.472596      4.895782
  C      -2.841103     -6.790809      4.453628
  C      -3.630364     -7.221547      3.223067
  H      -2.963379     -7.541670      5.249532
  H      -1.759844     -6.737527      4.234252
  H      -4.616376     -7.584920      3.539517
  H      -3.129037     -8.027884      2.660653
  H      -7.196536     -5.880486      1.774174
  H      -6.470505     -6.971317      2.962011
  H      -5.059015     -5.372778      0.767410
  H      -5.083153     -7.148796      0.973117
  H      -1.666214     -3.983312      0.775489
  H      -3.284939     -4.227801      0.106057
  H      -1.782120     -5.836006      2.233321
  H      -2.510007     -6.438752      0.721075
  C      -3.347923     -2.054363      1.772199
  C      -2.258698     -1.327884      1.239410
  C      -2.307877      0.060535      1.128714
  C      -3.445377      0.737918      1.549579
  F      -3.453464      2.093586      1.499488
  C      -4.573813      0.053262      2.019882
  C      -5.791695      0.711084      2.511128
  O      -6.778392      0.116094      2.932919
  C      -5.948617      2.237589      2.543643
  O      -6.424132      2.872680      1.634946
  C      -5.550911      2.847631      3.912124
  O      -4.876821      2.257548      4.705054
  Cl     -6.120465      4.509713      4.138820
  C      -4.515203     -1.346672      2.080142
  C      -7.115562     -4.666078      4.263859
  C      -7.771018     -5.717991      4.937593
  C      -8.594798     -5.470771      6.036718
  C      -8.752647     -4.166697      6.477784
  F      -9.508299     -3.909345      7.573508
  C      -8.178375     -3.094153      5.791232
  C      -8.195732     -1.710278      6.325493
  O      -8.596196     -0.714858      5.743346
  C      -7.485197     -1.516911      7.679287
  O      -6.852815     -2.362833      8.272612
  C      -7.618353     -0.094483      8.245439
  O      -8.505105      0.262566      8.957993
  Cl     -6.214079      0.926583      7.809915
  C      -7.403015     -3.348950      4.657555
  C      -3.628635     -5.302306      6.269438
  C      -3.007842     -4.277296      7.012157
  C      -3.379356     -4.012358      8.325646
  C      -4.364267     -4.796777      8.910219
  F      -4.740523     -4.523319     10.182451
  C      -4.993740     -5.842527      8.218948
  C      -6.060195     -6.654964      8.815262
  O      -6.754204     -7.460811      8.201658
  C      -6.320296     -6.633447     10.328949
  O      -5.671148     -7.306577     11.092338
  C      -7.559912     -5.804896     10.745672
  O      -8.131776     -5.069913      9.997552
  Cl     -7.996560     -6.016211     12.454008
  C      -4.614544     -6.077630      6.885981
  H      -1.342311     -1.844448      0.952412
  H      -1.457877      0.627659      0.748666
  H      -5.408941     -1.879874      2.405601
  H      -7.601505     -6.753209      4.643009
  H      -9.076030     -6.287031      6.575205
  H      -6.950313     -2.507060      4.135562
  H      -2.246825     -3.668236      6.524411
  H      -2.926594     -3.203141      8.897838
  H      -5.138359     -6.860758      6.335564
  N      -4.479057     -2.689016      4.795184
  N      -4.583703     -1.796817      5.495994
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.461341054183
  N      -3.278898     -3.429041      2.071451
  C      -2.690247     -4.286288      1.037053
  C      -2.642698     -5.721914      1.537894
  N      -3.862552     -6.040436      2.326629
  C      -5.086579     -6.173627      1.490860
  C      -6.309901     -6.027527      2.384095
  N      -6.110978     -4.889251      3.291868
  Mo     -4.238692     -4.281141      3.617276
  N      -3.334867     -5.495918      4.891535
  C      -2.860124     -6.810896      4.439486
  C      -3.645413     -7.227305      3.201762
  H      -2.988706     -7.568504      5.227955
  H      -1.777616     -6.759234      4.225749
  H      -4.633874     -7.590283      3.511101
  H      -3.144716     -8.032161      2.636727
  H      -7.204200     -5.866668      1.758142
  H      -6.483909     -6.966297      2.939740
  H      -5.065081     -5.359276      0.754577
  H      -5.096790     -7.136244      0.950459
  H      -1.662595     -3.979764      0.778606
  H      -3.283595     -4.209372      0.106510
  H      -1.788759     -5.845582      2.218084
  H      -2.519348     -6.430970      0.700869
  C      -3.331758     -2.052524      1.803957
  C      -2.230050     -1.322349      1.302011
  C      -2.275287      0.066299      1.195960
  C      -3.422176      0.742859      1.590810
  F      -3.428949      2.098409      1.543314
  C      -4.561143      0.056989      2.033529
  C      -5.791372      0.716149      2.492377
  O      -6.786215      0.122962      2.897570
  C      -5.952186      2.242418      2.501658
  O      -6.421897      2.864382      1.580933
  C      -5.580936      2.868371      3.869583
  O      -4.920896      2.287333      4.680166
  Cl     -6.152882      4.533841      4.066573
  C      -4.504068     -1.343657      2.092491
  C      -7.121879     -4.664777      4.254697
  C      -7.776159     -5.715686      4.930061
  C      -8.602470     -5.465399      6.027165
  C      -8.760697     -4.160018      6.465758
  F      -9.526236     -3.899962      7.553450
  C      -8.181118     -3.088397      5.780231
  C      -8.201968     -1.701447      6.307538
  O      -8.586727     -0.708189      5.711077
  C      -7.520937     -1.498586      7.674838
  O      -6.905531     -2.341301      8.289739
  C      -7.650713     -0.067537      8.221859
  O      -8.537533      0.305926      8.925699
  Cl     -6.236677      0.937123      7.778731
  C      -7.409198     -3.347361      4.646021
  C      -3.637508     -5.324018      6.265871
  C      -3.008956     -4.293889      7.002101
  C      -3.369645     -4.020202      8.316736
  C      -4.348663     -4.801520      8.916442
  F      -4.718825     -4.515754     10.187748
  C      -4.978877     -5.855762      8.238307
  C      -6.040335     -6.664470      8.848403
  O      -6.736739     -7.477018      8.246653
  C      -6.275349     -6.647582     10.366414
  O      -5.613577     -7.322765     11.117079
  C      -7.510420     -5.824458     10.806160
  O      -8.090167     -5.081333     10.072727
  Cl     -7.915200     -6.038626     12.521823
  C      -4.609927     -6.103400      6.905868
  H      -1.307179     -1.837408      1.033228
  H      -1.415502      0.633290      0.838403
  H      -5.406277     -1.877079      2.393460
  H      -7.607290     -6.751459      4.636287
  H      -9.087118     -6.280292      6.564710
  H      -6.957950     -2.508873      4.120335
  H      -2.250352     -3.685883      6.503555
  H      -2.912356     -3.205781      8.878701
  H      -5.137494     -6.895332      6.369321
  N      -4.492631     -2.704372      4.806405
  N      -4.599226     -1.812478      5.506458
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.461601004975
  N      -3.279116     -3.431993      2.076862
  C      -2.699414     -4.281644      1.031416
  C      -2.653920     -5.721461      1.523600
  N      -3.870972     -6.042008      2.315509
  C      -5.098351     -6.169164      1.484557
  C      -6.318017     -6.023335      2.383045
  N      -6.113408     -4.889099      3.293083
  Mo     -4.241048     -4.288475      3.619212
  N      -3.337595     -5.510681      4.886453
  C      -2.866026     -6.822677      4.424621
  C      -3.653776     -7.231446      3.186260
  H      -2.994147     -7.584923      5.208913
  H      -1.783822     -6.771025      4.208687
  H      -4.641815     -7.595214      3.495795
  H      -3.154859     -8.035174      2.617725
  H      -7.214020     -5.858330      1.760339
  H      -6.493758     -6.963579      2.935862
  H      -5.077918     -5.352540      0.750771
  H      -5.113621     -7.129780      0.940620
  H      -1.672506     -3.976347      0.768890
  H      -3.298997     -4.196886      0.105786
  H      -1.797323     -5.851179      2.199524
  H      -2.536372     -6.426355      0.682304
  C      -3.327108     -2.052996      1.826333
  C      -2.214805     -1.320153      1.350957
  C      -2.255412      0.068637      1.251391
  C      -3.409899      0.743505      1.627322
  F      -3.416537      2.099292      1.584920
  C      -4.555947      0.055978      2.046892
  C      -5.794242      0.715271      2.481009
  O      -6.795324      0.122614      2.871560
  C      -5.958713      2.241004      2.471097
  O      -6.414814      2.851621      1.536000
  C      -5.611430      2.882407      3.838273
  O      -4.963851      2.310921      4.665959
  Cl     -6.187939      4.549654      4.007705
  C      -4.502101     -1.345101      2.100727
  C      -7.118636     -4.664312      4.262204
  C      -7.762095     -5.714371      4.949763
  C      -8.579674     -5.461331      6.052544
  C      -8.739875     -4.154780      6.485512
  F      -9.497162     -3.893196      7.578194
  C      -8.169281     -3.084231      5.790332
  C      -8.191583     -1.695215      6.307785
  O      -8.562337     -0.704583      5.697876
  C      -7.532773     -1.483526      7.684825
  O      -6.933829     -2.322997      8.319436
  C      -7.657703     -0.044467      8.211764
  O      -8.541918      0.343504      8.910787
  Cl     -6.237119      0.946379      7.756898
  C      -7.407991     -3.347087      4.649066
  C      -3.630423     -5.339867      6.259642
  C      -3.007883     -4.303793      6.988641
  C      -3.366718     -4.021855      8.302014
  C      -4.337767     -4.804602      8.910217
  F      -4.708939     -4.509655     10.178992
  C      -4.958558     -5.870598      8.241874
  C      -6.015739     -6.680091      8.858149
  O      -6.714239     -7.495434      8.262584
  C      -6.265015     -6.637406     10.373691
  O      -5.598543     -7.285942     11.143510
  C      -7.515737     -5.823754     10.786548
  O      -8.119469     -5.128478     10.025706
  Cl     -7.958423     -6.042667     12.492507
  C      -4.589466     -6.126234      6.911330
  H      -1.287895     -1.836263      1.097844
  H      -1.387743      0.635928      0.913939
  H      -5.410434     -1.878104      2.384213
  H      -7.590653     -6.751079      4.660856
  H      -9.056035     -6.275156      6.599076
  H      -6.964106     -2.509618      4.113452
  H      -2.258233     -3.692041      6.486125
  H      -2.912625     -3.199915      8.854795
  H      -5.112968     -6.927169      6.383431
  N      -4.495468     -2.717700      4.816062
  N      -4.601380     -1.825918      5.517253
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.461722847248
  N      -3.280749     -3.434517      2.081810
  C      -2.711199     -4.278160      1.027699
  C      -2.665027     -5.720908      1.513597
  N      -3.878214     -6.042699      2.309294
  C      -5.109194     -6.165701      1.483989
  C      -6.325439     -6.019800      2.387094
  N      -6.113979     -4.888231      3.298471
  Mo     -4.241987     -4.294046      3.622356
  N      -3.337146     -5.520379      4.883044
  C      -2.866915     -6.829602      4.412872
  C      -3.658594     -7.234115      3.175898
  H      -2.992360     -7.595688      5.194166
  H      -1.785447     -6.776929      4.192804
  H      -4.645380     -7.599202      3.487558
  H      -3.161076     -8.036700      2.604079
  H      -7.223308     -5.851271      1.767861
  H      -6.502067     -6.960873      2.938385
  H      -5.090396     -5.347427      0.752098
  H      -5.128582     -7.124669      0.937113
  H      -1.685996     -3.972902      0.758279
  H      -3.318399     -4.187914      0.107725
  H      -1.805223     -5.853994      2.184945
  H      -2.553147     -6.422980      0.669197
  C      -3.326416     -2.053168      1.843543
  C      -2.204452     -1.318349      1.393541
  C      -2.241049      0.070675      1.301150
  C      -3.403052      0.743279      1.659729
  F      -3.410508      2.099452      1.622745
  C      -4.555197      0.054050      2.056987
  C      -5.801000      0.712898      2.467592
  O      -6.806305      0.119778      2.846124
  C      -5.970321      2.238327      2.442400
  O      -6.402501      2.839635      1.490020
  C      -5.640189      2.895999      3.806644
  O      -5.004092      2.333672      4.649922
  Cl     -6.219533      4.564813      3.950097
  C      -4.504194     -1.347379      2.104299
  C      -7.112417     -4.662425      4.275154
  C      -7.741410     -5.711529      4.978473
  C      -8.545665     -5.455438      6.089806
  C      -8.708861     -4.147432      6.515561
  F      -9.450274     -3.884741      7.618594
  C      -8.154200     -3.078017      5.805839
  C      -8.178398     -1.686703      6.311447
  O      -8.536744     -0.699854      5.687601
  C      -7.537463     -1.464067      7.695762
  O      -6.953706     -2.299135      8.349792
  C      -7.658063     -0.016754      8.200664
  O      -8.539543      0.385212      8.895067
  Cl     -6.233366      0.962122      7.731237
  C      -7.404883     -3.345023      4.656052
  C      -3.621587     -5.352826      6.254852
  C      -3.011283     -4.311689      6.980353
  C      -3.374286     -4.027345      8.292290
  C      -4.338258     -4.815932      8.901743
  F      -4.714643     -4.519165     10.168488
  C      -4.945618     -5.891487      8.236455
  C      -5.998708     -6.707854      8.850950
  O      -6.688663     -7.530646      8.255512
  C      -6.272862     -6.643078     10.361508
  O      -5.606333     -7.265083     11.152952
  C      -7.554928     -5.860675     10.737694
  O      -8.141649     -5.163924      9.964590
  Cl     -7.974175     -5.999188     12.458270
  C      -4.570433     -6.147504      6.907746
  H      -1.274323     -1.836476      1.156116
  H      -1.366645      0.639056      0.983544
  H      -5.417303     -1.880356      2.372986
  H      -7.565464     -6.749313      4.696510
  H      -9.008530     -6.268065      6.649638
  H      -6.970079     -2.507866      4.108400
  H      -2.270780     -3.693206      6.479144
  H      -2.927206     -3.199412      8.840789
  H      -5.085111     -6.954833      6.382400
  N      -4.493900     -2.727378      4.824254
  N      -4.598965     -1.835231      5.526053
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.462078784608
  N      -3.276782     -3.434834      2.087366
  C      -2.710338     -4.280499      1.033985
  C      -2.667565     -5.722677      1.517104
  N      -3.883199     -6.040962      2.310341
  C      -5.113554     -6.160623      1.481507
  C      -6.333011     -6.012131      2.379997
  N      -6.119231     -4.881305      3.293527
  Mo     -4.245348     -4.293216      3.623590
  N      -3.346931     -5.525732      4.884106
  C      -2.877128     -6.835318      4.414020
  C      -3.667653     -7.235578      3.174781
  H      -3.005300     -7.603093      5.193119
  H      -1.795129     -6.784185      4.196471
  H      -4.656343     -7.598396      3.483391
  H      -3.170964     -8.037904      2.602084
  H      -7.228133     -5.839604      1.758043
  H      -6.514152     -6.953135      2.929816
  H      -5.090382     -5.341718      0.750469
  H      -5.132804     -7.119059      0.933874
  H      -1.684511     -3.977154      0.764557
  H      -3.317550     -4.187351      0.114050
  H      -1.809401     -5.858743      2.189663
  H      -2.556235     -6.423850      0.671829
  C      -3.316013     -2.051479      1.848353
  C      -2.188885     -1.318815      1.409905
  C      -2.223367      0.070755      1.318875
  C      -3.387634      0.745509      1.666270
  F      -3.391420      2.101654      1.629615
  C      -4.545861      0.059130      2.052701
  C      -5.796273      0.721544      2.448929
  O      -6.803777      0.130829      2.824607
  C      -5.968747      2.247416      2.410672
  O      -6.383401      2.840170      1.445199
  C      -5.658949      2.918575      3.772906
  O      -5.036954      2.363455      4.630471
  Cl     -6.241809      4.587639      3.892990
  C      -4.496178     -1.342805      2.099556
  C      -7.117076     -4.653272      4.270862
  C      -7.740306     -5.700793      4.980822
  C      -8.541842     -5.441331      6.093546
  C      -8.706334     -4.131021      6.513792
  F      -9.449644     -3.865050      7.614681
  C      -8.156850     -3.062813      5.797080
  C      -8.182598     -1.669102      6.296682
  O      -8.525618     -0.683606      5.661523
  C      -7.560159     -1.439304      7.688717
  O      -6.989714     -2.272013      8.359087
  C      -7.677751      0.013666      8.179277
  O      -8.560830      0.425032      8.866338
  Cl     -6.249379      0.983649      7.703927
  C      -7.411639     -3.333238      4.644796
  C      -3.632103     -5.358344      6.258990
  C      -3.019418     -4.313206      6.984765
  C      -3.380982     -4.032549      8.298079
  C      -4.341731     -4.826717      8.909347
  F      -4.714561     -4.535231     10.178593
  C      -4.950316     -5.901541      8.243210
  C      -5.997059     -6.724000      8.861138
  O      -6.677800     -7.555513      8.267472
  C      -6.239892     -6.691382     10.377460
  O      -5.549337     -7.318965     11.143449
  C      -7.514831     -5.919691     10.797001
  O      -8.131604     -5.224985     10.046135
  Cl     -7.911788     -6.114496     12.517114
  C      -4.580685     -6.153428      6.912185
  H      -1.257201     -1.837927      1.181096
  H      -1.345559      0.639018      1.010602
  H      -5.411337     -1.875963      2.360622
  H      -7.561984     -6.739451      4.702879
  H      -9.001693     -6.252368      6.658235
  H      -6.980417     -2.498435      4.090665
  H      -2.276896     -3.693802      6.479032
  H      -2.934348     -3.205021      8.848887
  H      -5.093168     -6.960348      6.387129
  N      -4.496772     -2.726066      4.827084
  N      -4.603223     -1.835185      5.528380
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.462274954613
  N      -3.277295     -3.435409      2.091868
  C      -2.720135     -4.278688      1.031892
  C      -2.677281     -5.722004      1.511524
  N      -3.890147     -6.039368      2.309510
  C      -5.123712     -6.157006      1.485353
  C      -6.340056     -6.006824      2.387731
  N      -6.121376     -4.876274      3.300107
  Mo     -4.246830     -4.292105      3.627480
  N      -3.348616     -5.529094      4.884768
  C      -2.879593     -6.837291      4.409947
  C      -3.673381     -7.235144      3.172027
  H      -3.005623     -7.607430      5.187059
  H      -1.798183     -6.785278      4.189991
  H      -4.661599     -7.597820      3.482595
  H      -3.178483     -8.037338      2.597699
  H      -7.236538     -5.832843      1.768285
  H      -6.521525     -6.947499      2.938215
  H      -5.102248     -5.338055      0.754181
  H      -5.146577     -7.115255      0.937431
  H      -1.695740     -3.975898      0.755757
  H      -3.333665     -4.182166      0.116306
  H      -1.816251     -5.860294      2.179947
  H      -2.570524     -6.421770      0.664447
  C      -3.312176     -2.050591      1.858320
  C      -2.176399     -1.320459      1.438940
  C      -2.205135      0.069016      1.349360
  C      -3.373157      0.745672      1.679643
  F      -3.372909      2.101780      1.644249
  C      -4.538272      0.062298      2.050096
  C      -5.791205      0.730378      2.428292
  O      -6.805551      0.144891      2.793899
  C      -5.958686      2.255771      2.366633
  O      -6.379772      2.832464      1.394276
  C      -5.685155      2.942468      3.728579
  O      -5.077991      2.401257      4.605367
  Cl     -6.280882      4.608837      3.817357
  C      -4.493539     -1.340090      2.096644
  C      -7.114528     -4.645575      4.281529
  C      -7.728708     -5.691589      5.001242
  C      -8.525509     -5.428397      6.116332
  C      -8.692978     -4.115903      6.529513
  F      -9.438476     -3.846934      7.627917
  C      -8.150038     -3.049481      5.804407
  C      -8.178823     -1.652523      6.294026
  O      -8.516720     -0.671991      5.648098
  C      -7.569328     -1.410030      7.689654
  O      -7.008579     -2.236136      8.375037
  C      -7.686478      0.049405      8.161703
  O      -8.569046      0.471350      8.842885
  Cl     -6.252970      1.009120      7.679694
  C      -7.411168     -3.324401      4.649162
  C      -3.628640     -5.365971      6.261057
  C      -3.020500     -4.319353      6.989136
  C      -3.383049     -4.043007      8.303159
  C      -4.337728     -4.844434      8.914847
  F      -4.712276     -4.556129     10.184157
  C      -4.939363     -5.922589      8.247717
  C      -5.979740     -6.753967      8.864113
  O      -6.661922     -7.581946      8.266828
  C      -6.223714     -6.726968     10.380036
  O      -5.533268     -7.356974     11.144088
  C      -7.510037     -5.974174     10.798228
  O      -8.137288     -5.289861     10.046588
  Cl     -7.922217     -6.198463     12.511175
  C      -4.570350     -6.168892      6.915428
  H      -1.243624     -1.843256      1.223036
  H      -1.321181      0.635265      1.055360
  H      -5.413115     -1.870974      2.346895
  H      -7.548043     -6.731111      4.727745
  H      -8.981082     -6.237453      6.687310
  H      -6.986854     -2.492650      4.086307
  H      -2.281817     -3.693867      6.484588
  H      -2.940618     -3.213175      8.853977
  H      -5.078837     -6.979339      6.390019
  N      -4.496203     -2.725282      4.830422
  N      -4.604336     -1.833469      5.530225
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.462480018379
  N      -3.277639     -3.435657      2.098755
  C      -2.731742     -4.275232      1.030767
  C      -2.687847     -5.720001      1.505847
  N      -3.897039     -6.037065      2.309371
  C      -5.134395     -6.152589      1.491093
  C      -6.346815     -6.001812      2.398545
  N      -6.122580     -4.871639      3.309730
  Mo     -4.247460     -4.291470      3.632792
  N      -3.348147     -5.532646      4.885391
  C      -2.879268     -6.838621      4.404560
  C      -3.677739     -7.234288      3.169017
  H      -3.001130     -7.611662      5.179499
  H      -1.798873     -6.784563      4.180310
  H      -4.664901     -7.597273      3.482667
  H      -3.184860     -8.035836      2.592075
  H      -7.245395     -5.826509      1.782620
  H      -6.527378     -6.942269      2.949852
  H      -5.115602     -5.333000      0.760473
  H      -5.160769     -7.110162      0.942082
  H      -1.709655     -3.971963      0.746074
  H      -3.353329     -4.174725      0.120913
  H      -1.823377     -5.860515      2.169387
  H      -2.586441     -6.417890      0.656592
  C      -3.310246     -2.049168      1.871617
  C      -2.165294     -1.318492      1.479586
  C      -2.190992      0.070998      1.393430
  C      -3.366226      0.745897      1.700716
  F      -3.366319      2.102167      1.667358
  C      -4.537965      0.062083      2.047487
  C      -5.796957      0.731596      2.400234
  O      -6.816421      0.147982      2.753752
  C      -5.962571      2.256641      2.323482
  O      -6.356720      2.825199      1.335157
  C      -5.705092      2.958589      3.680736
  O      -5.108274      2.428534      4.571481
  Cl     -6.304435      4.624725      3.743687
  C      -4.495281     -1.340547      2.091723
  C      -7.111309     -4.637060      4.294945
  C      -7.717791     -5.680666      5.024551
  C      -8.510572     -5.412268      6.141089
  C      -8.681185     -4.097318      6.546051
  F      -9.427636     -3.825043      7.642786
  C      -8.142919     -3.033646      5.812882
  C      -8.175501     -1.632683      6.290602
  O      -8.512216     -0.658329      5.634349
  C      -7.576465     -1.374120      7.687169
  O      -7.024144     -2.191736      8.387882
  C      -7.694029      0.091990      8.139252
  O      -8.576535      0.525426      8.813145
  Cl     -6.255713      1.041746      7.649671
  C      -7.408754     -3.314863      4.656336
  C      -3.623683     -5.376045      6.262783
  C      -3.023741     -4.327638      6.994196
  C      -3.389794     -4.057762      8.308721
  C      -4.337366     -4.869065      8.918450
  F      -4.715174     -4.587039     10.188107
  C      -4.928996     -5.950738      8.248259
  C      -5.962959     -6.793240      8.859891
  O      -6.638374     -7.623591      8.257988
  C      -6.212198     -6.773679     10.374774
  O      -5.511825     -7.389625     11.141290
  C      -7.503940     -6.029264     10.790971
  O      -8.136488     -5.351856     10.037540
  Cl     -7.912190     -6.249161     12.505365
  C      -4.557987     -6.188816      6.914992
  H      -1.229498     -1.843289      1.281941
  H      -1.301024      0.638092      1.119995
  H      -5.418872     -1.871884      2.326460
  H      -7.534970     -6.721270      4.756641
  H      -8.962389     -6.218521      6.719003
  H      -6.989732     -2.486936      4.085209
  H      -2.290604     -3.694180      6.492548
  H      -2.954013     -3.225532      8.861069
  H      -5.059651     -7.002364      6.387306
  N      -4.494414     -2.724746      4.834769
  N      -4.605534     -1.830384      5.531584
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.462668128421
  N      -3.278724     -3.436573      2.105406
  C      -2.748604     -4.274025      1.028755
  C      -2.700806     -5.718899      1.499698
  N      -3.904075     -6.035107      2.312511
  C      -5.147139     -6.151101      1.502507
  C      -6.354008     -6.000293      2.417128
  N      -6.122842     -4.868711      3.325334
  Mo     -4.245332     -4.290947      3.638632
  N      -3.339326     -5.534768      4.884061
  C      -2.870235     -6.838709      4.397854
  C      -3.678085     -7.234106      3.168426
  H      -2.982931     -7.614057      5.171796
  H      -1.791979     -6.780993      4.164603
  H      -4.662989     -7.597030      3.489207
  H      -3.189283     -8.034477      2.586488
  H      -7.256170     -5.824875      1.806585
  H      -6.530540     -6.939929      2.971063
  H      -5.133336     -5.331240      0.772086
  H      -5.175740     -7.108539      0.953531
  H      -1.730730     -3.968763      0.730912
  H      -3.382096     -4.170391      0.127304
  H      -1.831337     -5.860606      2.156334
  H      -2.606998     -6.415518      0.648641
  C      -3.309553     -2.048240      1.880541
  C      -2.156192     -1.317955      1.516047
  C      -2.179591      0.071678      1.433480
  C      -3.361122      0.744825      1.718048
  F      -3.360606      2.101282      1.687401
  C      -4.539877      0.061249      2.041175
  C      -5.803525      0.733139      2.371531
  O      -6.827908      0.152392      2.714092
  C      -5.964458      2.258425      2.282170
  O      -6.329127      2.820083      1.278610
  C      -5.726069      2.973541      3.635768
  O      -5.140613      2.454377      4.540563
  Cl     -6.332487      4.637590      3.674672
  C      -4.498821     -1.341634      2.082574
  C      -7.105873     -4.629560      4.315594
  C      -7.703082     -5.669572      5.057676
  C      -8.489506     -5.394637      6.177153
  C      -8.662920     -4.076756      6.572254
  F      -9.403525     -3.800384      7.671999
  C      -8.131616     -3.016833      5.828148
  C      -8.168530     -1.611377      6.292989
  O      -8.508435     -0.643896      5.627551
  C      -7.577429     -1.334735      7.687146
  O      -7.030741     -2.142258      8.403353
  C      -7.696919      0.137221      8.120829
  O      -8.579639      0.580783      8.787685
  Cl     -6.257308      1.080039      7.619365
  C      -7.403536     -3.305564      4.669876
  C      -3.612997     -5.386339      6.263924
  C      -3.025408     -4.330486      6.996325
  C      -3.395997     -4.068481      8.311086
  C      -4.336224     -4.891507      8.917802
  F      -4.719859     -4.615957     10.187180
  C      -4.915633     -5.977940      8.244883
  C      -5.946898     -6.828675      8.849296
  O      -6.607305     -7.667623      8.242254
  C      -6.209091     -6.811565     10.361183
  O      -5.515967     -7.427681     11.134083
  C      -7.517886     -6.087867     10.760454
  O      -8.144921     -5.411626     10.001127
  Cl     -7.950102     -6.322365     12.466438
  C      -4.539469     -6.209776      6.911879
  H      -1.217758     -1.844682      1.336577
  H      -1.284617      0.640643      1.181072
  H      -5.424827     -1.875107      2.303371
  H      -7.517358     -6.711430      4.796872
  H      -8.934764     -6.197338      6.765065
  H      -6.990256     -2.482439      4.088826
  H      -2.299485     -3.688265      6.494352
  H      -2.971219     -3.232311      8.866289
  H      -5.031434     -7.025658      6.380887
  N      -4.488651     -2.721807      4.838358
  N      -4.604918     -1.825565      5.532681
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.462837137376
  N      -3.279741     -3.437002      2.111397
  C      -2.765066     -4.272949      1.025878
  C      -2.713450     -5.718080      1.494181
  N      -3.910833     -6.033712      2.316601
  C      -5.159020     -6.152087      1.514599
  C      -6.359968     -6.000143      2.436631
  N      -6.123078     -4.865608      3.339578
  Mo     -4.243595     -4.289098      3.643449
  N      -3.331002     -5.533409      4.884129
  C      -2.860771     -6.835456      4.393071
  C      -3.677553     -7.233114      3.170310
  H      -2.962967     -7.612005      5.167165
  H      -1.784900     -6.772974      4.150443
  H      -4.659703     -7.596351      3.499059
  H      -3.192575     -8.032723      2.584194
  H      -7.265962     -5.826395      1.831316
  H      -6.531944     -6.938009      2.994860
  H      -5.150806     -5.333272      0.782914
  H      -5.189672     -7.110448      0.967430
  H      -1.751518     -3.966094      0.714894
  H      -3.410029     -4.166960      0.132756
  H      -1.838978     -5.860272      2.144026
  H      -2.626749     -6.414147      0.642004
  C      -3.308694     -2.047281      1.887526
  C      -2.147208     -1.320179      1.545392
  C      -2.165899      0.069561      1.465367
  C      -3.350953      0.743804      1.731832
  F      -3.346005      2.100312      1.704823
  C      -4.536656      0.062873      2.035757
  C      -5.802044      0.738674      2.351332
  O      -6.831452      0.161649      2.684862
  C      -5.957075      2.263455      2.247789
  O      -6.308151      2.816038      1.234212
  C      -5.747691      2.989563      3.599840
  O      -5.177346      2.480974      4.520281
  Cl     -6.361122      4.651583      3.612616
  C      -4.499712     -1.340430      2.074946
  C      -7.100878     -4.621134      4.333770
  C      -7.688410     -5.656553      5.090018
  C      -8.469864     -5.374182      6.211173
  C      -8.647194     -4.053363      6.594259
  F      -9.382961     -3.770333      7.695547
  C      -8.123757     -2.998456      5.837793
  C      -8.165373     -1.589032      6.288662
  O      -8.505599     -0.629360      5.611445
  C      -7.583823     -1.296257      7.682152
  O      -7.044137     -2.094540      8.414329
  C      -7.706654      0.180879      8.097967
  O      -8.591037      0.633077      8.756541
  Cl     -6.264234      1.117105      7.590009
  C      -7.400701     -3.295075      4.678298
  C      -3.606744     -5.395046      6.265048
  C      -3.036040     -4.333591      7.001796
  C      -3.413848     -4.082427      8.316502
  C      -4.344896     -4.920184      8.917106
  F      -4.734887     -4.655780     10.186926
  C      -4.907838     -6.011577      8.238753
  C      -5.930814     -6.876929      8.835636
  O      -6.575662     -7.724363      8.223318
  C      -6.204668     -6.865013     10.345228
  O      -5.504730     -7.463447     11.125822
  C      -7.517822     -6.143567     10.734884
  O      -8.139166     -5.467680      9.970291
  Cl     -7.950927     -6.360464     12.442465
  C      -4.524569     -6.232947      6.905747
  H      -1.208142     -1.850682      1.380828
  H      -1.265930      0.638072      1.230309
  H      -5.428324     -1.873808      2.284962
  H      -7.498739     -6.699858      4.838124
  H      -8.907901     -6.172616      6.810132
  H      -6.993699     -2.475989      4.085999
  H      -2.318074     -3.680560      6.503791
  H      -3.002556     -3.243068      8.876901
  H      -5.004058     -7.052426      6.369159
  N      -4.484797     -2.716881      4.838346
  N      -4.606020     -1.820516      5.531922
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463014296204
  N      -3.280492     -3.436877      2.116264
  C      -2.781401     -4.271129      1.020996
  C      -2.726169     -5.717112      1.487320
  N      -3.916799     -6.032930      2.320526
  C      -5.170765     -6.154412      1.528081
  C      -6.364345     -6.000714      2.459368
  N      -6.122087     -4.862352      3.355282
  Mo     -4.240980     -4.286212      3.648341
  N      -3.322212     -5.529867      4.886044
  C      -2.850307     -6.829550      4.389742
  C      -3.675403     -7.230968      3.173785
  H      -2.941282     -7.606591      5.164661
  H      -1.777013     -6.761392      4.137610
  H      -4.654174     -7.595596      3.510930
  H      -3.193636     -8.030280      2.584616
  H      -7.275323     -5.830606      1.860429
  H      -6.530760     -6.936330      3.023017
  H      -5.169347     -5.337540      0.794137
  H      -5.204806     -7.114261      0.983724
  H      -1.772088     -3.963734      0.697096
  H      -3.437873     -4.162816      0.136629
  H      -1.845992     -5.859752      2.129376
  H      -2.647094     -6.412883      0.634200
  C      -3.308133     -2.045992      1.894821
  C      -2.140036     -1.320954      1.571769
  C      -2.155275      0.068877      1.492596
  C      -3.343775      0.744112      1.742439
  F      -3.335800      2.100543      1.717046
  C      -4.534598      0.064864      2.029908
  C      -5.802752      0.742073      2.331800
  O      -6.834825      0.166246      2.659517
  C      -5.957273      2.265591      2.215488
  O      -6.293568      2.810109      1.192384
  C      -5.762760      3.003383      3.562925
  O      -5.201958      2.503782      4.493878
  Cl     -6.375361      4.666297      3.553170
  C      -4.500268     -1.338850      2.068725
  C      -7.095017     -4.611327      4.352478
  C      -7.676046     -5.641412      5.121121
  C      -8.455455     -5.350710      6.241603
  C      -8.636029     -4.026985      6.612560
  F      -9.373540     -3.735431      7.710312
  C      -8.116527     -2.977900      5.845657
  C      -8.162762     -1.564357      6.281717
  O      -8.504290     -0.613905      5.591907
  C      -7.586960     -1.254805      7.673926
  O      -7.051454     -2.043573      8.419910
  C      -7.713937      0.227160      8.071260
  O      -8.600505      0.687264      8.721022
  Cl     -6.268407      1.157085      7.558605
  C      -7.396355     -3.283354      4.686751
  C      -3.601798     -5.400222      6.266357
  C      -3.046686     -4.335663      7.008624
  C      -3.430138     -4.094842      8.323570
  C      -4.351211     -4.946366      8.918985
  F      -4.746355     -4.691820     10.189210
  C      -4.898284     -6.042583      8.235533
  C      -5.910362     -6.923883      8.827100
  O      -6.547351     -7.773780      8.209642
  C      -6.193097     -6.916675     10.335393
  O      -5.498116     -7.517001     11.118813
  C      -7.515349     -6.207130     10.716405
  O      -8.133431     -5.531378      9.948827
  Cl     -7.968632     -6.442341     12.415922
  C      -4.510011     -6.253158      6.902150
  H      -1.200082     -1.854101      1.421255
  H      -1.251184      0.636677      1.272169
  H      -5.431470     -1.871609      2.268305
  H      -7.484047     -6.686400      4.878018
  H      -8.889756     -6.144338      6.849506
  H      -6.994037     -2.468435      4.084645
  H      -2.336154     -3.672142      6.515950
  H      -3.030414     -3.253069      8.888458
  H      -4.977866     -7.077506      6.361261
  N      -4.480378     -2.710837      4.837069
  N      -4.605136     -1.813607      5.528776
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463197012306
  N      -3.281060     -3.436689      2.121259
  C      -2.802888     -4.268715      1.013448
  C      -2.741268     -5.715564      1.475843
  N      -3.921392     -6.033343      2.324262
  C      -5.184132     -6.159912      1.545991
  C      -6.367115     -6.006128      2.490782
  N      -6.118818     -4.862489      3.377701
  Mo     -4.234761     -4.284491      3.654306
  N      -3.305472     -5.527675      4.886721
  C      -2.830303     -6.823223      4.382712
  C      -3.666584     -7.229548      3.176134
  H      -2.904713     -7.601139      5.158340
  H      -1.760904     -6.745765      4.117348
  H      -4.640043     -7.597798      3.524536
  H      -3.188523     -8.027425      2.582016
  H      -7.285981     -5.842931      1.901829
  H      -6.523313     -6.939460      3.061190
  H      -5.193235     -5.345179      0.809693
  H      -5.221987     -7.121486      1.005096
  H      -1.799471     -3.960335      0.673135
  H      -3.475184     -4.156880      0.141692
  H      -1.852839     -5.858980      2.106169
  H      -2.673082     -6.410209      0.620914
  C      -3.306708     -2.044054      1.903112
  C      -2.133135     -1.320969      1.596439
  C      -2.145995      0.069024      1.516818
  C      -3.337157      0.745931      1.750921
  F      -3.326503      2.102083      1.724458
  C      -4.532363      0.068741      2.024877
  C      -5.803308      0.747242      2.315097
  O      -6.836839      0.172405      2.640241
  C      -5.958861      2.269342      2.185935
  O      -6.288315      2.805235      1.155919
  C      -5.776561      3.018207      3.528300
  O      -5.223038      2.526578      4.467278
  Cl     -6.388453      4.681931      3.499105
  C      -4.499728     -1.335402      2.064624
  C      -7.086088     -4.604658      4.378413
  C      -7.662670     -5.629043      5.157709
  C      -8.439840     -5.329914      6.277639
  C      -8.622865     -4.003223      6.637038
  F      -9.361362     -3.702760      7.731827
  C      -8.106412     -2.959854      5.859923
  C      -8.158712     -1.541298      6.280355
  O      -8.507436     -0.601945      5.579076
  C      -7.583550     -1.211566      7.668235
  O      -7.045661     -1.988645      8.425454
  C      -7.717942      0.274362      8.047295
  O      -8.608057      0.740309      8.687618
  Cl     -6.273980      1.202174      7.525109
  C      -7.388112     -3.274579      4.702728
  C      -3.595746     -5.408165      6.265457
  C      -3.059948     -4.336965      7.013954
  C      -3.447824     -4.109234      8.329894
  C      -4.358570     -4.976146      8.918906
  F      -4.761929     -4.731825     10.188812
  C      -4.887919     -6.077360      8.229177
  C      -5.892961     -6.971540      8.813190
  O      -6.515329     -7.828905      8.191268
  C      -6.194716     -6.961472     10.318356
  O      -5.510132     -7.558839     11.112842
  C      -7.525934     -6.257181     10.678569
  O      -8.136414     -5.588913      9.898109
  Cl     -8.011447     -6.499442     12.367343
  C      -4.491737     -6.278824      6.897144
  H      -1.191852     -1.855418      1.459159
  H      -1.238640      0.636179      1.308557
  H      -5.433210     -1.867690      2.254312
  H      -7.469266     -6.675782      4.922959
  H      -8.870823     -6.118894      6.893929
  H      -6.989361     -2.464593      4.092571
  H      -2.357020     -3.661235      6.525338
  H      -3.061860     -3.264848      8.900731
  H      -4.945138     -7.108611      6.352469
  N      -4.472629     -2.705346      4.837103
  N      -4.602234     -1.807525      5.526613
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463372716802
  N      -3.282201     -3.435180      2.124028
  C      -2.821307     -4.267110      1.007614
  C      -2.753597     -5.714326      1.469369
  N      -3.924162     -6.033872      2.330900
  C      -5.193804     -6.167602      1.565445
  C      -6.367340     -6.012259      2.521593
  N      -6.114900     -4.861392      3.397594
  Mo     -4.229273     -4.280697      3.659840
  N      -3.291106     -5.519822      4.891153
  C      -2.812316     -6.812234      4.381778
  C      -3.656817     -7.226414      3.183633
  H      -2.871740     -7.589260      5.159484
  H      -1.746617     -6.725917      4.104946
  H      -4.625100     -7.598947      3.541838
  H      -3.180431     -8.023671      2.587246
  H      -7.293387     -5.857997      1.941447
  H      -6.513428     -6.942243      3.100284
  H      -5.212588     -5.356635      0.825104
  H      -5.234384     -7.131999      1.029814
  H      -1.822790     -3.958866      0.653198
  H      -3.506779     -4.154002      0.146550
  H      -1.857881     -5.856550      2.089530
  H      -2.694261     -6.409275      0.613987
  C      -3.306175     -2.042041      1.905614
  C      -2.128932     -1.322836      1.602588
  C      -2.138065      0.066916      1.519001
  C      -3.328909      0.747700      1.745981
  F      -3.315124      2.103487      1.714780
  C      -4.526120      0.074205      2.017950
  C      -5.796485      0.755279      2.304233
  O      -6.830414      0.182672      2.632589
  C      -5.953311      2.275738      2.164560
  O      -6.275896      2.804817      1.128794
  C      -5.783068      3.032516      3.504131
  O      -5.238738      2.545397      4.450767
  Cl     -6.390372      4.698154      3.458730
  C      -4.497176     -1.330072      2.061436
  C      -7.078108     -4.596037      4.399989
  C      -7.649910     -5.614073      5.191335
  C      -8.423694     -5.306731      6.311086
  C      -8.609920     -3.977446      6.657922
  F      -9.343760     -3.667113      7.753245
  C      -8.100678     -2.940373      5.867922
  C      -8.157930     -1.517737      6.272181
  O      -8.508291     -0.588561      5.558670
  C      -7.584433     -1.171436      7.658184
  O      -7.045797     -1.939254      8.424745
  C      -7.725627      0.317637      8.019599
  O      -8.620977      0.787081      8.649904
  Cl     -6.283583      1.245251      7.492193
  C      -7.383492     -3.263880      4.711712
  C      -3.596369     -5.408871      6.265754
  C      -3.081750     -4.334616      7.022086
  C      -3.476605     -4.119562      8.338151
  C      -4.377891     -5.001421      8.918035
  F      -4.790454     -4.768720     10.187363
  C      -4.889240     -6.105876      8.219693
  C      -5.886747     -7.014323      8.794480
  O      -6.491410     -7.880337      8.167307
  C      -6.191939     -7.017222     10.299954
  O      -5.509126     -7.621059     11.090948
  C      -7.529077     -6.324680     10.662432
  O      -8.141781     -5.654371      9.885146
  Cl     -8.021199     -6.587420     12.345665
  C      -4.482941     -6.295932      6.889209
  H      -1.188249     -1.859945      1.471570
  H      -1.228484      0.631254      1.312839
  H      -5.432956     -1.858986      2.249145
  H      -7.453872     -6.662599      4.966886
  H      -8.848809     -6.091126      6.937133
  H      -6.988497     -2.457406      4.093614
  H      -2.385520     -3.647369      6.542267
  H      -3.104281     -3.273672      8.915424
  H      -4.921089     -7.130823      6.338981
  N      -4.466548     -2.697216      4.835476
  N      -4.599334     -1.798977      5.523645
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463554394947
  N      -3.283321     -3.432917      2.127725
  C      -2.839872     -4.265495      1.004574
  C      -2.765143     -5.712230      1.464479
  N      -3.925571     -6.033573      2.338861
  C      -5.202576     -6.174502      1.586716
  C      -6.367033     -6.019168      2.553610
  N      -6.110722     -4.861071      3.419688
  Mo     -4.223010     -4.277269      3.667176
  N      -3.275274     -5.514031      4.895767
  C      -2.792107     -6.802619      4.380820
  C      -3.644693     -7.223590      3.190808
  H      -2.836377     -7.579702      5.159363
  H      -1.730349     -6.706540      4.092852
  H      -4.607726     -7.601348      3.557711
  H      -3.169191     -8.019176      2.591455
  H      -7.300260     -5.874169      1.982694
  H      -6.501605     -6.946258      3.139833
  H      -5.231249     -5.366645      0.843195
  H      -5.244770     -7.141216      1.055508
  H      -1.846468     -3.956966      0.636323
  H      -3.538629     -4.150994      0.154474
  H      -1.862173     -5.853305      2.074122
  H      -2.714837     -6.406840      0.608202
  C      -3.304571     -2.039157      1.907351
  C      -2.125207     -1.323340      1.604575
  C      -2.131633      0.066082      1.516105
  C      -3.321396      0.750654      1.737228
  F      -3.305138      2.106090      1.700371
  C      -4.520256      0.080957      2.010038
  C      -5.789573      0.766122      2.292120
  O      -6.824507      0.197402      2.623786
  C      -5.946504      2.285564      2.141133
  O      -6.261345      2.807416      1.099383
  C      -5.785942      3.051093      3.477143
  O      -5.250187      2.568390      4.430847
  Cl     -6.390571      4.717129      3.416944
  C      -4.494037     -1.323340      2.058978
  C      -7.071185     -4.588309      4.422844
  C      -7.640525     -5.600431      5.223263
  C      -8.412379     -5.285483      6.342079
  C      -8.600667     -3.953600      6.678234
  F      -9.331166     -3.635141      7.773779
  C      -8.096641     -2.922104      5.877372
  C      -8.159366     -1.495007      6.266309
  O      -8.512806     -0.575259      5.542640
  C      -7.586218     -1.130486      7.648831
  O      -7.043658     -1.888124      8.422868
  C      -7.734960      0.361558      7.992843
  O      -8.636861      0.833369      8.612276
  Cl     -6.295917      1.290475      7.461701
  C      -7.379309     -3.253879      4.722962
  C      -3.599387     -5.412316      6.266823
  C      -3.105104     -4.333184      7.031582
  C      -3.505532     -4.133539      8.348505
  C      -4.396494     -5.032744      8.918947
  F      -4.815754     -4.816301     10.189296
  C      -4.890242     -6.139189      8.210837
  C      -5.877501     -7.064624      8.776782
  O      -6.473361     -7.929917      8.140667
  C      -6.190258     -7.078347     10.281199
  O      -5.508713     -7.684007     11.071696
  C      -7.530081     -6.390441     10.643372
  O      -8.142408     -5.718752      9.866862
  Cl     -8.021794     -6.653793     12.325892
  C      -4.476675     -6.315186      6.881008
  H      -1.184899     -1.862151      1.477903
  H      -1.220630      0.628092      1.309728
  H      -5.431374     -1.849297      2.247761
  H      -7.442951     -6.650594      5.007808
  H      -8.834218     -6.065860      6.975234
  H      -6.986057     -2.451250      4.099314
  H      -2.414487     -3.634057      6.558786
  H      -3.146770     -3.287098      8.933733
  H      -4.898341     -7.153730      6.325075
  N      -4.459876     -2.689184      4.837555
  N      -4.596971     -1.789833      5.523093
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463728879010
  N      -3.286373     -3.429829      2.130937
  C      -2.859130     -4.262704      1.002398
  C      -2.776583     -5.708815      1.460905
  N      -3.926133     -6.032065      2.348270
  C      -5.210541     -6.179826      1.610803
  C      -6.365173     -6.024922      2.588902
  N      -6.104561     -4.860225      3.445478
  Mo     -4.216075     -4.273327      3.676941
  N      -3.258079     -5.507833      4.901675
  C      -2.771282     -6.792525      4.380949
  C      -3.631634     -7.219792      3.198845
  H      -2.801625     -7.570303      5.159429
  H      -1.713499     -6.687173      4.082383
  H      -4.589330     -7.603307      3.573749
  H      -3.156109     -8.013531      2.597001
  H      -7.305468     -5.888392      2.027814
  H      -6.488010     -6.949259      3.182165
  H      -5.249831     -5.374904      0.864412
  H      -5.254760     -7.148546      1.083350
  H      -1.871204     -3.953230      0.620097
  H      -3.570520     -4.148144      0.162670
  H      -1.866232     -5.847832      2.059919
  H      -2.734880     -6.403047      0.603824
  C      -3.305592     -2.036208      1.908480
  C      -2.124913     -1.323212      1.604159
  C      -2.128040      0.065566      1.510602
  C      -3.316630      0.753023      1.726852
  F      -3.298774      2.108298      1.684814
  C      -4.516630      0.086398      2.001369
  C      -5.784165      0.776616      2.276465
  O      -6.820867      0.213788      2.612308
  C      -5.938097      2.295064      2.111355
  O      -6.246373      2.807738      1.063253
  C      -5.786915      3.071528      3.442529
  O      -5.258938      2.596072      4.404501
  Cl     -6.390803      4.736273      3.364712
  C      -4.493339     -1.317612      2.057531
  C      -7.062263     -4.580075      4.449510
  C      -7.627909     -5.587015      5.258877
  C      -8.398067     -5.265249      6.376720
  C      -8.589120     -3.931125      6.702810
  F      -9.317887     -3.607126      7.798124
  C      -8.090444     -2.904851      5.891986
  C      -8.158934     -1.473740      6.265386
  O      -8.516589     -0.562904      5.532868
  C      -7.584933     -1.089745      7.642776
  O      -7.036686     -1.835796      8.422860
  C      -7.741907      0.405541      7.968082
  O      -8.650662      0.878905      8.576727
  Cl     -6.306736      1.336955      7.433885
  C      -7.373667     -3.244251      4.739056
  C      -3.598872     -5.416502      6.269179
  C      -3.123910     -4.335587      7.043513
  C      -3.531133     -4.151639      8.360584
  C      -4.414627     -5.065900      8.919315
  F      -4.842295     -4.865863     10.189683
  C      -4.892505     -6.171609      8.199783
  C      -5.875369     -7.109874      8.751954
  O      -6.456715     -7.977029      8.105187
  C      -6.195674     -7.138334     10.254387
  O      -5.512372     -7.743970     11.043479
  C      -7.539532     -6.458604     10.617236
  O      -8.156685     -5.789739      9.841938
  Cl     -8.027093     -6.724593     12.300246
  C      -4.469213     -6.333181      6.871111
  H      -1.185690     -1.864608      1.480146
  H      -1.215630      0.624957      1.303137
  H      -5.432051     -1.839936      2.250347
  H      -7.428796     -6.638523      5.051635
  H      -8.817189     -6.041937      7.016075
  H      -6.982837     -2.445232      4.110211
  H      -2.438549     -3.625240      6.580789
  H      -3.184885     -3.305395      8.953387
  H      -4.877229     -7.173000      6.307400
  N      -4.451382     -2.681276      4.842822
  N      -4.592216     -1.778990      5.524359
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.463885041097
  N      -3.289289     -3.425643      2.134584
  C      -2.871695     -4.259035      1.003654
  C      -2.784083     -5.704697      1.460987
  N      -3.925911     -6.029111      2.356992
  C      -5.215579     -6.180672      1.630122
  C      -6.363338     -6.025654      2.615734
  N      -6.098906     -4.857195      3.466415
  Mo     -4.210619     -4.269708      3.687423
  N      -3.246375     -5.504434      4.908807
  C      -2.757329     -6.785849      4.383259
  C      -3.622286     -7.216023      3.205634
  H      -2.779299     -7.565296      5.160331
  H      -1.702140     -6.673900      4.078372
  H      -4.576484     -7.604292      3.584571
  H      -3.145671     -8.007791      2.601990
  H      -7.308054     -5.893328      2.061319
  H      -6.479198     -6.948232      3.213221
  H      -5.262089     -5.377787      0.881777
  H      -5.261818     -7.150553      1.104867
  H      -1.887349     -3.949138      0.612340
  H      -3.590458     -4.145035      0.169888
  H      -1.868895     -5.842656      2.052903
  H      -2.748095     -6.398205      0.603050
  C      -3.305794     -2.032644      1.910254
  C      -2.125459     -1.322977      1.597435
  C      -2.125272      0.065276      1.498066
  C      -3.311579      0.756042      1.714876
  F      -3.291842      2.111200      1.666456
  C      -4.512163      0.092585      1.996131
  C      -5.777944      0.788062      2.264449
  O      -6.816409      0.231483      2.605142
  C      -5.930503      2.304821      2.080402
  O      -6.230717      2.805156      1.024128
  C      -5.789384      3.096138      3.404232
  O      -5.270752      2.630285      4.376179
  Cl     -6.390454      4.759541      3.303066
  C      -4.491356     -1.310844      2.061281
  C      -7.054877     -4.570898      4.470572
  C      -7.615228     -5.573672      5.288615
  C      -8.383064     -5.246306      6.406357
  C      -8.576461     -3.910384      6.724010
  F      -9.300332     -3.582674      7.821644
  C      -8.084898     -2.888552      5.903478
  C      -8.158507     -1.454643      6.262552
  O      -8.511468     -0.551147      5.518652
  C      -7.591012     -1.052624      7.638178
  O      -7.041175     -1.787430      8.427347
  C      -7.754019      0.446866      7.942556
  O      -8.669932      0.922506      8.539239
  Cl     -6.321752      1.378851      7.406166
  C      -7.370822     -3.234173      4.750094
  C      -3.601768     -5.422876      6.273139
  C      -3.140397     -4.342803      7.056976
  C      -3.553403     -4.172562      8.373912
  C      -4.431664     -5.098534      8.922138
  F      -4.865608     -4.913291     10.192636
  C      -4.898790     -6.201220      8.191772
  C      -5.877605     -7.150671      8.731888
  O      -6.455748     -8.010947      8.073054
  C      -6.195637     -7.199025     10.233739
  O      -5.505960     -7.809938     11.013356
  C      -7.541055     -6.529920     10.609588
  O      -8.169617     -5.861181      9.843433
  Cl     -8.011407     -6.806718     12.295943
  C      -4.468741     -6.349205      6.863297
  H      -1.188291     -1.867479      1.470894
  H      -1.212129      0.621244      1.284675
  H      -5.430827     -1.828988      2.261824
  H      -7.413697     -6.626138      5.088641
  H      -8.798139     -6.019849      7.051926
  H      -6.983321     -2.437588      4.115463
  H      -2.457888     -3.623843      6.604266
  H      -3.215716     -3.327513      8.973180
  H      -4.868103     -7.188142      6.292259
  N      -4.444969     -2.676042      4.852073
  N      -4.586745     -1.770663      5.529548
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464022481077
  N      -3.293074     -3.422100      2.138973
  C      -2.885424     -4.255549      1.004168
  C      -2.792603     -5.701056      1.460980
  N      -3.926690     -6.026095      2.366487
  C      -5.221571     -6.180931      1.649920
  C      -6.361900     -6.024905      2.643761
  N      -6.093054     -4.853442      3.488643
  Mo     -4.205186     -4.265398      3.697929
  N      -3.234434     -5.499663      4.915844
  C      -2.743248     -6.778255      4.385475
  C      -3.614233     -7.211952      3.213454
  H      -2.755812     -7.558773      5.161609
  H      -1.690976     -6.660288      4.073129
  H      -4.564682     -7.603626      3.598252
  H      -3.138233     -8.002157      2.607238
  H      -7.310763     -5.895289      2.095808
  H      -6.472089     -6.945584      3.245257
  H      -5.275368     -5.380074      0.899820
  H      -5.270627     -7.151979      1.127027
  H      -1.905444     -3.944433      0.602990
  H      -3.611530     -4.142628      0.176497
  H      -1.872615     -5.837842      2.045782
  H      -2.762427     -6.394583      0.602850
  C      -3.308645     -2.029403      1.912882
  C      -2.127255     -1.323176      1.597050
  C      -2.123801      0.064683      1.492198
  C      -3.309073      0.757915      1.705918
  F      -3.286947      2.112869      1.651455
  C      -4.511028      0.097496      1.990145
  C      -5.775778      0.797409      2.250446
  O      -6.815469      0.246616      2.596919
  C      -5.925047      2.312012      2.047772
  O      -6.219627      2.799937      0.984065
  C      -5.790694      3.118767      3.362528
  O      -5.278698      2.664332      4.343386
  Cl     -6.387810      4.781700      3.236904
  C      -4.492863     -1.305528      2.063012
  C      -7.047020     -4.560324      4.492711
  C      -7.602724     -5.558523      5.319562
  C      -8.370092     -5.224438      6.435670
  C      -8.566511     -3.886566      6.743482
  F      -9.290484     -3.553879      7.839608
  C      -8.078682     -2.869919      5.914585
  C      -8.157506     -1.433194      6.259269
  O      -8.509983     -0.538453      5.504168
  C      -7.594743     -1.012720      7.630664
  O      -7.042267     -1.734926      8.429242
  C      -7.765058      0.490490      7.915295
  O      -8.687230      0.969097      8.500005
  Cl     -6.332662      1.421689      7.379923
  C      -7.366074     -3.222924      4.762759
  C      -3.600222     -5.429113      6.278212
  C      -3.151971     -4.351056      7.071760
  C      -3.570755     -4.195251      8.388512
  C      -4.443758     -5.132114      8.926060
  F      -4.883396     -4.960957     10.196581
  C      -4.900249     -6.231746      8.185017
  C      -5.874631     -7.192558      8.712665
  O      -6.446910     -8.048439      8.042728
  C      -6.193579     -7.259243     10.213310
  O      -5.500088     -7.874815     10.985953
  C      -7.544271     -6.605104     10.596107
  O      -8.180615     -5.936304      9.836499
  Cl     -8.009573     -6.900717     12.280862
  C      -4.463454     -6.365982      6.856896
  H      -1.191925     -1.871122      1.471526
  H      -1.209432      0.617705      1.276613
  H      -5.433132     -1.820636      2.267269
  H      -7.398285     -6.611869      5.127426
  H      -8.782532     -5.993812      7.087760
  H      -6.981772     -2.430028      4.121740
  H      -2.473089     -3.623359      6.628918
  H      -3.241619     -3.351967      8.994885
  H      -4.855044     -7.203711      6.278029
  N      -4.438152     -2.669670      4.858859
  N      -4.581149     -1.760856      5.531714
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464148024051
  N      -3.296573     -3.419007      2.143700
  C      -2.894738     -4.251970      1.006077
  C      -2.798659     -5.697652      1.461568
  N      -3.927150     -6.023373      2.373878
  C      -5.226134     -6.179030      1.664693
  C      -6.361124     -6.021755      2.664510
  N      -6.087602     -4.849625      3.506813
  Mo     -4.200087     -4.263168      3.708025
  N      -3.225076     -5.499225      4.921970
  C      -2.733118     -6.775367      4.386531
  C      -3.608892     -7.209643      3.218131
  H      -2.739121     -7.557510      5.161017
  H      -1.683045     -6.653166      4.068729
  H      -4.556869     -7.603550      3.606791
  H      -3.134055     -7.998090      2.608709
  H      -7.312381     -5.891452      2.120811
  H      -6.469463     -6.941675      3.267511
  H      -5.284586     -5.379209      0.913808
  H      -5.278034     -7.150559      1.143026
  H      -1.917644     -3.939701      0.599004
  H      -3.625062     -4.139510      0.182002
  H      -1.875393     -5.834649      2.041191
  H      -2.773135     -6.390710      0.602947
  C      -3.310617     -2.026406      1.916940
  C      -2.129051     -1.323161      1.595647
  C      -2.123181      0.064435      1.485562
  C      -3.306968      0.760094      1.698803
  F      -3.282594      2.114826      1.638712
  C      -4.509530      0.102597      1.988450
  C      -5.773438      0.806286      2.243028
  O      -6.813943      0.260101      2.594251
  C      -5.921504      2.318112      2.020064
  O      -6.210536      2.792153      0.948464
  C      -5.792829      3.142074      3.324297
  O      -5.287894      2.699746      4.314252
  Cl     -6.383823      4.805175      3.172148
  C      -4.493341     -1.300031      2.068523
  C      -7.040315     -4.550619      4.510255
  C      -7.591126     -5.544536      5.345671
  C      -8.356777     -5.204327      6.461094
  C      -8.555624     -3.864830      6.760063
  F      -9.277504     -3.527511      7.856219
  C      -8.072574     -2.852798      5.922716
  C      -8.155819     -1.414023      6.254516
  O      -8.502559     -0.527119      5.486988
  C      -7.603903     -0.976693      7.624108
  O      -7.051736     -1.686351      8.434323
  C      -7.780461      0.529965      7.889059
  O      -8.709283      1.011825      8.460480
  Cl     -6.346956      1.459487      7.355367
  C      -7.362565     -3.212633      4.771248
  C      -3.599818     -5.438436      6.282387
  C      -3.161433     -4.361693      7.083354
  C      -3.584259     -4.216820      8.399906
  C      -4.453131     -5.161743      8.929452
  F      -4.897091     -5.000956     10.199883
  C      -4.901835     -6.258909      8.180323
  C      -5.872948     -7.227761      8.699146
  O      -6.442412     -8.079369      8.021264
  C      -6.188932     -7.309658     10.199482
  O      -5.487335     -7.925101     10.964961
  C      -7.546267     -6.674789     10.590997
  O      -8.194946     -6.010570      9.837791
  Cl     -8.001463     -6.987277     12.275664
  C      -4.460170     -6.383329      6.852611
  H      -1.195367     -1.873743      1.469452
  H      -1.208131      0.614701      1.266036
  H      -5.433958     -1.812713      2.276912
  H      -7.383171     -6.598545      5.160938
  H      -8.765312     -5.969704      7.120269
  H      -6.981619     -2.423241      4.123351
  H      -2.485223     -3.627449      6.647376
  H      -3.261582     -3.374975      9.011776
  H      -4.846544     -7.219838      6.268341
  N      -4.432648     -2.667083      4.867964
  N      -4.575377     -1.755524      5.537095
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464259503389
  N      -3.300456     -3.416647      2.148961
  C      -2.904798     -4.248967      1.008209
  C      -2.805262     -5.694837      1.462279
  N      -3.927991     -6.021195      2.381648
  C      -5.231127     -6.177405      1.679893
  C      -6.360666     -6.018515      2.685787
  N      -6.081897     -4.845753      3.525523
  Mo     -4.194371     -4.261227      3.718064
  N      -3.215122     -5.499053      4.927913
  C      -2.722739     -6.772980      4.387067
  C      -3.604185     -7.207960      3.223011
  H      -2.721301     -7.556240      5.160356
  H      -1.675179     -6.646705      4.062955
  H      -4.549655     -7.603196      3.616506
  H      -3.131827     -7.995066      2.609953
  H      -7.314289     -5.887344      2.146374
  H      -6.467480     -6.937652      3.290283
  H      -5.293973     -5.378568      0.928336
  H      -5.286041     -7.149521      1.159723
  H      -1.930613     -3.935285      0.595460
  H      -3.639651     -4.136554      0.188168
  H      -1.878508     -5.832071      2.036256
  H      -2.784940     -6.387699      0.603381
  C      -3.313633     -2.023864      1.921096
  C      -2.131201     -1.323650      1.596495
  C      -2.123159      0.063571      1.481135
  C      -3.305903      0.761529      1.692053
  F      -3.279531      2.115963      1.625662
  C      -4.509123      0.107103      1.985709
  C      -5.772468      0.814063      2.234845
  O      -6.811992      0.272557      2.595780
  C      -5.918743      2.323295      1.994696
  O      -6.205601      2.784612      0.916882
  C      -5.792778      3.162982      3.288756
  O      -5.293654      2.732087      4.286545
  Cl     -6.376388      4.826967      3.112291
  C      -4.494972     -1.295192      2.072457
  C      -7.033543     -4.540385      4.527996
  C      -7.580492     -5.529654      5.371582
  C      -8.344684     -5.182878      6.485864
  C      -8.546041     -3.841639      6.775440
  F      -9.267209     -3.498863      7.870464
  C      -8.066930     -2.834385      5.929795
  C      -8.155056     -1.393160      6.248337
  O      -8.498832     -0.515091      5.468857
  C      -7.613479     -0.938275      7.615108
  O      -7.060989     -1.634504      8.436815
  C      -7.798076      0.571065      7.860982
  O      -8.733934      1.056160      8.417929
  Cl     -6.361915      1.499275      7.331731
  C      -7.358154     -3.201627      4.779833
  C      -3.597641     -5.447726      6.286500
  C      -3.169609     -4.371897      7.094304
  C      -3.596199     -4.237715      8.410771
  C      -4.460412     -5.190922      8.932678
  F      -4.909120     -5.039490     10.202662
  C      -4.900195     -6.286656      8.176078
  C      -5.867155     -7.264179      8.686457
  O      -6.432032     -8.113176      8.001531
  C      -6.182921     -7.360003     10.186115
  O      -5.474557     -7.973426     10.946993
  C      -7.548003     -6.744882     10.582308
  O      -8.204964     -6.082946      9.834191
  Cl     -7.999615     -7.075977     12.264255
  C      -4.454058     -6.401191      6.848965
  H      -1.198730     -1.876542      1.471567
  H      -1.207353      0.611443      1.258887
  H      -5.435978     -1.806050      2.283279
  H      -7.369467     -6.584345      5.194110
  H      -8.749844     -5.943797      7.152285
  H      -6.980153     -2.416641      4.125012
  H      -2.496646     -3.631239      6.664222
  H      -3.280703     -3.397301      9.028374
  H      -4.834057     -7.237134      6.259771
  N      -4.426087     -2.664154      4.875722
  N      -4.569308     -1.749961      5.541138
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464363017400
  N      -3.304765     -3.414779      2.154106
  C      -2.913968     -4.246375      1.010797
  C      -2.811629     -5.692508      1.463176
  N      -3.929170     -6.019549      2.388712
  C      -5.236109     -6.175346      1.693669
  C      -6.360742     -6.014573      2.704893
  N      -6.076365     -4.841648      3.542804
  Mo     -4.188452     -4.260180      3.727790
  N      -3.206007     -5.500729      4.933422
  C      -2.714025     -6.772645      4.386972
  C      -3.601025     -7.207293      3.226901
  H      -2.705814     -7.556985      5.159063
  H      -1.668856     -6.642910      4.056901
  H      -4.544470     -7.603120      3.624762
  H      -3.131748     -7.993417      2.610252
  H      -7.316346     -5.881933      2.169331
  H      -6.466900     -6.933144      3.310414
  H      -5.302300     -5.377190      0.941704
  H      -5.294145     -7.147937      1.174806
  H      -1.941871     -3.931572      0.594114
  H      -3.652437     -4.133445      0.194112
  H      -1.881664     -5.830323      2.031781
  H      -2.796412     -6.385043      0.603907
  C      -3.316920     -2.021766      1.925165
  C      -2.133590     -1.324454      1.597156
  C      -2.123371      0.062327      1.477349
  C      -3.304870      0.762752      1.686625
  F      -3.276560      2.116943      1.614999
  C      -4.508555      0.111452      1.984235
  C      -5.770704      0.821690      2.231311
  O      -6.811258      0.282995      2.592938
  C      -5.915893      2.328016      1.973526
  O      -6.199509      2.776238      0.889260
  C      -5.790546      3.183935      3.256861
  O      -5.296653      2.764809      4.262087
  Cl     -6.367088      4.848402      3.056248
  C      -4.496630     -1.290598      2.076454
  C      -7.027494     -4.530047      4.543885
  C      -7.571681     -5.514808      5.394568
  C      -8.334681     -5.161860      6.507513
  C      -8.538016     -3.818997      6.788415
  F      -9.258875     -3.470933      7.882087
  C      -8.062286     -2.816229      5.935181
  C      -8.155401     -1.372684      6.240993
  O      -8.496244     -0.503250      5.450266
  C      -7.625050     -0.900951      7.605461
  O      -7.072491     -1.584017      8.438014
  C      -7.818922      0.610218      7.833338
  O      -8.762523      1.097851      8.374629
  Cl     -6.380018      1.538413      7.310009
  C      -7.353866     -3.190475      4.787059
  C      -3.595105     -5.457379      6.290156
  C      -3.176184     -4.382094      7.103553
  C      -3.605540     -4.256821      8.420022
  C      -4.465289     -5.217391      8.935690
  F      -4.917518     -5.074060     10.205400
  C      -4.896893     -6.312337      8.173048
  C      -5.859331     -7.297616      8.677068
  O      -6.418588     -8.146328      7.987333
  C      -6.174246     -7.405348     10.176225
  O      -5.456950     -8.012146     10.934078
  C      -7.548977     -6.814077     10.575529
  O      -8.215097     -6.155966      9.831943
  Cl     -7.997336     -7.164541     12.254103
  C      -4.447309     -6.418528      6.846496
  H      -1.202134     -1.879266      1.473339
  H      -1.206852      0.607944      1.252495
  H      -5.437938     -1.799696      2.290012
  H      -7.358574     -6.570167      5.223353
  H      -8.737455     -5.918502      7.180270
  H      -6.978211     -2.409984      4.125850
  H      -2.506201     -3.636089      6.677950
  H      -3.296368     -3.417749      9.042655
  H      -4.821059     -7.254590      6.253605
  N      -4.418727     -2.662164      4.883540
  N      -4.562564     -1.745715      5.545678
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464462148915
  N      -3.308764     -3.413733      2.159028
  C      -2.921801     -4.244677      1.013763
  C      -2.817738     -5.691147      1.464249
  N      -3.931006     -6.018675      2.394711
  C      -5.241154     -6.173297      1.705250
  C      -6.361720     -6.010223      2.720681
  N      -6.071772     -4.837245      3.557039
  Mo     -4.182830     -4.260223      3.736529
  N      -3.198484     -5.504357      4.938208
  C      -2.707788     -6.774544      4.386348
  C      -3.599930     -7.207788      3.229727
  H      -2.693837     -7.560004      5.157190
  H      -1.664736     -6.642082      4.050985
  H      -4.541983     -7.603413      3.631191
  H      -3.134075     -7.993414      2.609870
  H      -7.318856     -5.875881      2.188326
  H      -6.467875     -6.928242      3.327112
  H      -5.309405     -5.375647      0.952962
  H      -5.302133     -7.146340      1.187634
  H      -1.950887     -3.929358      0.594783
  H      -3.663023     -4.130504      0.199800
  H      -1.885055     -5.830026      2.028102
  H      -2.807325     -6.383134      0.604451
  C      -3.319228     -2.020521      1.929276
  C      -2.134901     -1.325934      1.598395
  C      -2.122731      0.060328      1.474196
  C      -3.303110      0.763263      1.681400
  F      -3.273241      2.117187      1.604328
  C      -4.507165      0.114910      1.982678
  C      -5.768773      0.827753      2.226575
  O      -6.807103      0.293131      2.599906
  C      -5.912634      2.332336      1.957653
  O      -6.197138      2.770903      0.869712
  C      -5.787604      3.199764      3.233425
  O      -5.299547      2.788862      4.244777
  Cl     -6.355291      4.865511      3.014092
  C      -4.497148     -1.286808      2.080389
  C      -7.022626     -4.519432      4.556615
  C      -7.564437     -5.499188      5.414588
  C      -8.326184     -5.139837      6.526132
  C      -8.531115     -3.795355      6.798132
  F      -9.251395     -3.441452      7.890412
  C      -8.058614     -2.797432      5.937201
  C      -8.156696     -1.351783      6.230201
  O      -8.492541     -0.490677      5.428137
  C      -7.640154     -0.864203      7.593993
  O      -7.089661     -1.534914      8.437815
  C      -7.843552      0.648167      7.804369
  O      -8.795190      1.138263      8.328899
  Cl     -6.401322      1.576516      7.288222
  C      -7.350383     -3.178737      4.790823
  C      -3.592892     -5.467088      6.293109
  C      -3.183076     -4.390809      7.109888
  C      -3.614445     -4.271949      8.426267
  C      -4.468618     -5.239691      8.938077
  F      -4.923688     -5.102448     10.207394
  C      -4.891374     -6.335727      8.171832
  C      -5.847440     -7.328988      8.672244
  O      -6.401367     -8.178816      7.979691
  C      -6.161227     -7.446197     10.170946
  O      -5.433609     -8.042173     10.927601
  C      -7.546860     -6.881667     10.571302
  O      -8.222055     -6.228198      9.831538
  Cl     -7.993251     -7.252447     12.245594
  C      -4.439416     -6.435461      6.845717
  H      -1.204166     -1.882198      1.475750
  H      -1.205627      0.603929      1.246757
  H      -5.438743     -1.794287      2.296494
  H      -7.350055     -6.555315      5.249525
  H      -8.727096     -5.892102      7.204935
  H      -6.976744     -2.402785      4.123049
  H      -2.516715     -3.640173      6.686831
  H      -3.311885     -3.433058      9.052357
  H      -4.805955     -7.273208      6.250898
  N      -4.411344     -2.661153      4.890870
  N      -4.556051     -1.742940      5.550472
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464556699334
  N      -3.313219     -3.412829      2.164027
  C      -2.932162     -4.243302      1.016215
  C      -2.826019     -5.690169      1.464773
  N      -3.933914     -6.018091      2.401311
  C      -5.247883     -6.171871      1.719003
  C      -6.362975     -6.006361      2.739939
  N      -6.067149     -4.832319      3.573050
  Mo     -4.176612     -4.259854      3.745581
  N      -3.189951     -5.507613      4.943092
  C      -2.700544     -6.775715      4.385322
  C      -3.598895     -7.208128      3.233316
  H      -2.679422     -7.562370      5.154765
  H      -1.660112     -6.639806      4.043490
  H      -4.539024     -7.603714      3.639384
  H      -3.136733     -7.993604      2.610491
  H      -7.322686     -5.871939      2.212320
  H      -6.467042     -6.923276      3.348501
  H      -5.319192     -5.374966      0.966218
  H      -5.312326     -7.145521      1.202967
  H      -1.962874     -3.927892      0.593555
  H      -3.677396     -4.127564      0.206194
  H      -1.889905     -5.829901      2.022683
  H      -2.821218     -6.381491      0.604360
  C      -3.321934     -2.019410      1.933371
  C      -2.135876     -1.327707      1.602150
  C      -2.121210      0.058063      1.474424
  C      -3.300814      0.763572      1.677894
  F      -3.269117      2.117225      1.596204
  C      -4.505964      0.118137      1.980189
  C      -5.766834      0.833738      2.221053
  O      -6.805757      0.301791      2.596110
  C      -5.909061      2.336494      1.940836
  O      -6.192162      2.765738      0.848841
  C      -5.783957      3.215172      3.209031
  O      -5.301192      2.812584      4.226098
  Cl     -6.344558      4.881163      2.971659
  C      -4.498264     -1.283319      2.082424
  C      -7.017076     -4.507704      4.571593
  C      -7.556951     -5.482021      5.436877
  C      -8.318554     -5.115771      6.546171
  C      -8.525803     -3.769537      6.808219
  F      -9.247534     -3.409453      7.897609
  C      -8.055185     -2.777001      5.939998
  C      -8.159633     -1.328898      6.218857
  O      -8.493519     -0.477164      5.406125
  C      -7.654598     -0.824258      7.581046
  O      -7.104676     -1.482391      8.434782
  C      -7.869995      0.688751      7.773615
  O      -8.830194      1.180519      8.280436
  Cl     -6.424947      1.618830      7.265824
  C      -7.345741     -3.165736      4.796643
  C      -3.588935     -5.476451      6.296403
  C      -3.189111     -4.399279      7.116966
  C      -3.622409     -4.287881      8.433330
  C      -4.470161     -5.263716      8.941120
  F      -4.928688     -5.132919     10.209740
  C      -4.882881     -6.361008      8.171058
  C      -5.831942     -7.363308      8.666458
  O      -6.378166     -8.215112      7.970103
  C      -6.147694     -7.491224     10.163668
  O      -5.412773     -8.077861     10.920648
  C      -7.543484     -6.950915     10.561891
  O      -8.222229     -6.295904      9.826566
  Cl     -7.995563     -7.348659     12.228021
  C      -4.428434     -6.453059      6.845340
  H      -1.205793     -1.885606      1.481957
  H      -1.203073      0.599752      1.246492
  H      -5.440509     -1.788863      2.300163
  H      -7.341735     -6.539026      5.278418
  H      -8.718538     -5.863517      7.230568
  H      -6.973766     -2.394568      4.122789
  H      -2.527048     -3.643174      6.697131
  H      -3.327263     -3.449024      9.062951
  H      -4.786610     -7.292737      6.248182
  N      -4.401799     -2.658710      4.897090
  N      -4.548397     -1.738626      5.553724
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464650076204
  N      -3.317799     -3.412058      2.168327
  C      -2.941745     -4.242339      1.018570
  C      -2.834470     -5.689715      1.465236
  N      -3.937403     -6.017931      2.407176
  C      -5.254982     -6.170154      1.731696
  C      -6.364613     -6.001864      2.757864
  N      -6.062882     -4.826733      3.587474
  Mo     -4.170334     -4.260148      3.754431
  N      -3.182308     -5.512575      4.947690
  C      -2.694790     -6.778481      4.383899
  C      -3.599056     -7.209142      3.236047
  H      -2.667281     -7.567052      5.151201
  H      -1.656833     -6.639445      4.036037
  H      -4.537552     -7.604729      3.645921
  H      -3.140163     -7.994488      2.610586
  H      -7.326876     -5.867287      2.235036
  H      -6.466555     -6.917575      3.368724
  H      -5.328809     -5.373829      0.978524
  H      -5.323224     -7.144184      1.216864
  H      -1.973536     -3.927525      0.592989
  H      -3.690076     -4.124982      0.211663
  H      -1.895287     -5.830636      2.017677
  H      -2.834853     -6.379937      0.603896
  C      -3.324057     -2.018686      1.937021
  C      -2.136637     -1.329781      1.604622
  C      -2.119217      0.055536      1.473642
  C      -3.297683      0.763689      1.674528
  F      -3.264057      2.117066      1.588763
  C      -4.503909      0.121058      1.978373
  C      -5.763713      0.839696      2.215859
  O      -6.803806      0.310903      2.591879
  C      -5.903285      2.341289      1.927341
  O      -6.184639      2.763785      0.832301
  C      -5.778600      3.228000      3.190174
  O      -5.301630      2.830985      4.212144
  Cl     -6.331724      4.894291      2.938699
  C      -4.498690     -1.280080      2.084912
  C      -7.011828     -4.495220      4.584866
  C      -7.550122     -5.463973      5.457247
  C      -8.312729     -5.090989      6.563545
  C      -8.522827     -3.743192      6.815322
  F      -9.247508     -3.377456      7.900905
  C      -8.053052     -2.756211      5.940475
  C      -8.164735     -1.306180      6.205246
  O      -8.494746     -0.463366      5.381943
  C      -7.673014     -0.785247      7.566975
  O      -7.124173     -1.431385      8.429935
  C      -7.901772      0.727783      7.741928
  O      -8.871721      1.219484      8.229607
  Cl     -6.455393      1.661697      7.243145
  C      -7.341570     -3.152119      4.800607
  C      -3.584780     -5.486702      6.299604
  C      -3.193751     -4.408304      7.122903
  C      -3.628204     -4.302965      8.439199
  C      -4.469173     -5.286154      8.944622
  F      -4.928884     -5.161516     10.213228
  C      -4.873132     -6.384824      8.172024
  C      -5.814934     -7.395113      8.664180
  O      -6.354512     -8.249338      7.965201
  C      -6.131195     -7.532479     10.159853
  O      -5.387588     -8.107261     10.917583
  C      -7.537518     -7.018738     10.555740
  O      -8.220423     -6.361635      9.825971
  Cl     -7.994815     -7.446976     12.212775
  C      -4.417124     -6.470647      6.846263
  H      -1.207457     -1.889452      1.485587
  H      -1.200117      0.595159      1.244649
  H      -5.441705     -1.783144      2.304967
  H      -7.333905     -6.521846      5.305867
  H      -8.712332     -5.834527      7.252777
  H      -6.970788     -2.385279      4.121291
  H      -2.535973     -3.647154      6.705755
  H      -3.339278     -3.463661      9.071063
  H      -4.767835     -7.312518      6.247637
  N      -4.391644     -2.656804      4.903648
  N      -4.540025     -1.734973      5.557496
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464741723060
  N      -3.321531     -3.411781      2.172637
  C      -2.953512     -4.242070      1.020060
  C      -2.845148     -5.690003      1.464882
  N      -3.942403     -6.018008      2.413222
  C      -5.264081     -6.169136      1.745640
  C      -6.367227     -5.997822      2.778067
  N      -6.059472     -4.820673      3.602465
  Mo     -4.164369     -4.259983      3.762757
  N      -3.174272     -5.516471      4.951755
  C      -2.688568     -6.780072      4.381857
  C      -3.599701     -7.209881      3.239216
  H      -2.653595     -7.570658      5.146796
  H      -1.653502     -6.637651      4.026938
  H      -4.535965     -7.605637      3.654008
  H      -3.144260     -7.995158      2.611070
  H      -7.332759     -5.864198      2.261066
  H      -6.465554     -6.911827      3.392181
  H      -5.341245     -5.373576      0.991969
  H      -5.336479     -7.143594      1.232218
  H      -1.987340     -3.928220      0.589161
  H      -3.706520     -4.122910      0.217792
  H      -1.902551     -5.832265      2.011148
  H      -2.851431     -6.379064      0.602612
  C      -3.325088     -2.018217      1.941068
  C      -2.135539     -1.332174      1.611078
  C      -2.115214      0.052970      1.478080
  C      -3.293257      0.763455      1.674076
  F      -3.257195      2.116541      1.585645
  C      -4.501576      0.123349      1.975746
  C      -5.761215      0.844491      2.206989
  O      -6.803454      0.318234      2.580657
  C      -5.898473      2.345045      1.911379
  O      -6.175026      2.762289      0.813083
  C      -5.778246      3.237961      3.170289
  O      -5.308169      2.845060      4.196998
  Cl     -6.325805      4.903921      2.906737
  C      -4.498726     -1.277551      2.085484
  C      -7.005410     -4.481925      4.600392
  C      -7.540012     -5.444288      5.482048
  C      -8.302698     -5.063714      6.585815
  C      -8.517180     -3.714313      6.825372
  F      -9.244682     -3.341950      7.906780
  C      -8.049526     -2.733741      5.942378
  C      -8.169355     -1.281813      6.192060
  O      -8.496127     -0.448729      5.357894
  C      -7.690330     -0.744138      7.553112
  O      -7.142968     -1.378395      8.425604
  C      -7.932071      0.768857      7.709733
  O      -8.910883      1.260232      8.179467
  Cl     -6.484795      1.706074      7.218671
  C      -7.336772     -3.137515      4.805836
  C      -3.579195     -5.496573      6.302720
  C      -3.199074     -4.416152      7.128582
  C      -3.635257     -4.317759      8.444721
  C      -4.467731     -5.309566      8.947835
  F      -4.929281     -5.191525     10.216221
  C      -4.860889     -6.410304      8.172708
  C      -5.794698     -7.429735      8.660250
  O      -6.324865     -8.287425      7.957732
  C      -6.116271     -7.575591     10.153312
  O      -5.367920     -8.139107     10.914906
  C      -7.533666     -7.086858     10.540832
  O      -8.216866     -6.427129      9.813681
  Cl     -8.003427     -7.545559     12.186335
  C      -4.402667     -6.489143      6.847106
  H      -1.207158     -1.893845      1.495039
  H      -1.194647      0.590893      1.251009
  H      -5.442978     -1.778404      2.305150
  H      -7.321530     -6.502971      5.339562
  H      -8.699777     -5.802595      7.281566
  H      -6.968231     -2.374954      4.120129
  H      -2.547110     -3.648552      6.714469
  H      -3.354113     -3.477286      9.078529
  H      -4.744495     -7.333447      6.246785
  N      -4.380991     -2.653769      4.908603
  N      -4.531246     -1.730287      5.559648
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464831682158
  N      -3.325458     -3.410819      2.176296
  C      -2.965221     -4.241707      1.021541
  C      -2.855517     -5.689987      1.465111
  N      -3.946401     -6.017795      2.420567
  C      -5.272598     -6.168077      1.762013
  C      -6.368399     -5.993536      2.801485
  N      -6.054457     -4.814073      3.619976
  Mo     -4.157168     -4.259130      3.772278
  N      -3.164409     -5.519364      4.956921
  C      -2.680296     -6.780450      4.380827
  C      -3.598427     -7.210036      3.243655
  H      -2.637420     -7.573327      5.143008
  H      -1.648419     -6.634258      4.018453
  H      -4.532035     -7.606692      3.663554
  H      -3.145851     -7.994828      2.612766
  H      -7.337492     -5.860996      2.290904
  H      -6.462689     -6.905670      3.419148
  H      -5.353856     -5.373471      1.007714
  H      -5.349643     -7.142938      1.250071
  H      -2.001388     -3.928856      0.584697
  H      -3.722698     -4.121758      0.223537
  H      -1.909351     -5.833364      2.004911
  H      -2.867864     -6.378002      0.602051
  C      -3.326661     -2.017539      1.943480
  C      -2.136129     -1.334314      1.612009
  C      -2.113005      0.050500      1.475506
  C      -3.289891      0.763223      1.668959
  F      -3.251658      2.115947      1.576774
  C      -4.499538      0.125714      1.971738
  C      -5.758069      0.850056      2.196966
  O      -6.802651      0.327673      2.569706
  C      -5.891559      2.349698      1.895057
  O      -6.164831      2.763234      0.794509
  C      -5.773271      3.247008      3.150893
  O      -5.307965      2.856453      4.180821
  Cl     -6.315117      4.912993      2.879074
  C      -4.499129     -1.274753      2.086255
  C      -6.997491     -4.467508      4.617833
  C      -7.529211     -5.423688      5.507989
  C      -8.293735     -5.035941      6.608023
  C      -8.513650     -3.685244      6.835027
  F      -9.245812     -3.306952      7.911233
  C      -8.046993     -2.710988      5.944673
  C      -8.175895     -1.257655      6.179770
  O      -8.500456     -0.433932      5.335725
  C      -7.708474     -0.703584      7.538988
  O      -7.159351     -1.325568      8.418555
  C      -7.965328      0.808634      7.678367
  O      -8.954799      1.296162      8.129286
  Cl     -6.520001      1.753188      7.196552
  C      -7.331249     -3.122428      4.812801
  C      -3.573115     -5.506633      6.306561
  C      -3.203256     -4.425360      7.136093
  C      -3.641360     -4.334959      8.452024
  C      -4.466399     -5.334695      8.951610
  F      -4.929600     -5.224140     10.219907
  C      -4.850364     -6.435776      8.172519
  C      -5.778158     -7.463060      8.653911
  O      -6.300697     -8.321880      7.946444
  C      -6.103663     -7.619661     10.144305
  O      -5.349610     -8.172450     10.908236
  C      -7.531582     -7.157620     10.525601
  O      -8.218073     -6.497139      9.802210
  Cl     -8.008494     -7.645614     12.161101
  C      -4.389477     -6.507113      6.847072
  H      -1.209034     -1.898312      1.496908
  H      -1.191401      0.586176      1.247421
  H      -5.444478     -1.772785      2.307399
  H      -7.307576     -6.483012      5.375028
  H      -8.688592     -5.770371      7.309746
  H      -6.964218     -2.363850      4.122196
  H      -2.556400     -3.651230      6.726506
  H      -3.366937     -3.493977      9.088107
  H      -4.724181     -7.352536      6.244132
  N      -4.369173     -2.649686      4.914437
  N      -4.520543     -1.723849      5.561889
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.464918975601
  N      -3.327123     -3.410933      2.180016
  C      -2.977335     -4.241985      1.022106
  C      -2.866899     -5.690748      1.463958
  N      -3.951592     -6.017633      2.426728
  C      -5.282343     -6.166819      1.777026
  C      -6.371096     -5.988779      2.823306
  N      -6.050711     -4.807163      3.635836
  Mo     -4.151223     -4.258219      3.780245
  N      -3.155941     -5.521746      4.960747
  C      -2.673438     -6.780557      4.378699
  C      -3.598656     -7.210214      3.247110
  H      -2.622673     -7.575493      5.138274
  H      -1.644805     -6.630973      4.008766
  H      -4.529598     -7.607343      3.672435
  H      -3.149377     -7.994546      2.613276
  H      -7.343434     -5.856792      2.318719
  H      -6.462113     -6.899058      3.444272
  H      -5.367411     -5.373038      1.022232
  H      -5.364163     -7.142021      1.266557
  H      -2.016623     -3.930250      0.577638
  H      -3.740510     -4.120562      0.229686
  H      -1.917298     -5.836055      1.997184
  H      -2.886071     -6.377749      0.600215
  C      -3.325799     -2.017347      1.947262
  C      -2.133369     -1.336404      1.619203
  C      -2.107891      0.048403      1.481054
  C      -3.284772      0.762636      1.669017
  F      -3.244332      2.115093      1.574950
  C      -4.496599      0.127087      1.968254
  C      -5.755547      0.853471      2.184439
  O      -6.802857      0.333516      2.553206
  C      -5.887011      2.351933      1.875851
  O      -6.152653      2.761923      0.772042
  C      -5.777235      3.253248      3.129430
  O      -5.318901      2.864722      4.163306
  Cl     -6.316066      4.918513      2.849460
  C      -4.498025     -1.273167      2.085675
  C      -6.988716     -4.453058      4.635616
  C      -7.513930     -5.402933      5.536418
  C      -8.277527     -5.008142      6.634625
  C      -8.503801     -3.656356      6.848751
  F      -9.238051     -3.271859      7.921276
  C      -8.042007     -2.688306      5.948884
  C      -8.179981     -1.233808      6.169763
  O      -8.500854     -0.419749      5.314999
  C      -7.725527     -0.663412      7.527466
  O      -7.176758     -1.272981      8.416069
  C      -7.994319      0.848492      7.649023
  O      -8.992534      1.332870      8.083855
  Cl     -6.550763      1.798042      7.173426
  C      -7.326108     -3.107300      4.819562
  C      -3.567143     -5.516333      6.309409
  C      -3.208778     -4.433330      7.141875
  C      -3.649523     -4.350422      8.457450
  C      -4.466742     -5.358108      8.953727
  F      -4.932645     -5.254165     10.221496
  C      -4.839903     -6.460582      8.171287
  C      -5.761520     -7.495961      8.646421
  O      -6.274837     -8.356861      7.934303
  C      -6.093352     -7.661087     10.134060
  O      -5.335418     -8.202271     10.902468
  C      -7.532284     -7.225939     10.505460
  O      -8.222682     -6.570226      9.781473
  Cl     -8.016350     -7.734918     12.132861
  C      -4.375606     -6.525075      6.846511
  H      -1.207062     -1.902493      1.507849
  H      -1.184742      0.582582      1.255815
  H      -5.444750     -1.769582      2.304487
  H      -7.288003     -6.462585      5.413086
  H      -8.667059     -5.737978      7.344142
  H      -6.962799     -2.352449      4.122158
  H      -2.567831     -3.652345      6.736201
  H      -3.382846     -3.508276      9.095319
  H      -4.702313     -7.372080      6.241480
  N      -4.358704     -2.646056      4.918878
  N      -4.510099     -1.718197      5.563283
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465007892514
  N      -3.327722     -3.410994      2.183198
  C      -2.989414     -4.242648      1.022315
  C      -2.878119     -5.691664      1.462863
  N      -3.955755     -6.017113      2.434193
  C      -5.291537     -6.165466      1.794585
  C      -6.372491     -5.983333      2.848277
  N      -6.045201     -4.799301      3.654223
  Mo     -4.144069     -4.256136      3.788726
  N      -3.145786     -5.522205      4.965352
  C      -2.664533     -6.778774      4.377453
  C      -3.597205     -7.209646      3.252140
  H      -2.604676     -7.575208      5.134796
  H      -1.639687     -6.625219      3.999037
  H      -4.525117     -7.607279      3.683593
  H      -3.151438     -7.993481      2.615247
  H      -7.348170     -5.851844      2.349971
  H      -6.460342     -6.891486      3.472856
  H      -5.381032     -5.372882      1.038994
  H      -5.378618     -7.141272      1.286230
  H      -2.032349     -3.932071      0.569199
  H      -3.758775     -4.120198      0.235914
  H      -1.924733     -5.839090      1.988684
  H      -2.905331     -6.378169      0.598952
  C      -3.324733     -2.017378      1.949330
  C      -2.130956     -1.338548      1.622676
  C      -2.103456      0.046015      1.481532
  C      -3.280078      0.761492      1.664617
  F      -3.237910      2.113649      1.567591
  C      -4.493488      0.127890      1.961970
  C      -5.752225      0.856522      2.169773
  O      -6.801981      0.339592      2.536141
  C      -5.880672      2.354041      1.856158
  O      -6.140774      2.762479      0.750418
  C      -5.776028      3.257057      3.108682
  O      -5.321272      2.868769      4.144390
  Cl     -6.313040      4.922144      2.825752
  C      -4.496740     -1.272038      2.083485
  C      -6.978598     -4.436817      4.655045
  C      -7.498509     -5.380923      5.565094
  C      -8.262971     -4.980012      6.660335
  C      -8.496408     -3.627478      6.861777
  F      -9.234093     -3.237331      7.929889
  C      -8.038629     -2.665156      5.953349
  C      -8.186752     -1.209839      6.160844
  O      -8.506372     -0.405304      5.296539
  C      -7.743734     -0.623487      7.515283
  O      -7.191297     -1.219742      8.410274
  C      -8.027078      0.887093      7.621492
  O      -9.036133      1.363993      8.039576
  Cl     -6.587320      1.846591      7.157821
  C      -7.320466     -3.091103      4.828036
  C      -3.561280     -5.525233      6.312505
  C      -3.214079     -4.441748      7.149148
  C      -3.657911     -4.367421      8.464304
  C      -4.468505     -5.382628      8.955607
  F      -4.937797     -5.285910     10.222627
  C      -4.831712     -6.485084      8.168290
  C      -5.748412     -7.528037      8.635917
  O      -6.254562     -8.388554      7.918027
  C      -6.083928     -7.704348     10.121288
  O      -5.320946     -8.235839     10.891479
  C      -7.532319     -7.296302     10.486957
  O      -8.229804     -6.646943      9.763998
  Cl     -8.016907     -7.824012     12.108556
  C      -4.363582     -6.541846      6.844364
  H      -1.205527     -1.906758      1.514764
  H      -1.179007      0.578413      1.257509
  H      -5.444617     -1.766957      2.300581
  H      -7.268169     -6.440661      5.450548
  H      -8.648421     -5.705640      7.376442
  H      -6.960094     -2.339888      4.125424
  H      -2.578097     -3.654188      6.748523
  H      -3.398492     -3.525028      9.104870
  H      -4.683141     -7.389518      6.236390
  N      -4.346933     -2.640806      4.923076
  N      -4.497303     -1.710041      5.563552
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465098883739
  N      -3.326037     -3.412254      2.186828
  C      -3.001486     -4.243806      1.022012
  C      -2.889865     -5.693213      1.460527
  N      -3.960302     -6.016414      2.440939
  C      -5.301149     -6.163772      1.811417
  C      -6.374666     -5.977241      2.872100
  N      -6.040012     -4.791151      3.671980
  Mo     -4.137552     -4.253819      3.796024
  N      -3.136420     -5.522059      4.969001
  C      -2.656294     -6.776537      4.375282
  C      -3.596645     -7.208947      3.256702
  H      -2.586525     -7.573547      5.131154
  H      -1.635569     -6.618670      3.987900
  H      -4.521653     -7.606212      3.694730
  H      -3.155409     -7.992723      2.616661
  H      -7.353280     -5.845639      2.379545
  H      -6.460271     -6.883345      3.499968
  H      -5.394785     -5.372491      1.054937
  H      -5.393411     -7.140451      1.305738
  H      -2.048444     -3.934439      0.559617
  H      -3.778122     -4.119068      0.243056
  H      -1.932546     -5.843696      1.978213
  H      -2.926693     -6.379477      0.596821
  C      -3.321927     -2.018200      1.952413
  C      -2.125948     -1.340826      1.631169
  C      -2.097059      0.043526      1.487986
  C      -3.274446      0.759627      1.663334
  F      -3.231120      2.111585      1.564152
  C      -4.489714      0.127374      1.955478
  C      -5.749214      0.857086      2.154683
  O      -6.800894      0.341589      2.517666
  C      -5.876074      2.353600      1.836279
  O      -6.129079      2.760322      0.728271
  C      -5.779168      3.258258      3.088118
  O      -5.328230      2.870857      4.125859
  Cl     -6.317106      4.922634      2.802297
  C      -4.494240     -1.272393      2.079760
  C      -6.968538     -4.420241      4.674331
  C      -7.481586     -5.358513      5.594460
  C      -8.245382     -4.951761      6.687817
  C      -8.485885     -3.598631      6.876833
  F      -9.225408     -3.202503      7.941436
  C      -8.034312     -2.641967      5.958888
  C      -8.192135     -1.185853      6.152945
  O      -8.509793     -0.391406      5.278396
  C      -7.761295     -0.583116      7.503610
  O      -7.205734     -1.165158      8.406200
  C      -8.058131      0.926121      7.594995
  O      -9.077324      1.395646      7.997041
  Cl     -6.623460      1.895868      7.139881
  C      -7.315420     -3.074562      4.836237
  C      -3.556490     -5.533470      6.314443
  C      -3.221465     -4.449429      7.155311
  C      -3.668987     -4.383605      8.469859
  C      -4.472720     -5.406856      8.955617
  F      -4.946584     -5.317415     10.221437
  C      -4.824183     -6.509870      8.163508
  C      -5.735017     -7.561250      8.623840
  O      -6.232780     -8.422213      7.900771
  C      -6.074363     -7.747111     10.107354
  O      -5.307401     -8.270063     10.879428
  C      -7.530491     -7.362201     10.467610
  O      -8.234642     -6.720552      9.744116
  Cl     -8.014544     -7.902449     12.085031
  C      -4.351823     -6.558605      6.840901
  H      -1.200671     -1.910466      1.529501
  H      -1.171067      0.574951      1.268077
  H      -5.443100     -1.767152      2.292984
  H      -7.246985     -6.418126      5.487513
  H      -8.626154     -5.672963      7.410979
  H      -6.959150     -2.327233      4.127193
  H      -2.590533     -3.655576      6.759165
  H      -3.418070     -3.541175      9.113772
  H      -4.662496     -7.407546      6.230204
  N      -4.335719     -2.635780      4.926204
  N      -4.484165     -1.702121      5.562913
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465192032748
  N      -3.321768     -3.414536      2.190126
  C      -3.012948     -4.245906      1.021086
  C      -2.901965     -5.695759      1.457158
  N      -3.964386     -6.015529      2.447826
  C      -5.310708     -6.161703      1.829424
  C      -6.376323     -5.970143      2.897288
  N      -6.033508     -4.782056      3.691042
  Mo     -4.130047     -4.250837      3.802910
  N      -3.126108     -5.521263      4.972351
  C      -2.647039     -6.773515      4.372568
  C      -3.595649     -7.207938      3.261689
  H      -2.565686     -7.570405      5.127395
  H      -1.631176     -6.610258      3.975078
  H      -4.517726     -7.604232      3.706775
  H      -3.159731     -7.992190      2.618673
  H      -7.357889     -5.838169      2.410739
  H      -6.459794     -6.874063      3.528586
  H      -5.408632     -5.372080      1.071735
  H      -5.408572     -7.139616      1.327237
  H      -2.063979     -3.938417      0.549055
  H      -3.797545     -4.117770      0.250620
  H      -1.940306     -5.850478      1.965344
  H      -2.950729     -6.381969      0.594074
  C      -3.317441     -2.020096      1.954591
  C      -2.119434     -1.343442      1.639208
  C      -2.089912      0.040571      1.493700
  C      -3.268450      0.756745      1.660455
  F      -3.224949      2.108530      1.558746
  C      -4.485220      0.125220      1.946908
  C      -5.745712      0.855267      2.138382
  O      -6.798924      0.340276      2.497610
  C      -5.871477      2.351325      1.817436
  O      -6.118531      2.757976      0.708161
  C      -5.781254      3.255536      3.070153
  O      -5.331273      2.868273      4.108399
  Cl     -6.324548      4.918485      2.785683
  C      -4.490386     -1.274381      2.074047
  C      -6.957691     -4.402246      4.694415
  C      -7.463897     -5.334649      5.624536
  C      -8.227574     -4.922620      6.715713
  C      -8.475931     -3.569162      6.891863
  F      -9.217571     -3.167085      7.952713
  C      -8.030711     -2.618296      5.964590
  C      -8.198858     -1.161734      6.144873
  O      -8.514714     -0.377643      5.260156
  C      -7.780896     -0.542694      7.491242
  O      -7.219729     -1.109637      8.399764
  C      -8.094381      0.963818      7.570130
  O      -9.125632      1.421066      7.955990
  Cl     -6.664827      1.949051      7.136611
  C      -7.310175     -3.056979      4.845064
  C      -3.552309     -5.541345      6.315464
  C      -3.229535     -4.457414      7.161398
  C      -3.681001     -4.400592      8.475133
  C      -4.478303     -5.432141      8.954261
  F      -4.957278     -5.350835     10.218709
  C      -4.817882     -6.534989      8.156643
  C      -5.723305     -7.594662      8.609124
  O      -6.212848     -8.455421      7.880514
  C      -6.065557     -7.789796     10.091007
  O      -5.295451     -8.307399     10.863591
  C      -7.526737     -7.421849     10.448356
  O      -8.236848     -6.786837      9.724644
  Cl     -8.008305     -7.969834     12.063446
  C      -4.340987     -6.575016      6.835580
  H      -1.193822     -1.913769      1.544492
  H      -1.162614      0.571532      1.278163
  H      -5.439820     -1.769710      2.283593
  H      -7.224713     -6.393910      5.524558
  H      -8.603936     -5.639420      7.445677
  H      -6.957844     -2.313605      4.130049
  H      -2.602896     -3.657773      6.769941
  H      -3.438852     -3.558924      9.123396
  H      -4.642153     -7.424982      6.221795
  N      -4.322485     -2.629802      4.928821
  N      -4.467566     -1.692437      5.561143
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465281505814
  N      -3.317140     -3.417217      2.194012
  C      -3.024175     -4.247748      1.020317
  C      -2.914539     -5.698426      1.453320
  N      -3.968740     -6.014550      2.454179
  C      -5.320361     -6.159006      1.846752
  C      -6.378015     -5.962469      2.921629
  N      -6.026695     -4.772913      3.709961
  Mo     -4.122263     -4.248219      3.809767
  N      -3.116190     -5.521689      4.975510
  C      -2.638574     -6.771478      4.369057
  C      -3.595542     -7.207130      3.265990
  H      -2.545377     -7.568272      5.122610
  H      -1.627777     -6.602376      3.961465
  H      -4.514905     -7.602136      3.717830
  H      -3.165348     -7.992299      2.620260
  H      -7.362515     -5.829733      2.441323
  H      -6.459295     -6.864376      3.556131
  H      -5.422253     -5.370978      1.087912
  H      -5.423934     -7.138142      1.348096
  H      -2.078738     -3.942551      0.539685
  H      -3.816465     -4.114952      0.258575
  H      -1.948439     -5.857968      1.951375
  H      -2.975945     -6.384166      0.590743
  C      -3.312990     -2.022421      1.957621
  C      -2.112875     -1.346067      1.649174
  C      -2.082953      0.037630      1.501907
  C      -3.262941      0.753667      1.659757
  F      -3.219685      2.105298      1.555950
  C      -4.481066      0.122359      1.939901
  C      -5.742842      0.851938      2.125299
  O      -6.797022      0.336325      2.480598
  C      -5.868256      2.347776      1.802787
  O      -6.110558      2.753886      0.692387
  C      -5.783956      3.252027      3.056047
  O      -5.334343      2.866293      4.094947
  Cl     -6.333504      4.913039      2.771361
  C      -4.486522     -1.277094      2.069088
  C      -6.947389     -4.384547      4.713817
  C      -7.447014     -5.310766      5.653786
  C      -8.210300     -4.893132      6.742868
  C      -8.465635     -3.539284      6.906419
  F      -9.209298     -3.131397      7.963583
  C      -8.026343     -2.594562      5.970138
  C      -8.204118     -1.137395      6.135295
  O      -8.516610     -0.364263      5.239696
  C      -7.799351     -0.500794      7.477063
  O      -7.232356     -1.051891      8.391893
  C      -8.131600      1.002447      7.542577
  O      -9.175036      1.448203      7.909220
  Cl     -6.712651      2.005297      7.116712
  C      -7.304466     -3.039494      4.853526
  C      -3.548755     -5.549756      6.316039
  C      -3.237892     -4.466533      7.167376
  C      -3.693088     -4.418573      8.480089
  C      -4.483662     -5.458629      8.952589
  F      -4.967327     -5.385918     10.215803
  C      -4.811353     -6.561145      8.149678
  C      -5.710332     -7.629512      8.594998
  O      -6.191757     -8.490343      7.861239
  C      -6.055376     -7.832768     10.075216
  O      -5.283425     -8.347566     10.847933
  C      -7.519772     -7.476420     10.430358
  O      -8.232935     -6.843863      9.707241
  Cl     -8.001032     -8.032772     12.042108
  C      -4.330364     -6.592012      6.829959
  H      -1.186596     -1.916486      1.561576
  H      -1.154528      0.568735      1.291541
  H      -5.436319     -1.773149      2.275503
  H      -7.203544     -6.369683      5.560688
  H      -8.582474     -5.605168      7.479694
  H      -6.956109     -2.300522      4.132088
  H      -2.615350     -3.661563      6.780557
  H      -3.459776     -3.578209      9.133225
  H      -4.621524     -7.442995      6.212889
  N      -4.307823     -2.624376      4.931688
  N      -4.449338     -1.683343      5.559422
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465371054491
  N      -3.311085     -3.420943      2.197136
  C      -3.033856     -4.250600      1.018976
  C      -2.927394     -5.702395      1.448653
  N      -3.973644     -6.014098      2.459330
  C      -5.330331     -6.155963      1.862451
  C      -6.380040     -5.954092      2.943980
  N      -6.019844     -4.763459      3.727238
  Mo     -4.113951     -4.246365      3.815743
  N      -3.106722     -5.524215      4.977694
  C      -2.631664     -6.771577      4.364381
  C      -3.597004     -7.207231      3.269017
  H      -2.527136     -7.568860      5.115970
  H      -1.625939     -6.596883      3.946893
  H      -4.514120     -7.600512      3.726893
  H      -3.172678     -7.993734      2.620987
  H      -7.367386     -5.819974      2.470066
  H      -6.459189     -6.854056      3.581595
  H      -5.435396     -5.369398      1.102512
  H      -5.439939     -7.136151      1.367141
  H      -2.091132     -3.948761      0.530849
  H      -3.833034     -4.112001      0.265567
  H      -1.957121     -5.867898      1.936414
  H      -3.002052     -6.386988      0.586288
  C      -3.306985     -2.025851      1.960093
  C      -2.105270     -1.349010      1.659077
  C      -2.075452      0.034571      1.511072
  C      -3.257030      0.749992      1.660551
  F      -3.214490      2.101502      1.555688
  C      -4.476402      0.118049      1.933667
  C      -5.739821      0.846348      2.113449
  O      -6.795221      0.329011      2.462373
  C      -5.865144      2.342839      1.792749
  O      -6.102293      2.750444      0.681899
  C      -5.787686      3.244949      3.048258
  O      -5.337381      2.859980      4.087105
  Cl     -6.347047      4.903002      2.765971
  C      -4.481469     -1.281308      2.063802
  C      -6.937446     -4.366938      4.731226
  C      -7.430940     -5.286510      5.680979
  C      -8.194265     -4.863008      6.767588
  C      -8.456208     -3.508806      6.918300
  F      -9.202202     -3.095235      7.971519
  C      -8.021665     -2.570686      5.973510
  C      -8.208891     -1.113305      6.122972
  O      -8.515351     -0.350749      5.216335
  C      -7.820620     -0.459843      7.461658
  O      -7.248120     -0.995405      8.382033
  C      -8.174872      1.038532      7.514524
  O      -9.231140      1.468671      7.862993
  Cl     -6.763108      2.061826      7.115930
  C      -7.298218     -3.021989      4.860055
  C      -3.545031     -5.559105      6.315665
  C      -3.245694     -4.475535      7.171074
  C      -3.703941     -4.434831      8.482625
  C      -4.487187     -5.483026      8.950219
  F      -4.974459     -5.417899     10.212535
  C      -4.803485     -6.585961      8.143712
  C      -5.695791     -7.662170      8.583647
  O      -6.168632     -8.524480      7.845952
  C      -6.044097     -7.870640     10.062066
  O      -5.271470     -8.382817     10.836014
  C      -7.510941     -7.522223     10.413544
  O      -8.224822     -6.891289      9.689465
  Cl     -7.994492     -8.084222     12.022323
  C      -4.318890     -6.609281      6.825026
  H      -1.177991     -1.918787      1.577776
  H      -1.146255      0.566580      1.306388
  H      -5.431526     -1.778265      2.267098
  H      -7.183020     -6.345050      5.595414
  H      -8.562593     -5.570253      7.511008
  H      -6.953465     -2.287590      4.132108
  H      -2.627475     -3.665699      6.787600
  H      -3.479346     -3.595135      9.139648
  H      -4.600261     -7.461598      6.205484
  N      -4.291018     -2.619416      4.934350
  N      -4.428082     -1.674511      5.557526
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465462644375
  N      -3.305046     -3.424986      2.199788
  C      -3.044011     -4.253666      1.017001
  C      -2.941353     -5.706894      1.443351
  N      -3.979201     -6.014173      2.464012
  C      -5.340953     -6.153066      1.878087
  C      -6.381687     -5.945974      2.966979
  N      -6.012278     -4.754365      3.744891
  Mo     -4.104605     -4.245094      3.821680
  N      -3.096456     -5.528199      4.979512
  C      -2.625026     -6.773003      4.358745
  C      -3.599139     -7.207957      3.271300
  H      -2.509517     -7.571598      5.107394
  H      -1.624474     -6.593111      3.931275
  H      -4.513867     -7.599748      3.735174
  H      -3.180623     -7.995843      2.621083
  H      -7.372360     -5.810390      2.500632
  H      -6.457722     -6.843981      3.607819
  H      -5.449406     -5.367778      1.117266
  H      -5.457120     -7.133986      1.385703
  H      -2.103946     -3.955751      0.521297
  H      -3.849822     -4.108811      0.271968
  H      -1.966848     -5.878629      1.920292
  H      -3.029377     -6.389638      0.580840
  C      -3.301142     -2.029637      1.962352
  C      -2.098162     -1.351980      1.669253
  C      -2.068368      0.031735      1.521858
  C      -3.251493      0.746265      1.663945
  F      -3.209487      2.097693      1.559656
  C      -4.472194      0.113181      1.929184
  C      -5.737274      0.839880      2.103630
  O      -6.794340      0.320306      2.444056
  C      -5.861983      2.337666      1.787879
  O      -6.093880      2.748538      0.677148
  C      -5.791577      3.236072      3.046567
  O      -5.339607      2.851495      4.084798
  Cl     -6.362543      4.890662      2.768093
  C      -4.476783     -1.286205      2.058910
  C      -6.927023     -4.349905      4.748603
  C      -7.415472     -5.262440      5.707663
  C      -8.179725     -4.832346      6.790913
  C      -8.447546     -3.477713      6.928632
  F      -9.196655     -3.058535      7.977301
  C      -8.015833     -2.546595      5.976051
  C      -8.212382     -1.089207      6.109106
  O      -8.511787     -0.337049      5.191640
  C      -7.841481     -0.418713      7.444880
  O      -7.262087     -0.938194      8.369569
  C      -8.222561      1.073142      7.484978
  O      -9.292559      1.486009      7.811841
  Cl     -6.824087      2.121000      7.104067
  C      -7.290148     -3.004963      4.866688
  C      -3.539886     -5.569716      6.315024
  C      -3.251676     -4.485810      7.174146
  C      -3.712635     -4.452062      8.484468
  C      -4.488266     -5.508005      8.947790
  F      -4.978421     -5.450033     10.209482
  C      -4.793814     -6.611404      8.138306
  C      -5.679420     -7.694916      8.573360
  O      -6.143702     -8.559031      7.831977
  C      -6.032786     -7.907166     10.049538
  O      -5.262625     -8.420365     10.825426
  C      -7.500573     -7.559123     10.395868
  O      -8.210199     -6.924851      9.670345
  Cl     -7.992217     -8.126404     12.000333
  C      -4.305826     -6.627576      6.820370
  H      -1.169961     -1.921054      1.593251
  H      -1.138573      0.565083      1.323460
  H      -5.427348     -1.783691      2.258623
  H      -7.163178     -6.320638      5.630773
  H      -8.545104     -5.534617      7.540504
  H      -6.948644     -2.275612      4.132159
  H      -2.638090     -3.671025      6.794231
  H      -3.496365     -3.612846      9.144864
  H      -4.578209     -7.480860      6.198178
  N      -4.271370     -2.614467      4.936602
  N      -4.403454     -1.665615      5.554987
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465554927542
  N      -3.300004     -3.428534      2.201874
  C      -3.053257     -4.256515      1.015332
  C      -2.954469     -5.711128      1.438837
  N      -3.984922     -6.014671      2.467918
  C      -5.351127     -6.150005      1.891743
  C      -6.383137     -5.938321      2.987680
  N      -6.004759     -4.746262      3.760896
  Mo     -4.094994     -4.244844      3.827491
  N      -3.086612     -5.534049      4.981128
  C      -2.620003     -6.776601      4.353061
  C      -3.602276     -7.209534      3.272377
  H      -2.496281     -7.577592      5.097909
  H      -1.623734     -6.593495      3.917119
  H      -4.514906     -7.600062      3.741400
  H      -3.189017     -7.998372      2.619863
  H      -7.376975     -5.800549      2.528879
  H      -6.456372     -6.834787      3.631077
  H      -5.462371     -5.365347      1.130626
  H      -5.473786     -7.131007      1.401117
  H      -2.115572     -3.962517      0.512753
  H      -3.864440     -4.106154      0.277303
  H      -1.976458     -5.888572      1.906354
  H      -3.053754     -6.391523      0.575708
  C      -3.295740     -2.032964      1.964331
  C      -2.092139     -1.354746      1.677094
  C      -2.062276      0.029358      1.531198
  C      -3.246451      0.743132      1.668635
  F      -3.204461      2.094524      1.566217
  C      -4.468356      0.108939      1.927188
  C      -5.734967      0.834121      2.096459
  O      -6.793961      0.312407      2.427668
  C      -5.859206      2.333123      1.786511
  O      -6.084941      2.747647      0.675762
  C      -5.797110      3.227801      3.048171
  O      -5.344403      2.843488      4.086160
  Cl     -6.378547      4.879137      2.772700
  C      -4.472453     -1.290489      2.055861
  C      -6.916677     -4.334412      4.764092
  C      -7.401177     -5.239886      5.731666
  C      -8.165827     -4.802465      6.811654
  C      -8.437759     -3.447304      6.937460
  F      -9.189198     -3.022625      7.982145
  C      -8.008107     -2.523103      5.977313
  C      -8.213471     -1.065885      6.094335
  O      -8.503212     -0.323613      5.165873
  C      -7.862598     -0.378436      7.428053
  O      -7.276664     -0.881244      8.357831
  C      -8.272645      1.106109      7.453305
  O      -9.355700      1.500345      7.759254
  Cl     -6.887250      2.178818      7.093507
  C      -7.280881     -2.989200      4.871800
  C      -3.534329     -5.581740      6.314501
  C      -3.256222     -4.496904      7.176215
  C      -3.719476     -4.469011      8.485511
  C      -4.487850     -5.531563      8.945747
  F      -4.979777     -5.479701     10.207238
  C      -4.784026     -6.635700      8.134224
  C      -5.663013     -7.725569      8.565926
  O      -6.118616     -8.592670      7.822201
  C      -6.021717     -7.939970     10.040088
  O      -5.254540     -8.453705     10.818640
  C      -7.490821     -7.592217     10.380320
  O      -8.195754     -6.955339      9.652428
  Cl     -7.991362     -8.163223     11.980938
  C      -4.292977     -6.646301      6.816878
  H      -1.163444     -1.923465      1.604077
  H      -1.132138      0.563903      1.337774
  H      -5.423772     -1.787918      2.252062
  H      -7.145477     -6.297923      5.663898
  H      -8.528629     -5.499714      7.567074
  H      -6.942586     -2.265227      4.130292
  H      -2.647171     -3.677345      6.799636
  H      -3.510301     -3.629679      9.148061
  H      -4.557857     -7.500393      6.192611
  N      -4.250886     -2.610742      4.939269
  N      -4.377213     -1.658303      5.553119
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465647611222
  N      -3.294209     -3.433174      2.202019
  C      -3.063302     -4.261142      1.012206
  C      -2.968289     -5.716782      1.433944
  N      -3.991460     -6.016134      2.471561
  C      -5.362092     -6.148298      1.905457
  C      -6.384831     -5.931675      3.008797
  N      -5.997343     -4.738692      3.776252
  Mo     -4.085419     -4.244556      3.831627
  N      -3.076413     -5.538991      4.981634
  C      -2.615137     -6.779860      4.347088
  C      -3.605916     -7.211575      3.273691
  H      -2.483988     -7.583047      5.088388
  H      -1.623037     -6.595004      3.902558
  H      -4.516056     -7.600515      3.748769
  H      -3.198164     -8.001428      2.618913
  H      -7.381992     -5.791823      2.557961
  H      -6.455044     -6.826290      3.655131
  H      -5.476479     -5.364378      1.143995
  H      -5.491325     -7.129373      1.416709
  H      -2.129000     -3.971241      0.500866
  H      -3.880483     -4.106105      0.281761
  H      -1.987036     -5.899463      1.892507
  H      -3.078294     -6.395330      0.570657
  C      -3.289849     -2.037124      1.964352
  C      -2.085423     -1.358012      1.685230
  C      -2.055437      0.026681      1.542634
  C      -3.240789      0.739233      1.675224
  F      -3.198482      2.090747      1.577057
  C      -4.464226      0.103668      1.924421
  C      -5.732257      0.827462      2.087543
  O      -6.794177      0.303258      2.405675
  C      -5.855037      2.328456      1.788126
  O      -6.071824      2.750794      0.678344
  C      -5.804420      3.215053      3.055723
  O      -5.350373      2.828201      4.092248
  Cl     -6.399977      4.862841      2.789327
  C      -4.468097     -1.296165      2.049992
  C      -6.905629     -4.318924      4.779153
  C      -7.387021     -5.216948      5.755193
  C      -8.151779     -4.771491      6.831723
  C      -8.427130     -3.415955      6.945428
  F      -9.180335     -2.984809      7.986026
  C      -7.998784     -2.498982      5.977632
  C      -8.212508     -1.042617      6.080560
  O      -8.492767     -0.308546      5.142665
  C      -7.882949     -0.341159      7.412722
  O      -7.289155     -0.827099      8.345286
  C      -8.325624      1.133821      7.427081
  O      -9.422255      1.504548      7.713051
  Cl     -6.958648      2.236327      7.086702
  C      -7.270124     -2.973450      4.876502
  C      -3.527073     -5.592922      6.313344
  C      -3.259846     -4.506424      7.176543
  C      -3.725646     -4.483984      8.484951
  C      -4.486221     -5.552927      8.942588
  F      -4.980292     -5.506399     10.203746
  C      -4.772193     -6.658579      8.129700
  C      -5.643963     -7.754916      8.558716
  O      -6.088749     -8.626876      7.813833
  C      -6.011804     -7.968015     10.030763
  O      -5.250877     -8.482362     10.814927
  C      -7.482831     -7.617533     10.360118
  O      -8.181094     -6.981812      9.624774
  Cl     -7.996421     -8.183748     11.958467
  C      -4.277906     -6.664348      6.813157
  H      -1.156411     -1.926721      1.615856
  H      -1.124757      0.562620      1.355937
  H      -5.420504     -1.793851      2.240094
  H      -7.128992     -6.274967      5.696713
  H      -8.512461     -5.463410      7.593022
  H      -6.934961     -2.255392      4.127673
  H      -2.656073     -3.681733      6.803207
  H      -3.523898     -3.643704      9.148616
  H      -4.534927     -7.519699      6.187311
  N      -4.229138     -2.605881      4.938803
  N      -4.347937     -1.649634      5.548443
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465743555418
  N      -3.291867     -3.435734      2.203392
  C      -3.075430     -4.263714      1.011013
  C      -2.981025     -5.719889      1.431231
  N      -3.996772     -6.017249      2.476663
  C      -5.371785     -6.147118      1.920923
  C      -6.385205     -5.926956      3.031998
  N      -5.989278     -4.733050      3.793950
  Mo     -4.075640     -4.244640      3.837735
  N      -3.064991     -5.543721      4.983551
  C      -2.608150     -6.782556      4.342366
  C      -3.607024     -7.213340      3.275640
  H      -2.470622     -7.587982      5.080121
  H      -1.619814     -6.596349      3.890272
  H      -4.514005     -7.601786      3.757086
  H      -3.204272     -8.003119      2.617708
  H      -7.385786     -5.785595      2.589288
  H      -6.452060     -6.820163      3.680658
  H      -5.490368     -5.363582      1.159656
  H      -5.506823     -7.128080      1.433579
  H      -2.145527     -3.976219      0.490221
  H      -3.898905     -4.106025      0.288125
  H      -1.996635     -5.905482      1.881812
  H      -3.099248     -6.397112      0.567941
  C      -3.286733     -2.039311      1.965649
  C      -2.081478     -1.360439      1.691391
  C      -2.050910      0.024634      1.550606
  C      -3.236842      0.736806      1.679580
  F      -3.193724      2.088390      1.583992
  C      -4.461532      0.100949      1.922385
  C      -5.730681      0.824074      2.078932
  O      -6.794855      0.298591      2.387763
  C      -5.852847      2.325659      1.784981
  O      -6.061909      2.752077      0.675064
  C      -5.812247      3.208310      3.055217
  O      -5.358580      2.820964      4.091702
  Cl     -6.416445      4.853794      2.792424
  C      -4.465674     -1.299011      2.047005
  C      -6.894082     -4.304742      4.796191
  C      -7.374082     -5.195195      5.779845
  C      -8.137914     -4.740604      6.853235
  C      -8.414167     -3.384376      6.956104
  F      -9.168034     -2.946077      7.993194
  C      -7.987011     -2.474617      5.980309
  C      -8.208925     -1.018554      6.068601
  O      -8.480602     -0.293803      5.120740
  C      -7.900039     -0.300486      7.397176
  O      -7.297185     -0.766982      8.334759
  C      -8.374554      1.165637      7.396186
  O      -9.482976      1.515244      7.662490
  Cl     -7.024991      2.294790      7.072666
  C      -7.258050     -2.958562      4.883247
  C      -3.520099     -5.605153      6.313332
  C      -3.264099     -4.517880      7.179089
  C      -3.732619     -4.502449      8.486958
  C      -4.485999     -5.577900      8.940527
  F      -4.983275     -5.537762     10.200921
  C      -4.761485     -6.684115      8.124628
  C      -5.626361     -7.787580      8.548957
  O      -6.059717     -8.663402      7.801926
  C      -6.004093     -8.002287     10.018706
  O      -5.249737     -8.518545     10.807714
  C      -7.477222     -7.649868     10.338264
  O      -8.169655     -7.014385      9.597291
  Cl     -8.002590     -8.213830     11.933357
  C      -4.263657     -6.683726      6.809442
  H      -1.152791     -1.930014      1.624693
  H      -1.119572      0.560811      1.368035
  H      -5.419204     -1.796283      2.232317
  H      -7.116245     -6.253681      5.729915
  H      -8.497983     -5.426665      7.620116
  H      -6.925707     -2.247252      4.126921
  H      -2.665223     -3.687598      6.810436
  H      -3.537982     -3.661732      9.152219
  H      -4.512781     -7.539961      6.181673
  N      -4.208686     -2.602250      4.940304
  N      -4.320283     -1.642477      5.545305
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465844349240
  N      -3.288982     -3.439604      2.202671
  C      -3.088068     -4.268348      1.008614
  C      -2.993605     -5.724396      1.428490
  N      -4.002552     -6.019316      2.481427
  C      -5.381704     -6.147614      1.935872
  C      -6.386488     -5.923204      3.053982
  N      -5.982360     -4.727862      3.809668
  Mo     -4.067292     -4.244564      3.841472
  N      -3.055062     -5.546993      4.984183
  C      -2.601806     -6.784337      4.337926
  C      -3.608497     -7.215446      3.278175
  H      -2.458418     -7.590774      5.073536
  H      -1.617004     -6.597532      3.878657
  H      -4.512182     -7.602588      3.766748
  H      -3.211152     -8.005490      2.617384
  H      -7.390098     -5.780678      2.618572
  H      -6.450665     -6.814634      3.705377
  H      -5.504494     -5.364981      1.174321
  H      -5.522014     -7.128967      1.450863
  H      -2.163483     -3.983290      0.476839
  H      -3.918655     -4.109090      0.294051
  H      -2.006486     -5.911855      1.872245
  H      -3.119094     -6.401689      0.566230
  C      -3.283072     -2.042565      1.964891
  C      -2.076228     -1.363785      1.698303
  C      -2.044880      0.021614      1.560521
  C      -3.231560      0.733343      1.684451
  F      -3.187520      2.085155      1.592869
  C      -4.457825      0.097297      1.918025
  C      -5.727943      0.819988      2.067554
  O      -6.794998      0.292709      2.363732
  C      -5.849261      2.322972      1.783510
  O      -6.047960      2.757716      0.674760
  C      -5.822388      3.196468      3.060116
  O      -5.369309      2.805075      4.095397
  Cl     -6.438866      4.839367      2.808027
  C      -4.462769     -1.303097      2.040119
  C      -6.883049     -4.290057      4.811296
  C      -7.362902     -5.172546      5.802396
  C      -8.124846     -4.708473      6.872972
  C      -8.400104     -3.351589      6.965480
  F      -9.153629     -2.904759      7.999108
  C      -7.973458     -2.449333      5.981682
  C      -8.202244     -0.994270      6.057944
  O      -8.463969     -0.276775      5.101394
  C      -7.916163     -0.263619      7.384050
  O      -7.303968     -0.710395      8.324805
  C      -8.424386      1.191395      7.373425
  O      -9.544813      1.514005      7.623064
  Cl     -7.096867      2.352117      7.070627
  C      -7.245403     -2.942989      4.888299
  C      -3.513244     -5.615291      6.312330
  C      -3.269412     -4.526789      7.179802
  C      -3.740715     -4.517813      8.487292
  C      -4.486097     -5.599962      8.937157
  F      -4.986768     -5.566258     10.196656
  C      -4.749529     -6.707542      8.118821
  C      -5.605397     -7.819257      8.539874
  O      -6.023813     -8.702013      7.792890
  C      -5.995963     -8.031022     10.007484
  O      -5.250120     -8.546707     10.804540
  C      -7.472297     -7.676437     10.312669
  O      -8.159251     -7.048337      9.560322
  Cl     -8.010122     -8.226406     11.907859
  C      -4.248512     -6.701349      6.805172
  H      -1.147984     -1.934575      1.636068
  H      -1.112411      0.557861      1.384086
  H      -5.417473     -1.800555      2.218662
  H      -7.107541     -6.231913      5.759722
  H      -8.485834     -5.388315      7.645019
  H      -6.915283     -2.238951      4.124189
  H      -2.675967     -3.690849      6.815358
  H      -3.553658     -3.676047      9.153387
  H      -4.488348     -7.559427      6.176445
  N      -4.188643     -2.597839      4.938339
  N      -4.290433     -1.634207      5.539150
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465948187450
  N      -3.288145     -3.442750      2.203016
  C      -3.103188     -4.271885      1.007151
  C      -3.006781     -5.727617      1.426234
  N      -4.007624     -6.021023      2.487560
  C      -5.391295     -6.148630      1.953540
  C      -6.387204     -5.920056      3.078882
  N      -5.975341     -4.722744      3.827604
  Mo     -4.059358     -4.244397      3.846465
  N      -3.044843     -5.549609      4.985558
  C      -2.593306     -6.784716      4.333863
  C      -3.607844     -7.217063      3.281690
  H      -2.441804     -7.591311      5.067718
  H      -1.612842     -6.594902      3.866898
  H      -4.507711     -7.603384      3.777859
  H      -3.216034     -8.007154      2.617753
  H      -7.393974     -5.777717      2.650813
  H      -6.447775     -6.809474      3.733450
  H      -5.519390     -5.367400      1.191417
  H      -5.536517     -7.130948      1.471958
  H      -2.184632     -3.988438      0.463913
  H      -3.941858     -4.111408      0.302184
  H      -2.016452     -5.915917      1.862400
  H      -3.139877     -6.405606      0.565638
  C      -3.280947     -2.045320      1.965155
  C      -2.071892     -1.367180      1.706395
  C      -2.039164      0.018174      1.569859
  C      -3.226394      0.730206      1.686768
  F      -3.181431      2.082115      1.596775
  C      -4.454288      0.094718      1.911748
  C      -5.725053      0.817522      2.053930
  O      -6.794658      0.289224      2.339282
  C      -5.845507      2.321609      1.777234
  O      -6.034649      2.763424      0.669625
  C      -5.831510      3.186385      3.059851
  O      -5.380291      2.790645      4.094321
  Cl     -6.458143      4.827004      2.817553
  C      -4.460652     -1.305842      2.033200
  C      -6.871920     -4.274440      4.828331
  C      -7.352066     -5.148595      5.826855
  C      -8.112301     -4.675108      6.894487
  C      -8.386539     -3.317472      6.976133
  F      -9.139974     -2.861703      8.005899
  C      -7.959986     -2.423056      5.984504
  C      -8.195784     -0.968744      6.047548
  O      -8.448514     -0.259470      5.082175
  C      -7.931522     -0.224450      7.369527
  O      -7.309605     -0.650717      8.313479
  C      -8.471509      1.219462      7.349150
  O      -9.603068      1.516255      7.580509
  Cl     -7.167073      2.410622      7.066600
  C      -7.232754     -2.926403      4.895110
  C      -3.507194     -5.625316      6.311683
  C      -3.276018     -4.536728      7.182300
  C      -3.749908     -4.535471      8.489294
  C      -4.487153     -5.625067      8.934313
  F      -4.991737     -5.599205     10.192543
  C      -4.737910     -6.733068      8.112312
  C      -5.584563     -7.853864      8.528413
  O      -5.987805     -8.742223      7.780145
  C      -5.987725     -8.065333      9.993242
  O      -5.250254     -8.581714     10.797334
  C      -7.466660     -7.708225     10.285338
  O      -8.148067     -7.084872      9.523914
  Cl     -8.016515     -8.248645     11.878885
  C      -4.233864     -6.719338      6.800241
  H      -1.144169     -1.939411      1.650096
  H      -1.105186      0.553752      1.399436
  H      -5.416317     -1.803374      2.206310
  H      -7.099580     -6.208888      5.790862
  H      -8.475066     -5.348342      7.671574
  H      -6.903806     -2.229733      4.123980
  H      -2.687851     -3.695074      6.822606
  H      -3.570851     -3.693509      9.157294
  H      -4.463669     -7.578994      6.170077
  N      -4.169809     -2.593935      4.937690
  N      -4.262691     -1.626422      5.533970
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466058214313
  N      -3.290190     -3.445623      2.203543
  C      -3.120566     -4.275247      1.006218
  C      -3.020324     -5.730314      1.424745
  N      -4.012913     -6.023191      2.494270
  C      -5.400993     -6.151079      1.971984
  C      -6.388642     -5.918236      3.104051
  N      -5.970233     -4.718249      3.845025
  Mo     -4.053485     -4.244700      3.851311
  N      -3.036698     -5.552173      4.986754
  C      -2.585180     -6.784867      4.330363
  C      -3.606878     -7.218949      3.285737
  H      -2.425085     -7.590494      5.063467
  H      -1.609048     -6.590824      3.856381
  H      -4.502914     -7.604293      3.789498
  H      -3.220744     -8.009172      2.618739
  H      -7.398465     -5.777805      2.682665
  H      -6.444766     -6.805297      3.762362
  H      -5.534945     -5.371946      1.208767
  H      -5.550457     -7.135082      1.495145
  H      -2.208473     -3.992744      0.451470
  H      -3.967846     -4.114426      0.311561
  H      -2.026793     -5.917588      1.854060
  H      -3.159618     -6.410111      0.566542
  C      -3.280498     -2.047838      1.965990
  C      -2.067991     -1.371107      1.717918
  C      -2.032755      0.014000      1.582045
  C      -3.220349      0.727432      1.688428
  F      -3.173742      2.079325      1.598900
  C      -4.450637      0.093438      1.902509
  C      -5.722009      0.816940      2.035610
  O      -6.794582      0.287798      2.308207
  C      -5.841712      2.322616      1.766970
  O      -6.019694      2.773011      0.661177
  C      -5.843551      3.175909      3.057642
  O      -5.397131      2.773320      4.091574
  Cl     -6.479649      4.814370      2.827088
  C      -4.459494     -1.307205      2.024027
  C      -6.862344     -4.258320      4.844491
  C      -7.345217     -5.123393      5.849797
  C      -8.103218     -4.639858      6.914498
  C      -8.373433     -3.281034      6.985719
  F      -9.126436     -2.815029      8.011224
  C      -7.944409     -2.395089      5.987125
  C      -8.185401     -0.941537      6.037050
  O      -8.426763     -0.239889      5.063024
  C      -7.943767     -0.184995      7.355241
  O      -7.312200     -0.590021      8.302056
  C      -8.515429      1.246368      7.327565
  O      -9.657739      1.513958      7.542089
  Cl     -7.237394      2.470349      7.069510
  C      -7.219085     -2.908653      4.901612
  C      -3.502084     -5.634819      6.310969
  C      -3.283803     -4.546632      7.185144
  C      -3.759419     -4.553340      8.491704
  C      -4.487242     -5.651180      8.932226
  F      -4.994746     -5.634320     10.189386
  C      -4.724212     -6.759676      8.106653
  C      -5.558458     -7.891513      8.518630
  O      -5.942239     -8.788110      7.770309
  C      -5.977217     -8.100594      9.979720
  O      -5.250153     -8.615788     10.793750
  C      -7.459626     -7.741326     10.253812
  O      -8.133609     -7.124702      9.480169
  Cl     -8.025141     -8.268887     11.845287
  C      -4.218522     -6.737400      6.795672
  H      -1.140954     -1.945190      1.670333
  H      -1.096460      0.548091      1.419727
  H      -5.416242     -1.804740      2.191088
  H      -7.098046     -6.185125      5.819465
  H      -8.470389     -5.305746      7.695898
  H      -6.888666     -2.219759      4.124291
  H      -2.701518     -3.699150      6.829742
  H      -3.588649     -3.711377      9.161791
  H      -4.437255     -7.599019      6.164454
  N      -4.152712     -2.590998      4.936915
  N      -4.236113     -1.619438      5.528539
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466164938069
  N      -3.291724     -3.448550      2.205112
  C      -3.137958     -4.277508      1.005179
  C      -3.035362     -5.732733      1.421780
  N      -4.018318     -6.024934      2.500545
  C      -5.411144     -6.152546      1.990814
  C      -6.389315     -5.915603      3.130398
  N      -5.964172     -4.713094      3.863548
  Mo     -4.046534     -4.245470      3.857163
  N      -3.027352     -5.556149      4.987976
  C      -2.576644     -6.785860      4.325327
  C      -3.605881     -7.220870      3.288520
  H      -2.406470     -7.591506      5.056119
  H      -1.605663     -6.586160      3.843374
  H      -4.498037     -7.606075      3.799205
  H      -3.225191     -8.011023      2.618335
  H      -7.402572     -5.776992      2.716806
  H      -6.439726     -6.800301      3.792497
  H      -5.551147     -5.375360      1.226723
  H      -5.565626     -7.137950      1.518472
  H      -2.231803     -3.996180      0.440079
  H      -3.993307     -4.114483      0.320975
  H      -2.038142     -5.920695      1.842196
  H      -3.183061     -6.412794      0.565213
  C      -3.279806     -2.050585      1.968131
  C      -2.064488     -1.374344      1.732119
  C      -2.027193      0.010670      1.597063
  C      -3.215371      0.724753      1.692130
  F      -3.167643      2.076543      1.603413
  C      -4.447855      0.091302      1.894367
  C      -5.719922      0.814950      2.017911
  O      -6.795501      0.285027      2.276905
  C      -5.837954      2.322370      1.757826
  O      -6.004341      2.781431      0.653966
  C      -5.854971      3.164224      3.056086
  O      -5.413328      2.755013      4.089508
  Cl     -6.499620      4.800439      2.835705
  C      -4.458547     -1.309317      2.015579
  C      -6.852182     -4.242249      4.861597
  C      -7.336550     -5.098380      5.873877
  C      -8.093479     -4.605260      6.934981
  C      -8.361688     -3.245376      6.994999
  F      -9.115244     -2.770447      8.015990
  C      -7.930521     -2.367817      5.989783
  C      -8.177360     -0.914839      6.024707
  O      -8.406954     -0.222033      5.041506
  C      -7.957575     -0.144084      7.337973
  O      -7.316549     -0.528592      8.287169
  C      -8.559973      1.274720      7.301314
  O      -9.712065      1.515361      7.495742
  Cl     -7.308408      2.529459      7.067135
  C      -7.205625     -2.891260      4.908796
  C      -3.496277     -5.646097      6.310206
  C      -3.289959     -4.558437      7.188065
  C      -3.767085     -4.572938      8.493852
  C      -4.485878     -5.678556      8.930164
  F      -4.995726     -5.670005     10.186474
  C      -4.710610     -6.787070      8.101345
  C      -5.534384     -7.928241      8.508763
  O      -5.901776     -8.830537      7.758998
  C      -5.967312     -8.136986      9.965644
  O      -5.251328     -8.655728     10.787118
  C      -7.450514     -7.769144     10.224893
  O      -8.113787     -7.151802      9.442496
  Cl     -8.033886     -8.289200     11.812009
  C      -4.203004     -6.756672      6.791177
  H      -1.137589     -1.949326      1.693595
  H      -1.089023      0.544234      1.444028
  H      -5.416362     -1.806944      2.176252
  H      -7.092149     -6.160959      5.850529
  H      -8.463503     -5.264113      7.721019
  H      -6.873643     -2.209607      4.125835
  H      -2.713470     -3.705487      6.836546
  H      -3.604433     -3.731441      9.166502
  H      -4.411965     -7.619423      6.158274
  N      -4.135007     -2.588959      4.938090
  N      -4.210823     -1.613689      5.524907
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466278195694
  N      -3.297457     -3.451166      2.207457
  C      -3.156489     -4.278381      1.004214
  C      -3.050804     -5.734158      1.418045
  N      -4.024174     -6.027296      2.505241
  C      -5.421425     -6.155014      2.007232
  C      -6.391138     -5.914420      3.153556
  N      -5.961591     -4.708839      3.878772
  Mo     -4.042818     -4.248230      3.862677
  N      -3.022278     -5.562795      4.988215
  C      -2.570969     -6.789188      4.319518
  C      -3.605782     -7.223933      3.288868
  H      -2.391287     -7.594671      5.048126
  H      -1.604605     -6.582161      3.831463
  H      -4.494963     -7.609763      3.804218
  H      -3.229603     -8.013655      2.615598
  H      -7.407646     -5.779741      2.746786
  H      -6.434075     -6.796556      3.819834
  H      -5.567372     -5.380336      1.241801
  H      -5.580604     -7.142293      1.540342
  H      -2.255015     -3.997253      0.431668
  H      -4.018784     -4.112782      0.329580
  H      -2.049942     -5.921568      1.830190
  H      -3.205338     -6.414333      0.562820
  C      -3.281740     -2.052974      1.972565
  C      -2.062253     -1.377407      1.756601
  C      -2.021521      0.007639      1.623165
  C      -3.210346      0.723197      1.699830
  F      -3.160472      2.074703      1.612248
  C      -4.446461      0.090530      1.882722
  C      -5.719766      0.814448      1.991540
  O      -6.799658      0.283454      2.229294
  C      -5.835279      2.325045      1.744438
  O      -5.985426      2.797237      0.644171
  C      -5.873960      3.149500      3.054246
  O      -5.443726      2.728505      4.087755
  Cl     -6.524345      4.784395      2.846640
  C      -4.459933     -1.310012      2.002972
  C      -6.845741     -4.226824      4.874494
  C      -7.335785     -5.074014      5.891508
  C      -8.091149     -4.570996      6.949042
  C      -8.352529     -3.209121      6.999668
  F      -9.105802     -2.724736      8.016440
  C      -7.914400     -2.340028      5.990469
  C      -8.162303     -0.887407      6.010775
  O      -8.372681     -0.201422      5.018737
  C      -7.965789     -0.104970      7.321134
  O      -7.316546     -0.469702      8.272305
  C      -8.598077      1.299266      7.278450
  O      -9.759935      1.508712      7.451575
  Cl     -7.377627      2.588007      7.077175
  C      -7.190705     -2.873485      4.913815
  C      -3.491280     -5.658898      6.309184
  C      -3.293455     -4.572475      7.190999
  C      -3.769945     -4.593582      8.496078
  C      -4.479274     -5.706521      8.930016
  F      -4.987693     -5.706250     10.186858
  C      -4.694147     -6.814951      8.099104
  C      -5.504537     -7.965769      8.505520
  O      -5.852526     -8.877267      7.757044
  C      -5.953863     -8.169209      9.957315
  O      -5.252545     -8.691650     10.789067
  C      -7.436755     -7.786827     10.196666
  O      -8.083957     -7.168351      9.401533
  Cl     -8.044524     -8.292366     11.779423
  C      -4.187730     -6.776776      6.788007
  H      -1.135155     -1.952847      1.732700
  H      -1.080603      0.540648      1.485757
  H      -5.419373     -1.807812      2.153325
  H      -7.096727     -6.137978      5.873740
  H      -8.467064     -5.222543      7.738328
  H      -6.851459     -2.198682      4.127704
  H      -2.722731     -3.714955      6.841447
  H      -3.613652     -3.753254      9.171666
  H      -4.388823     -7.640351      6.153769
  N      -4.120391     -2.590726      4.941035
  N      -4.189035     -1.611897      5.523138
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466390543495
  N      -3.296613     -3.454766      2.209680
  C      -3.171238     -4.279765      1.002650
  C      -3.067363     -5.737047      1.413082
  N      -4.030808     -6.028384      2.509417
  C      -5.432613     -6.153669      2.023230
  C      -6.391852     -5.908894      3.177287
  N      -5.955002     -4.701542      3.895239
  Mo     -4.034611     -4.249595      3.868616
  N      -3.013176     -5.569260      4.989171
  C      -2.565666     -6.792788      4.312701
  C      -3.607843     -7.226107      3.288868
  H      -2.377406     -7.600628      5.036517
  H      -1.604330     -6.581224      3.816767
  H      -4.493888     -7.612568      3.809129
  H      -3.236312     -8.015529      2.612611
  H      -7.411813     -5.774422      2.779216
  H      -6.428769     -6.788886      3.846816
  H      -5.583153     -5.380138      1.257511
  H      -5.598417     -7.141287      1.559399
  H      -2.273978     -4.000678      0.422571
  H      -4.039293     -4.108886      0.336858
  H      -2.062927     -5.928672      1.814499
  H      -3.232798     -6.414626      0.557855
  C      -3.279314     -2.056195      1.976203
  C      -2.058383     -1.379241      1.776919
  C      -2.017028      0.006401      1.646985
  C      -3.207270      0.720589      1.710548
  F      -3.157190      2.072068      1.627204
  C      -4.445311      0.086127      1.876140
  C      -5.720356      0.808316      1.971970
  O      -6.803511      0.275196      2.189557
  C      -5.833781      2.321026      1.737962
  O      -5.970573      2.804424      0.640769
  C      -5.889034      3.132202      3.055358
  O      -5.464060      2.703656      4.087957
  Cl     -6.547654      4.764932      2.857647
  C      -4.458746     -1.314520      1.993352
  C      -6.835442     -4.210214      4.889365
  C      -7.325610     -5.049062      5.913136
  C      -8.080296     -4.536741      6.966679
  C      -8.341616     -3.174096      7.005960
  F      -9.095550     -2.682554      8.018735
  C      -7.901938     -2.312959      5.990645
  C      -8.154152     -0.860845      5.995412
  O      -8.349385     -0.183412      4.994471
  C      -7.979072     -0.063991      7.300559
  O      -7.321484     -0.410530      8.252956
  C      -8.641033      1.326971      7.247627
  O      -9.810640      1.509145      7.399358
  Cl     -7.448017      2.644159      7.073009
  C      -7.176946     -2.855905      4.919172
  C      -3.484313     -5.672317      6.308744
  C      -3.295237     -4.585997      7.193173
  C      -3.773180     -4.613213      8.497268
  C      -4.474955     -5.731997      8.928404
  F      -4.983385     -5.737836     10.185525
  C      -4.681420     -6.840336      8.095649
  C      -5.483318     -7.997743      8.499342
  O      -5.818076     -8.913702      7.749782
  C      -5.943778     -8.201409      9.947466
  O      -5.252321     -8.729222     10.784002
  C      -7.426226     -7.810258     10.175137
  O      -8.062580     -7.189575      9.373092
  Cl     -8.050799     -8.310419     11.753380
  C      -4.173235     -6.796185      6.784832
  H      -1.130536     -1.953862      1.763242
  H      -1.075274      0.541139      1.522848
  H      -5.419527     -1.813005      2.132590
  H      -7.086410     -6.113111      5.904097
  H      -8.455652     -5.181922      7.761354
  H      -6.835721     -2.187394      4.128532
  H      -2.729506     -3.724140      6.846465
  H      -3.623248     -3.773690      9.175348
  H      -4.367942     -7.659725      6.148522
  N      -4.101218     -2.589894      4.943791
  N      -4.164241     -1.608058      5.521487
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466518227154
  N      -3.297075     -3.459096      2.212065
  C      -3.181602     -4.278169      0.998550
  C      -3.082221     -5.738750      1.402901
  N      -4.037071     -6.029980      2.506034
  C      -5.442368     -6.151635      2.027844
  C      -6.392738     -5.904891      3.188327
  N      -5.951658     -4.696391      3.901569
  Mo     -4.028800     -4.254952      3.872002
  N      -3.008652     -5.581590      4.987018
  C      -2.566257     -6.802205      4.301875
  C      -3.612156     -7.230247      3.280059
  H      -2.374217     -7.615337      5.018683
  H      -1.607794     -6.587127      3.801671
  H      -4.497221     -7.619999      3.799603
  H      -3.241769     -8.017940      2.601000
  H      -7.415645     -5.770732      2.797747
  H      -6.422479     -6.783677      3.859745
  H      -5.595252     -5.378362      1.262312
  H      -5.614997     -7.138527      1.565002
  H      -2.284778     -3.999459      0.417996
  H      -4.051312     -4.099055      0.337442
  H      -2.074618     -5.936344      1.793531
  H      -3.257774     -6.410167      0.544846
  C      -3.278797     -2.059272      1.984010
  C      -2.056946     -1.377610      1.819076
  C      -2.016512      0.009712      1.698693
  C      -3.209961      0.719643      1.738016
  F      -3.160865      2.071247      1.665441
  C      -4.450567      0.079849      1.868164
  C      -5.729577      0.797752      1.939417
  O      -6.817689      0.259994      2.117262
  C      -5.838436      2.314786      1.732344
  O      -5.953496      2.819218      0.641926
  C      -5.918614      3.103201      3.062421
  O      -5.508722      2.659392      4.094575
  Cl     -6.578991      4.737074      2.878548
  C      -4.461775     -1.321389      1.976138
  C      -6.830995     -4.199183      4.892445
  C      -7.326500     -5.032883      5.917636
  C      -8.080333     -4.512806      6.967617
  C      -8.336368     -3.148431      7.001310
  F      -9.089119     -2.652214      8.012599
  C      -7.889095     -2.292524      5.985378
  C      -8.134183     -0.839978      5.979946
  O      -8.302911     -0.163823      4.973409
  C      -7.978480     -0.035850      7.284923
  O      -7.315255     -0.370693      8.237146
  C      -8.666779      1.340614      7.225864
  O      -9.843898      1.496191      7.347680
  Cl     -7.501768      2.686220      7.094280
  C      -7.161838     -2.843052      4.918477
  C      -3.475794     -5.689491      6.307278
  C      -3.284646     -4.603131      7.192556
  C      -3.761432     -4.631351      8.496036
  C      -4.460443     -5.751072      8.928130
  F      -4.963917     -5.757441     10.187902
  C      -4.668997     -6.859367      8.096726
  C      -5.466845     -8.016991      8.505025
  O      -5.794612     -8.939181      7.759045
  C      -5.935736     -8.211105      9.951614
  O      -5.258283     -8.751516     10.791469
  C      -7.411311     -7.790344     10.171094
  O      -8.030062     -7.163169      9.360339
  Cl     -8.055712     -8.269442     11.749063
  C      -4.162518     -6.814724      6.783793
  H      -1.126448     -1.948115      1.824653
  H      -1.074654      0.549725      1.601697
  H      -5.424680     -1.822222      2.090416
  H      -7.088455     -6.097196      5.914979
  H      -8.455718     -5.153995      7.765311
  H      -6.810400     -2.178092      4.128875
  H      -2.721026     -3.740483      6.844473
  H      -3.611801     -3.793502      9.176418
  H      -4.360427     -7.676274      6.145501
  N      -4.086762     -2.596714      4.949637
  N      -4.147758     -1.613642      5.524824
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466665673292
  N      -3.294471     -3.464557      2.213073
  C      -3.193950     -4.280207      0.995896
  C      -3.097344     -5.742393      1.396486
  N      -4.044175     -6.031913      2.506840
  C      -5.453223     -6.150427      2.038557
  C      -6.394380     -5.899814      3.205573
  N      -5.946272     -4.689802      3.912233
  Mo     -4.021322     -4.257834      3.875220
  N      -3.001471     -5.589616      4.986086
  C      -2.564140     -6.807984      4.293913
  C      -3.616303     -7.233468      3.277149
  H      -2.368005     -7.624303      5.006068
  H      -1.608993     -6.591943      3.787862
  H      -4.498821     -7.623608      3.800701
  H      -3.249930     -8.020499      2.595176
  H      -7.420082     -5.764892      2.822653
  H      -6.419740     -6.776907      3.879386
  H      -5.609347     -5.377701      1.273099
  H      -5.632088     -7.137123      1.577709
  H      -2.301025     -4.002737      0.408723
  H      -4.068396     -4.095541      0.342570
  H      -2.087072     -5.944699      1.777733
  H      -3.282493     -6.410683      0.537949
  C      -3.275816     -2.063175      1.989469
  C      -2.053609     -1.376913      1.854442
  C      -2.015817      0.011599      1.743221
  C      -3.212500      0.716767      1.761842
  F      -3.166156      2.068858      1.699644
  C      -4.453645      0.071928      1.860842
  C      -5.736602      0.784773      1.910875
  O      -6.826789      0.240957      2.055044
  C      -5.846521      2.304278      1.726363
  O      -5.945660      2.825980      0.642320
  C      -5.947976      3.073087      3.066389
  O      -5.546180      2.617267      4.096443
  Cl     -6.616667      4.705780      2.898452
  C      -4.461661     -1.330094      1.960004
  C      -6.822281     -4.182913      4.900869
  C      -7.321395     -5.008228      5.931335
  C      -8.073365     -4.477582      6.977219
  C      -8.324229     -3.112121      7.002041
  F      -9.075827     -2.607053      8.009707
  C      -7.872303     -2.264045      5.981242
  C      -8.113354     -0.811579      5.965452
  O      -8.260154     -0.139122      4.952630
  C      -7.979221      0.000997      7.267413
  O      -7.309523     -0.317839      8.220590
  C      -8.695645      1.363259      7.201814
  O      -9.878516      1.489015      7.301440
  Cl     -7.560210      2.736453      7.105943
  C      -7.145542     -2.825013      4.918963
  C      -3.466831     -5.703319      6.306141
  C      -3.281221     -4.616542      7.192333
  C      -3.759424     -4.648513      8.495475
  C      -4.452739     -5.772123      8.925944
  F      -4.956201     -5.782128     10.186168
  C      -4.654696     -6.881234      8.093977
  C      -5.445047     -8.043943      8.502080
  O      -5.759472     -8.972400      7.758338
  C      -5.927577     -8.232371      9.945836
  O      -5.263159     -8.778327     10.792137
  C      -7.401527     -7.797410     10.151419
  O      -8.008789     -7.173225      9.329792
  Cl     -8.062218     -8.256997     11.728123
  C      -4.147601     -6.832909      6.781433
  H      -1.121642     -1.944569      1.876891
  H      -1.074445      0.556051      1.669391
  H      -5.425247     -1.834346      2.051468
  H      -7.087596     -6.073446      5.936028
  H      -8.451021     -5.112433      7.778897
  H      -6.789194     -2.166586      4.125954
  H      -2.721436     -3.750760      6.845837
  H      -3.614260     -3.810923      9.177194
  H      -4.341295     -7.694626      6.142133
  N      -4.068608     -2.598542      4.950774
  N      -4.123901     -1.613332      5.522989
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466810445392
  N      -3.291319     -3.470161      2.214152
  C      -3.205698     -4.282428      0.993618
  C      -3.112604     -5.746241      1.390641
  N      -4.051737     -6.033625      2.507934
  C      -5.464389     -6.148493      2.049262
  C      -6.396331     -5.893685      3.222597
  N      -5.940800     -4.682328      3.922645
  Mo     -4.013605     -4.260481      3.878590
  N      -2.994431     -5.597539      4.985612
  C      -2.562905     -6.813860      4.286467
  C      -3.621425     -7.236516      3.274693
  H      -2.363444     -7.633681      4.993781
  H      -1.610899     -6.597732      3.774620
  H      -4.501481     -7.626823      3.802227
  H      -3.259134     -8.022961      2.589904
  H      -7.424656     -5.757356      2.847264
  H      -6.417907     -6.769097      3.898711
  H      -5.623264     -5.376158      1.283940
  H      -5.649749     -7.134782      1.590168
  H      -2.316521     -4.006411      0.400034
  H      -4.084440     -4.092048      0.347675
  H      -2.099915     -5.953781      1.762574
  H      -3.307480     -6.411143      0.531549
  C      -3.272289     -2.067112      1.995034
  C      -2.050613     -1.376189      1.889623
  C      -2.016112      0.013544      1.787923
  C      -3.215802      0.713691      1.786383
  F      -3.172688      2.066239      1.735142
  C      -4.456640      0.063696      1.854215
  C      -5.743340      0.771288      1.882946
  O      -6.834537      0.221375      1.993359
  C      -5.855604      2.292730      1.720964
  O      -5.939678      2.831332      0.643660
  C      -5.977980      3.042441      3.069957
  O      -5.583456      2.575133      4.097631
  Cl     -6.655413      4.673659      2.917469
  C      -4.460826     -1.339126      1.944255
  C      -6.813291     -4.165642      4.909078
  C      -7.315426     -4.982245      5.945292
  C      -8.065307     -4.440667      6.986940
  C      -8.311389     -3.074300      7.002481
  F      -9.061735     -2.560223      8.006413
  C      -7.855465     -2.234332      5.976307
  C      -8.092309     -0.781967      5.950056
  O      -8.216905     -0.113705      4.931056
  C      -7.979725      0.039407      7.248321
  O      -7.304153     -0.263597      8.202686
  C      -8.723213      1.387769      7.175570
  O      -9.910501      1.483545      7.254932
  Cl     -7.617632      2.786771      7.113275
  C      -7.129283     -2.806062      4.918758
  C      -3.457824     -5.717023      6.305500
  C      -3.278067     -4.629618      7.192286
  C      -3.758073     -4.665337      8.495100
  C      -4.445496     -5.792854      8.924004
  F      -4.949090     -5.806335     10.184647
  C      -4.640412     -6.902983      8.091600
  C      -5.422756     -8.071087      8.499444
  O      -5.723550     -9.005627      7.757964
  C      -5.918444     -8.255005      9.940392
  O      -5.265525     -8.804471     10.792950
  C      -7.392101     -7.810989     10.132025
  O      -7.989934     -7.191813      9.299880
  Cl     -8.067395     -8.253321     11.707106
  C      -4.132563     -6.850950      6.779616
  H      -1.117440     -1.940933      1.928462
  H      -1.075912      0.562571      1.737061
  H      -5.424570     -1.846790      2.012456
  H      -7.085721     -6.048252      5.957839
  H      -8.444654     -5.069025      7.792939
  H      -6.768589     -2.154339      4.121979
  H      -2.722247     -3.760599      6.847512
  H      -3.617647     -3.827845      9.177987
  H      -4.321774     -7.712914      6.139383
  N      -4.050171     -2.600050      4.951778
  N      -4.099962     -1.612817      5.521119
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.465986732118
  N      -3.292795     -3.468565      2.216454
  C      -3.210900     -4.281774      0.999814
  C      -3.105124     -5.740250      1.391882
  N      -4.040653     -6.031899      2.512290
  C      -5.454951     -6.145628      2.061870
  C      -6.394418     -5.891378      3.230981
  N      -5.937759     -4.682786      3.933224
  Mo     -4.015386     -4.262075      3.880168
  N      -2.995963     -5.603194      4.976457
  C      -2.549075     -6.817936      4.282468
  C      -3.607834     -7.238690      3.274442
  H      -2.334222     -7.620906      5.003494
  H      -1.600157     -6.582784      3.773799
  H      -4.489289     -7.620121      3.805924
  H      -3.256197     -8.027001      2.586002
  H      -7.420346     -5.763996      2.847273
  H      -6.418355     -6.767163      3.907647
  H      -5.619606     -5.373534      1.297922
  H      -5.634489     -7.137489      1.611668
  H      -2.325607     -4.008276      0.399724
  H      -4.100570     -4.094321      0.367668
  H      -2.092546     -5.939566      1.769101
  H      -3.300174     -6.419486      0.545264
  C      -3.279064     -2.070564      2.000846
  C      -2.054112     -1.369188      1.921127
  C      -2.025176      0.015948      1.812880
  C      -3.227349      0.712214      1.778854
  F      -3.202624      2.065293      1.704544
  C      -4.461936      0.055821      1.830912
  C      -5.752595      0.754035      1.845732
  O      -6.837483      0.191670      1.935944
  C      -5.875499      2.282149      1.683891
  O      -5.964088      2.825244      0.613569
  C      -6.004882      3.001375      3.054134
  O      -5.608257      2.521775      4.076309
  Cl     -6.704095      4.616894      2.930583
  C      -4.463095     -1.344539      1.926212
  C      -6.803295     -4.156131      4.922409
  C      -7.307641     -4.970818      5.955772
  C      -8.052488     -4.438634      7.007606
  C      -8.293004     -3.068479      7.022205
  F      -9.039200     -2.549999      8.027230
  C      -7.832498     -2.228642      5.999359
  C      -8.070762     -0.771957      5.971882
  O      -8.206840     -0.099279      4.959459
  C      -7.958990      0.049979      7.263462
  O      -7.276489     -0.239243      8.219683
  C      -8.698530      1.399118      7.204725
  O      -9.887525      1.505696      7.260360
  Cl     -7.615160      2.807087      7.149603
  C      -7.120639     -2.795168      4.936702
  C      -3.465531     -5.715671      6.294625
  C      -3.284355     -4.640180      7.197099
  C      -3.755750     -4.676285      8.497378
  C      -4.451088     -5.805120      8.921395
  F      -4.957642     -5.831956     10.176261
  C      -4.647750     -6.905569      8.079441
  C      -5.439434     -8.076327      8.472370
  O      -5.729776     -9.007316      7.720876
  C      -5.943123     -8.256550      9.901796
  O      -5.302342     -8.812854     10.762854
  C      -7.402362     -7.776418     10.084266
  O      -7.990339     -7.145962      9.249783
  Cl     -8.083185     -8.210042     11.659869
  C      -4.141872     -6.847866      6.765733
  H      -1.119315     -1.928708      1.983908
  H      -1.083804      0.564871      1.778315
  H      -5.418144     -1.869157      1.992582
  H      -7.081257     -6.038536      5.952886
  H      -8.444094     -5.063080      7.811841
  H      -6.757417     -2.145377      4.141005
  H      -2.721396     -3.775536      6.852709
  H      -3.608255     -3.842219      9.182126
  H      -4.328713     -7.711795      6.128369
  N      -4.046586     -2.606764      4.957275
  N      -4.092096     -1.616703      5.523121
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466376891947
  N      -3.289797     -3.473314      2.218408
  C      -3.221282     -4.284284      0.999544
  C      -3.119545     -5.744216      1.389014
  N      -4.047973     -6.033107      2.515801
  C      -5.465524     -6.143020      2.074363
  C      -6.395719     -5.883945      3.249551
  N      -5.930564     -4.674255      3.945246
  Mo     -4.005931     -4.263879      3.885259
  N      -2.986701     -5.609649      4.978465
  C      -2.547140     -6.822834      4.277408
  C      -3.612975     -7.241021      3.274846
  H      -2.329909     -7.629942      4.993281
  H      -1.601170     -6.589667      3.762486
  H      -4.491586     -7.622342      3.811079
  H      -3.265647     -8.028792      2.583692
  H      -7.424073     -5.753423      2.873430
  H      -6.417484     -6.757965      3.928493
  H      -5.632256     -5.371109      1.310630
  H      -5.651456     -7.134137      1.625237
  H      -2.339371     -4.012590      0.393592
  H      -4.113966     -4.091899      0.373049
  H      -2.104795     -5.949207      1.757157
  H      -3.324173     -6.419913      0.541676
  C      -3.276816     -2.073816      2.005154
  C      -2.053431     -1.369516      1.943657
  C      -2.027852      0.016773      1.843368
  C      -3.231985      0.709005      1.798889
  F      -3.209555      2.062641      1.734656
  C      -4.465492      0.048773      1.830606
  C      -5.758787      0.742775      1.831875
  O      -6.843197      0.176005      1.900134
  C      -5.884044      2.271209      1.685138
  O      -5.962721      2.824586      0.618794
  C      -6.027155      2.980207      3.058731
  O      -5.635349      2.494825      4.079906
  Cl     -6.732217      4.594910      2.942644
  C      -4.462964     -1.352221      1.918399
  C      -6.793363     -4.137836      4.931828
  C      -7.297821     -4.942881      5.973183
  C      -8.041341     -4.398993      7.019819
  C      -8.280155     -3.028784      7.023037
  F      -9.025734     -2.501205      8.023633
  C      -7.818854     -2.197903      5.992589
  C      -8.054301     -0.741557      5.953189
  O      -8.169544     -0.075172      4.933407
  C      -7.964285      0.090677      7.239602
  O      -7.279835     -0.183275      8.199169
  C      -8.726340      1.428291      7.168309
  O      -9.917714      1.514089      7.201798
  Cl     -7.664885      2.854063      7.135507
  C      -7.106947     -2.775849      4.935103
  C      -3.456063     -5.728703      6.295948
  C      -3.283517     -4.652261      7.198567
  C      -3.758394     -4.693235      8.498363
  C      -4.447132     -5.826633      8.919418
  F      -4.956092     -5.857251     10.173817
  C      -4.634496     -6.928200      8.076364
  C      -5.418016     -8.104743      8.467582
  O      -5.697015     -9.039669      7.717236
  C      -5.931492     -8.284976      9.895027
  O      -5.295463     -8.838368     10.760948
  C      -7.395122     -7.811874     10.065962
  O      -7.980723     -7.189147      9.224248
  Cl     -8.084604     -8.240114     11.638686
  C      -4.126127     -6.866007      6.764273
  H      -1.118190     -1.927193      2.015065
  H      -1.088252      0.569352      1.822931
  H      -5.417907     -1.878851      1.967962
  H      -7.073726     -6.010989      5.980491
  H      -8.432699     -5.016479      7.829651
  H      -6.743377     -2.133288      4.133342
  H      -2.725185     -3.783467      6.857330
  H      -3.617658     -3.859018      9.184393
  H      -4.306791     -7.730059      6.125404
  N      -4.027296     -2.606871      4.959353
  N      -4.068296     -1.615550      5.523224
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.466824701913
  N      -3.284253     -3.479507      2.218918
  C      -3.230592     -4.288153      0.997992
  C      -3.132827     -5.749489      1.384897
  N      -4.053435     -6.035469      2.518577
  C      -5.474321     -6.142375      2.087189
  C      -6.394362     -5.878685      3.269006
  N      -5.921583     -4.666691      3.956410
  Mo     -3.994658     -4.266235      3.888811
  N      -2.975078     -5.615593      4.979423
  C      -2.542810     -6.827408      4.271841
  C      -3.615470     -7.243859      3.274994
  H      -2.323454     -7.638190      4.983093
  H      -1.599767     -6.596509      3.750671
  H      -4.490857     -7.625728      3.816109
  H      -3.271826     -8.030983      2.581343
  H      -7.425712     -5.746973      2.901579
  H      -6.411907     -6.750430      3.950919
  H      -5.644182     -5.371035      1.323488
  H      -5.666440     -7.133021      1.639704
  H      -2.352420     -4.018544      0.385607
  H      -4.126692     -4.090728      0.377843
  H      -2.115804     -5.960281      1.743256
  H      -3.347739     -6.421793      0.537265
  C      -3.275107     -2.078280      2.008959
  C      -2.055181     -1.367630      1.973983
  C      -2.036268      0.019857      1.884535
  C      -3.243513      0.704986      1.824186
  F      -3.227023      2.059320      1.773590
  C      -4.473917      0.037873      1.826949
  C      -5.770861      0.725264      1.810018
  O      -6.853648      0.152073      1.846913
  C      -5.900310      2.254666      1.688131
  O      -5.970281      2.825237      0.629829
  C      -6.056362      2.944546      3.069507
  O      -5.667917      2.447616      4.086261
  Cl     -6.769940      4.557764      2.971896
  C      -4.464583     -1.364000      1.904126
  C      -6.782330     -4.119459      4.939067
  C      -7.291135     -4.914403      5.986690
  C      -8.034942     -4.358319      7.026581
  C      -8.268896     -2.987672      7.019143
  F      -9.014577     -2.449689      8.013967
  C      -7.802321     -2.166040      5.983030
  C      -8.029255     -0.709238      5.934068
  O      -8.119186     -0.045726      4.909236
  C      -7.957667      0.130095      7.216399
  O      -7.267306     -0.129268      8.175564
  C      -8.746335      1.453058      7.137819
  O      -9.940286      1.500299      7.159114
  Cl     -7.719577      2.904298      7.139756
  C      -7.089388     -2.756092      4.931970
  C      -3.444388     -5.741275      6.296279
  C      -3.277160     -4.665394      7.200243
  C      -3.755011     -4.711490      8.499960
  C      -4.440512     -5.848039      8.917036
  F      -4.952230     -5.882331     10.170905
  C      -4.622101     -6.949094      8.071520
  C      -5.402024     -8.129811      8.458106
  O      -5.672010     -9.065773      7.706592
  C      -5.929334     -8.309351      9.882470
  O      -5.307525     -8.874609     10.750454
  C      -7.388679     -7.818391     10.045071
  O      -7.963107     -7.193672      9.197782
  Cl     -8.090941     -8.231392     11.615494
  C      -4.111305     -6.882093      6.761365
  H      -1.118568     -1.921069      2.058367
  H      -1.099949      0.578295      1.884465
  H      -5.418114     -1.894889      1.930003
  H      -7.071630     -5.983291      6.004254
  H      -8.429462     -4.968780      7.840297
  H      -6.721587     -2.120730      4.126523
  H      -2.721399     -3.793420      6.862879
  H      -3.618426     -3.878141      9.187939
  H      -4.289123     -7.744845      6.120101
  N      -4.005385     -2.607606      4.959767
  N      -4.041087     -1.614552      5.521323
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.467110059145
  N      -3.280027     -3.485119      2.220483
  C      -3.240691     -4.290977      0.997360
  C      -3.146366     -5.753609      1.381159
  N      -4.059246     -6.037353      2.521592
  C      -5.483444     -6.140463      2.100100
  C      -6.393929     -5.872175      3.288111
  N      -5.912953     -4.658881      3.968259
  Mo     -3.983920     -4.269265      3.893298
  N      -2.964248     -5.623456      4.979823
  C      -2.539103     -6.833702      4.265472
  C      -3.618843     -7.247119      3.274402
  H      -2.317022     -7.647819      4.972198
  H      -1.599147     -6.604086      3.738290
  H      -4.491325     -7.628702      3.820380
  H      -3.280075     -8.033600      2.577689
  H      -7.427781     -5.738538      2.928506
  H      -6.408313     -6.741971      3.972575
  H      -5.656096     -5.369279      1.336832
  H      -5.681716     -7.130607      1.654252
  H      -2.366319     -4.023235      0.378679
  H      -4.140441     -4.088506      0.384069
  H      -2.127289     -5.969794      1.730309
  H      -3.371146     -6.422859      0.533582
  C      -3.273750     -2.082459      2.014564
  C      -2.057524     -1.365607      2.005946
  C      -2.045228      0.022836      1.926712
  C      -3.255202      0.701295      1.850145
  F      -3.245125      2.056138      1.811425
  C      -4.481912      0.027683      1.825146
  C      -5.782428      0.708268      1.790750
  O      -6.862384      0.128464      1.798576
  C      -5.917413      2.238315      1.689927
  O      -5.979902      2.823115      0.638674
  C      -6.086436      2.911308      3.077859
  O      -5.701253      2.404856      4.091047
  Cl     -6.808795      4.522138      2.995187
  C      -4.465731     -1.374791      1.892395
  C      -6.770721     -4.100766      4.947659
  C      -7.281909     -4.885292      6.002300
  C      -8.024629     -4.317443      7.036544
  C      -8.254621     -2.946426      7.017817
  F      -8.999347     -2.398227      8.007623
  C      -7.784403     -2.134303      5.975362
  C      -8.004864     -0.677304      5.915486
  O      -8.071357     -0.018583      4.885304
  C      -7.953765      0.171013      7.192144
  O      -7.260201     -0.072820      8.153519
  C      -8.764876      1.481282      7.103804
  O      -9.959746      1.504949      7.101586
  Cl     -7.766165      2.951395      7.134592
  C      -7.072079     -2.736173      4.930031
  C      -3.433256     -5.755075      6.296018
  C      -3.272545     -4.679365      7.201114
  C      -3.753053     -4.729750      8.500285
  C      -4.434344     -5.869688      8.914110
  F      -4.948323     -5.907868     10.167357
  C      -4.609043     -6.970724      8.066848
  C      -5.384306     -8.155520      8.450406
  O      -5.643530     -9.094512      7.699386
  C      -5.924847     -8.332486      9.871203
  O      -5.314042     -8.901202     10.744364
  C      -7.383810     -7.834825     10.020828
  O      -7.949733     -7.213313      9.165594
  Cl     -8.099284     -8.235712     11.587924
  C      -4.095665     -6.899855      6.758289
  H      -1.119858     -1.915014      2.103366
  H      -1.112430      0.586748      1.946821
  H      -5.417000     -1.910348      1.896440
  H      -7.065993     -5.954698      6.029738
  H      -8.420981     -4.920276      7.855130
  H      -6.701755     -2.108456      4.119646
  H      -2.720045     -3.804234      6.866689
  H      -3.621213     -3.896830      9.189724
  H      -4.269295     -7.762229      6.115438
  N      -3.984233     -2.609611      4.961873
  N      -4.015573     -1.615188      5.521284
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.467420256588
  N      -3.274147     -3.491220      2.221302
  C      -3.249815     -4.294402      0.996086
  C      -3.159177     -5.758315      1.377147
  N      -4.064164     -6.039536      2.524486
  C      -5.491635     -6.139093      2.113011
  C      -6.392222     -5.865805      3.307255
  N      -5.903293     -4.650810      3.979451
  Mo     -3.972121     -4.272116      3.897110
  N      -2.952462     -5.630683      4.979997
  C      -2.534403     -6.839517      4.259175
  C      -3.621194     -7.250373      3.274073
  H      -2.309531     -7.656850      4.961450
  H      -1.597650     -6.611243      3.725827
  H      -4.490664     -7.631773      3.824964
  H      -3.287118     -8.036339      2.574577
  H      -7.428671     -5.730657      2.955775
  H      -6.402965     -6.733288      3.994675
  H      -5.667208     -5.368354      1.349917
  H      -5.696145     -7.128827      1.669144
  H      -2.379389     -4.028865      0.370865
  H      -4.153216     -4.086888      0.389816
  H      -2.138147     -5.979994      1.716943
  H      -3.394069     -6.424544      0.529852
  C      -3.272734     -2.087118      2.019524
  C      -2.061983     -1.362217      2.040543
  C      -2.058315      0.027087      1.972618
  C      -3.271400      0.697088      1.877822
  F      -3.269972      2.052339      1.852202
  C      -4.492714      0.015382      1.821952
  C      -5.796970      0.687960      1.769435
  O      -6.872918      0.101013      1.745422
  C      -5.938465      2.218457      1.694557
  O      -5.997490      2.820430      0.652537
  C      -6.115235      2.870690      3.090987
  O      -5.730134      2.352015      4.097867
  Cl     -6.846667      4.479151      3.029898
  C      -4.467705     -1.387655      1.877812
  C      -6.758629     -4.081562      4.954753
  C      -7.274123     -4.855734      6.015344
  C      -8.017195     -4.276272      7.042783
  C      -8.242690     -2.904960      7.012911
  F      -8.987211     -2.346343      7.996906
  C      -7.766775     -2.102370      5.965283
  C      -7.978783     -0.645050      5.895649
  O      -8.021594      0.010234      4.861575
  C      -7.945490      0.210601      7.167071
  O      -7.247826     -0.018982      8.128863
  C      -8.778538      1.507399      7.070790
  O      -9.973427      1.505884      7.044100
  Cl     -7.810070      2.996053      7.137419
  C      -7.053567     -2.715911      4.926860
  C      -3.421292     -5.767967      6.295596
  C      -3.265040     -4.693254      7.202393
  C      -3.748036     -4.748042      8.501145
  C      -4.426850     -5.890479      8.911181
  F      -4.942599     -5.932498     10.164072
  C      -4.597015     -6.990558      8.061468
  C      -5.369636     -8.178395      8.441290
  O      -5.619967     -9.119119      7.689969
  C      -5.923406     -8.352797      9.858551
  O      -5.325586     -8.929092     10.735327
  C      -7.379557     -7.842448      9.997237
  O      -7.935451     -7.221860      9.134982
  Cl     -8.107967     -8.228576     11.561659
  C      -4.081275     -6.915801      6.754461
  H      -1.122923     -1.906320      2.152651
  H      -1.130353      0.597642      2.015337
  H      -5.415616     -1.928787      1.857713
  H      -7.062131     -5.925622      6.053015
  H      -8.416522     -4.871590      7.865399
  H      -6.679126     -2.095523      4.112920
  H      -2.714641     -3.815549      6.871296
  H      -3.619344     -3.916212      9.192524
  H      -4.252472     -7.777010      6.109430
  N      -3.961685     -2.611253      4.963208
  N      -3.988844     -1.615290      5.520213
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.467693497691
  N      -3.267731     -3.497130      2.222300
  C      -3.258548     -4.297243      0.994808
  C      -3.171487     -5.762533      1.372880
  N      -4.068712     -6.041597      2.526889
  C      -5.499343     -6.137376      2.125129
  C      -6.390210     -5.859184      3.325399
  N      -5.893342     -4.642945      3.990209
  Mo     -3.960162     -4.275291      3.900912
  N      -2.941015     -5.638874      4.979789
  C      -2.530028     -6.846127      4.252388
  C      -3.623626     -7.253836      3.272935
  H      -2.302409     -7.666785      4.950042
  H      -1.596452     -6.618764      3.713188
  H      -4.490373     -7.634929      3.828303
  H      -3.294402     -8.039280      2.570609
  H      -7.429044     -5.722160      2.981770
  H      -6.397642     -6.724528      4.015518
  H      -5.677624     -5.367012      1.362254
  H      -5.710128     -7.126650      1.683254
  H      -2.392194     -4.033811      0.363042
  H      -4.165692     -4.084601      0.395917
  H      -2.148668     -5.989603      1.703539
  H      -3.416217     -6.425579      0.525805
  C      -3.271294     -2.091607      2.025339
  C      -2.066799     -1.358697      2.075292
  C      -2.072206      0.031372      2.018412
  C      -3.288208      0.692928      1.905909
  F      -3.295895      2.048373      1.892491
  C      -4.503455      0.003139      1.820438
  C      -5.811513      0.667351      1.751036
  O      -6.882413      0.073131      1.696692
  C      -5.960944      2.197828      1.701674
  O      -6.019506      2.816243      0.668998
  C      -6.142966      2.829661      3.106461
  O      -5.756266      2.299186      4.106413
  Cl     -6.884242      4.435096      3.067349
  C      -4.469005     -1.400224      1.865077
  C      -6.746251     -4.062845      4.961330
  C      -7.265885     -4.826850      6.027587
  C      -8.009195     -4.236124      7.048320
  C      -8.230343     -2.864604      7.007506
  F      -8.974770     -2.296028      7.985737
  C      -7.748980     -2.071434      5.954877
  C      -7.953549     -0.614055      5.874985
  O      -7.973021      0.036717      4.836968
  C      -7.938572      0.249864      7.140582
  O      -7.237370      0.035036      8.103433
  C      -8.791931      1.533616      7.035176
  O      -9.985754      1.510259      6.981878
  Cl     -7.852330      3.038460      7.137544
  C      -7.034990     -2.696266      4.923159
  C      -3.409882     -5.781457      6.294553
  C      -3.257453     -4.707716      7.203013
  C      -3.742801     -4.766371      8.501267
  C      -4.419488     -5.910939      8.907862
  F      -4.936912     -5.956306     10.160432
  C      -4.585726     -7.010107      8.055983
  C      -5.356369     -8.200270      8.432637
  O      -5.599027     -9.142575      7.681222
  C      -5.922171     -8.371732      9.846605
  O      -5.337125     -8.956097     10.726283
  C      -7.374502     -7.846892      9.975882
  O      -7.920086     -7.225980      9.107461
  Cl     -8.115008     -8.218050     11.537943
  C      -4.067692     -6.932079      6.750355
  H      -1.126436     -1.897370      2.201481
  H      -1.149618      0.608498      2.083092
  H      -5.413001     -1.946859      1.822344
  H      -7.057617     -5.897075      6.075263
  H      -8.411419     -4.823991      7.874825
  H      -6.656773     -2.083120      4.105491
  H      -2.708866     -3.827735      6.874894
  H      -3.616861     -3.935585      9.194448
  H      -4.236718     -7.792264      6.103384
  N      -3.939155     -2.613658      4.965270
  N      -3.961951     -1.616240      5.519887
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468269168075
  N      -3.257136     -3.504727      2.217588
  C      -3.264516     -4.304444      0.987685
  C      -3.177048     -5.771465      1.368032
  N      -4.066121     -6.048568      2.529847
  C      -5.500274     -6.144600      2.137499
  C      -6.378906     -5.859727      3.345376
  N      -5.875858     -4.640961      4.001135
  Mo     -3.940929     -4.279457      3.901878
  N      -2.918775     -5.644038      4.978139
  C      -2.516070     -6.851663      4.246151
  C      -3.617580     -7.259851      3.274386
  H      -2.285836     -7.676116      4.938774
  H      -1.586386     -6.627125      3.698918
  H      -4.480530     -7.640698      3.835933
  H      -3.293377     -8.046083      2.570822
  H      -7.420766     -5.720756      3.011243
  H      -6.381394     -6.721664      4.039448
  H      -5.682871     -5.377148      1.372630
  H      -5.717834     -7.133994      1.699574
  H      -2.404908     -4.041687      0.346348
  H      -4.176430     -4.091418      0.396562
  H      -2.151952     -5.999746      1.690516
  H      -3.428036     -6.432594      0.520945
  C      -3.274214     -2.096366      2.025777
  C      -2.080039     -1.352434      2.100815
  C      -2.098408      0.039326      2.054522
  C      -3.319359      0.688686      1.929000
  F      -3.337125      2.043742      1.929460
  C      -4.527924     -0.012382      1.820214
  C      -5.842188      0.641634      1.743903
  O      -6.908640      0.039938      1.676944
  C      -5.999153      2.171203      1.726615
  O      -6.082990      2.808305      0.705881
  C      -6.158698      2.783217      3.141329
  O      -5.758535      2.236539      4.126451
  Cl     -6.908208      4.388447      3.138816
  C      -4.478947     -1.416279      1.852609
  C      -6.726563     -4.052466      4.967375
  C      -7.252526     -4.808716      6.037190
  C      -7.996495     -4.207466      7.050416
  C      -8.211781     -2.836512      7.002801
  F      -8.953338     -2.259082      7.977983
  C      -7.724718     -2.051667      5.946674
  C      -7.921210     -0.595938      5.861154
  O      -7.926781      0.051144      4.819988
  C      -7.910818      0.272392      7.125534
  O      -7.203861      0.067975      8.083910
  C      -8.778497      1.541669      7.014110
  O      -9.969887      1.497951      6.928247
  Cl     -7.860134      3.056785      7.161806
  C      -7.008093     -2.685812      4.920258
  C      -3.388611     -5.788894      6.291994
  C      -3.240035     -4.712834      7.200608
  C      -3.759814     -4.761715      8.487527
  C      -4.436182     -5.906509      8.891227
  F      -4.971474     -5.944389     10.138120
  C      -4.584442     -7.012899      8.044700
  C      -5.354645     -8.203514      8.419363
  O      -5.584717     -9.150415      7.670292
  C      -5.944089     -8.364933      9.827995
  O      -5.383481     -8.964136     10.712275
  C      -7.393283     -7.823666      9.937131
  O      -7.915162     -7.194741      9.061338
  Cl     -8.156787     -8.163610     11.495576
  C      -4.050919     -6.939870      6.745351
  H      -1.136395     -1.882867      2.237599
  H      -1.183329      0.625739      2.138173
  H      -5.418628     -1.968649      1.793483
  H      -7.048411     -5.878981      6.095762
  H      -8.400216     -4.789361      7.879216
  H      -6.625793     -2.077570      4.100458
  H      -2.691940     -3.829553      6.874961
  H      -3.648139     -3.925791      9.177749
  H      -4.216970     -7.800467      6.097385
  N      -3.910955     -2.615753      4.963976
  N      -3.928280     -1.618208      5.517948
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468162483233
  N      -3.246636     -3.511780      2.210937
  C      -3.270549     -4.312092      0.979813
  C      -3.179306     -5.780225      1.364332
  N      -4.060093     -6.056321      2.533461
  C      -5.497508     -6.154478      2.150226
  C      -6.363703     -5.863604      3.365699
  N      -5.855568     -4.642227      4.012724
  Mo     -3.919104     -4.283777      3.902304
  N      -2.891920     -5.647966      4.976039
  C      -2.497692     -6.856477      4.240733
  C      -3.606944     -7.265940      3.276655
  H      -2.265879     -7.684921      4.928371
  H      -1.571820     -6.635739      3.685574
  H      -4.465644     -7.646897      3.844616
  H      -3.287426     -8.053181      2.572268
  H      -7.408545     -5.722509      3.041278
  H      -6.360758     -6.722350      4.063353
  H      -5.685158     -5.390717      1.382853
  H      -5.720952     -7.144218      1.716628
  H      -2.419373     -4.048591      0.327638
  H      -4.188201     -4.101620      0.397168
  H      -2.151598     -6.006707      1.679443
  H      -3.434084     -6.440024      0.517047
  C      -3.280008     -2.100630      2.024836
  C      -2.097301     -1.345108      2.119578
  C      -2.130410      0.048376      2.083305
  C      -3.357354      0.683905      1.949444
  F      -3.386144      2.038408      1.960304
  C      -4.558656     -0.029637      1.822784
  C      -5.880057      0.612808      1.745754
  O      -6.940207      0.003101      1.653478
  C      -6.044990      2.140550      1.753803
  O      -6.147386      2.792991      0.742985
  C      -6.170425      2.741101      3.175424
  O      -5.751824      2.182407      4.145305
  Cl     -6.921862      4.348838      3.205957
  C      -4.493148     -1.433521      1.843118
  C      -6.704039     -4.047514      4.975216
  C      -7.236186     -4.798014      6.047402
  C      -7.978966     -4.187232      7.054804
  C      -8.187380     -2.816647      7.003581
  F      -8.925751     -2.232029      7.976918
  C      -7.696298     -2.038628      5.944352
  C      -7.886657     -0.584820      5.855515
  O      -7.886752      0.058211      4.811170
  C      -7.873686      0.287352      7.120560
  O      -7.160321      0.090316      8.073706
  C      -8.752142      1.544624      7.003142
  O      -9.940573      1.486491      6.890413
  Cl     -7.848108      3.064648      7.201293
  C      -6.978304     -2.680618      4.921006
  C      -3.364386     -5.792882      6.288328
  C      -3.220233     -4.712712      7.195354
  C      -3.780487     -4.747978      8.467440
  C      -4.461542     -5.889760      8.867682
  F      -5.020928     -5.915314     10.106097
  C      -4.591062     -7.005067      8.029227
  C      -5.364795     -8.192712      8.403381
  O      -5.578376     -9.148741      7.661837
  C      -5.978260     -8.340633      9.806972
  O      -5.429631     -8.926138     10.706425
  C      -7.417199     -7.765874      9.902257
  O      -7.943461     -7.199754      8.988346
  Cl     -8.230445     -8.135006     11.428989
  C      -4.034500     -6.942269      6.739555
  H      -1.149460     -1.866197      2.263433
  H      -1.223665      0.645127      2.181607
  H      -5.428469     -1.991756      1.771661
  H      -7.037632     -5.868481      6.115136
  H      -8.384219     -4.765221      7.884855
  H      -6.593662     -2.076068      4.099075
  H      -2.667808     -3.829476      6.873205
  H      -3.683314     -3.905969      9.153105
  H      -4.195391     -7.804566      6.092168
  N      -3.880751     -2.617603      4.962272
  N      -3.892283     -1.620600      5.516694
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468664185205
  N      -3.239270     -3.516261      2.210533
  C      -3.276467     -4.313030      0.978387
  C      -3.184612     -5.781755      1.359865
  N      -4.059141     -6.058504      2.532985
  C      -5.498396     -6.155036      2.156765
  C      -6.357552     -5.862113      3.376315
  N      -5.844319     -4.639915      4.018357
  Mo     -3.906403     -4.288219      3.903912
  N      -2.879030     -5.656682      4.974141
  C      -2.489930     -6.863231      4.233549
  C      -3.603277     -7.269559      3.272235
  H      -2.257370     -7.695075      4.916919
  H      -1.566039     -6.643112      3.675206
  H      -4.459805     -7.651638      3.842559
  H      -3.286379     -8.055502      2.565198
  H      -7.403972     -5.719568      3.057848
  H      -6.351629     -6.719812      4.075236
  H      -5.688666     -5.391673      1.389679
  H      -5.725158     -7.144487      1.724411
  H      -2.430618     -4.049157      0.319647
  H      -4.198598     -4.100166      0.403677
  H      -2.155277     -6.009934      1.668272
  H      -3.444982     -6.438664      0.512116
  C      -3.280128     -2.104210      2.030928
  C      -2.105808     -1.340075      2.151066
  C      -2.150287      0.053422      2.126106
  C      -3.380438      0.679022      1.979158
  F      -3.420732      2.033344      1.998688
  C      -4.573489     -0.043293      1.827838
  C      -5.898812      0.589728      1.741045
  O      -6.950585     -0.026438      1.608774
  C      -6.073201      2.115896      1.774888
  O      -6.177178      2.783826      0.774197
  C      -6.186992      2.698304      3.205280
  O      -5.759159      2.128746      4.164796
  Cl     -6.938103      4.306112      3.262088
  C      -4.496229     -1.446558      1.835218
  C      -6.692268     -4.037661      4.976768
  C      -7.230417     -4.781486      6.050898
  C      -7.973254     -4.162358      7.053149
  C      -8.175882     -2.791091      6.995502
  F      -8.915759     -2.199441      7.963380
  C      -7.679209     -2.019655      5.933707
  C      -7.864669     -0.565889      5.837536
  O      -7.851375      0.072330      4.790173
  C      -7.864424      0.313536      7.097725
  O      -7.148124      0.127739      8.052411
  C      -8.758045      1.561864      6.970772
  O      -9.942300      1.492172      6.826737
  Cl     -7.877566      3.089734      7.216148
  C      -6.960412     -2.669651      4.915575
  C      -3.355464     -5.805329      6.284153
  C      -3.216538     -4.725240      7.191723
  C      -3.783167     -4.761840      8.461208
  C      -4.468201     -5.902570      8.855860
  F      -5.036187     -5.927854     10.090718
  C      -4.593798     -7.017393      8.016172
  C      -5.369494     -8.204825      8.386971
  O      -5.574133     -9.164231      7.647702
  C      -5.986850     -8.351296      9.789999
  O      -5.448343     -8.950857     10.686194
  C      -7.419726     -7.760284      9.885529
  O      -7.917420     -7.135577      8.993687
  Cl     -8.200223     -8.034723     11.448540
  C      -4.027197     -6.955326      6.731292
  H      -1.156252     -1.854715      2.305743
  H      -1.250528      0.657306      2.242728
  H      -5.426443     -2.010618      1.744559
  H      -7.037490     -5.852553      6.124603
  H      -8.383852     -4.736128      7.884260
  H      -6.572334     -2.070079      4.091465
  H      -2.659608     -3.844077      6.875060
  H      -3.688063     -3.920974      9.148284
  H      -4.182535     -7.817780      6.083379
  N      -3.860948     -2.621802      4.963659
  N      -3.868828     -1.624395      5.517563
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468694154240
  N      -3.240012     -3.520225      2.210093
  C      -3.292937     -4.315039      0.978693
  C      -3.198695     -5.783330      1.357007
  N      -4.062626     -6.059556      2.537266
  C      -5.504509     -6.156190      2.173041
  C      -6.354818     -5.860765      3.397637
  N      -5.836149     -4.635952      4.031154
  Mo     -3.897729     -4.289659      3.907800
  N      -2.867288     -5.660859      4.973549
  C      -2.482268     -6.865884      4.228868
  C      -3.600542     -7.271114      3.272753
  H      -2.245735     -7.698379      4.910140
  H      -1.561424     -6.644804      3.666069
  H      -4.453494     -7.654799      3.847288
  H      -3.286529     -8.055840      2.563022
  H      -7.403707     -5.720080      3.087064
  H      -6.342815     -6.716316      4.099234
  H      -5.700671     -5.394221      1.406091
  H      -5.733535     -7.146814      1.744391
  H      -2.453747     -4.052183      0.311114
  H      -4.221397     -4.099826      0.414759
  H      -2.166686     -6.012773      1.655440
  H      -3.468251     -6.439571      0.511709
  C      -3.282184     -2.108332      2.033232
  C      -2.110553     -1.341484      2.168773
  C      -2.157997      0.051129      2.146927
  C      -3.387687      0.673980      1.988026
  F      -3.432094      2.028524      2.006257
  C      -4.577035     -0.050396      1.823468
  C      -5.901814      0.581060      1.721582
  O      -6.952058     -0.038400      1.594249
  C      -6.079075      2.106744      1.786219
  O      -6.215740      2.786520      0.798211
  C      -6.197316      2.663510      3.227064
  O      -5.766146      2.082155      4.178125
  Cl     -6.955262      4.266041      3.309428
  C      -4.497436     -1.453513      1.827600
  C      -6.681700     -4.025676      4.987712
  C      -7.219736     -4.761649      6.066930
  C      -7.960407     -4.135212      7.066667
  C      -8.161918     -2.763780      6.999300
  F      -8.900781     -2.164643      7.963294
  C      -7.665339     -1.999818      5.931852
  C      -7.853013     -0.546649      5.823695
  O      -7.833765      0.083719      4.771894
  C      -7.866727      0.344113      7.074065
  O      -7.146369      0.175356      8.030081
  C      -8.777974      1.582525      6.936301
  O      -9.956177      1.501071      6.755651
  Cl     -7.924162      3.122430      7.201596
  C      -6.947888     -2.657344      4.918410
  C      -3.343450     -5.811222      6.283598
  C      -3.204266     -4.731338      7.189986
  C      -3.757446     -4.771627      8.464826
  C      -4.446341     -5.910390      8.858764
  F      -5.010494     -5.936517     10.094950
  C      -4.578916     -7.022912      8.016978
  C      -5.357900     -8.209127      8.386843
  O      -5.574834     -9.162099      7.642703
  C      -5.990914     -8.344517      9.783420
  O      -5.487252     -8.984611     10.672145
  C      -7.429740     -7.765325      9.848824
  O      -7.913194     -7.139473      8.949185
  Cl     -8.254731     -8.085074     11.379339
  C      -4.014134     -6.960783      6.731395
  H      -1.161548     -1.854675      2.330905
  H      -1.260602      0.656766      2.272548
  H      -5.425040     -2.019645      1.723784
  H      -7.029085     -5.832815      6.146094
  H      -8.371709     -4.703434      7.901715
  H      -6.560131     -2.063931      4.089789
  H      -2.643820     -3.853149      6.874106
  H      -3.655687     -3.933015      9.153341
  H      -4.168524     -7.824017      6.084631
  N      -3.843131     -2.621667      4.964769
  N      -3.848553     -1.621488      5.513986
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468889441385
  N      -3.240035     -3.519949      2.209814
  C      -3.296899     -4.313473      0.977670
  C      -3.199413     -5.782093      1.354349
  N      -4.060534     -6.060882      2.536094
  C      -5.503084     -6.159789      2.174708
  C      -6.351026     -5.865636      3.401211
  N      -5.832755     -4.639958      4.033596
  Mo     -3.894336     -4.291699      3.908285
  N      -2.861855     -5.663745      4.971713
  C      -2.476842     -6.867676      4.225353
  C      -3.595416     -7.272785      3.269276
  H      -2.239941     -7.701243      4.905283
  H      -1.556279     -6.645738      3.662366
  H      -4.447203     -7.658960      3.843904
  H      -3.280711     -8.055837      2.558053
  H      -7.400823     -5.726183      3.093196
  H      -6.336210     -6.721123      4.102795
  H      -5.702040     -5.398274      1.408043
  H      -5.731396     -7.150764      1.746457
  H      -2.460696     -4.048956      0.306908
  H      -4.227703     -4.099139      0.417217
  H      -2.166367     -6.009839      1.650563
  H      -3.469271     -6.437713      0.508582
  C      -3.284345     -2.107535      2.035732
  C      -2.113273     -1.340331      2.173437
  C      -2.161371      0.052346      2.152821
  C      -3.391359      0.674604      1.993156
  F      -3.435982      2.029226      2.011312
  C      -4.580544     -0.050238      1.828269
  C      -5.906003      0.580581      1.726640
  O      -6.954791     -0.039486      1.591205
  C      -6.083595      2.106456      1.793021
  O      -6.221690      2.787021      0.805694
  C      -6.183710      2.665586      3.234422
  O      -5.748570      2.082149      4.182303
  Cl     -6.933803      4.271623      3.322363
  C      -4.500085     -1.453272      1.830626
  C      -6.678798     -4.030131      4.990206
  C      -7.217331     -4.766305      6.069047
  C      -7.957434     -4.139744      7.069145
  C      -8.158975     -2.768430      7.002001
  F      -8.896974     -2.169020      7.966565
  C      -7.663544     -2.004651      5.933994
  C      -7.857025     -0.552516      5.823187
  O      -7.845027      0.074221      4.769231
  C      -7.870673      0.341989      7.071554
  O      -7.149693      0.178526      8.027363
  C      -8.785619      1.577136      6.928191
  O      -9.961411      1.492027      6.735476
  Cl     -7.939196      3.117813      7.215417
  C      -6.945247     -2.661881      4.920662
  C      -3.341174     -5.815473      6.280633
  C      -3.204010     -4.735786      7.187839
  C      -3.764382     -4.774850      8.459725
  C      -4.455854     -5.913033      8.850704
  F      -5.025879     -5.938406     10.084373
  C      -4.584777     -7.026092      8.008997
  C      -5.365617     -8.211583      8.376883
  O      -5.577374     -9.166622      7.634118
  C      -6.002021     -8.346491      9.772434
  O      -5.490224     -8.966267     10.670947
  C      -7.426753     -7.734533      9.848451
  O      -7.909296     -7.112744      8.945550
  Cl     -8.235222     -8.008415     11.396448
  C      -4.014278     -6.964710      6.725902
  H      -1.164095     -1.853280      2.335426
  H      -1.264396      0.658438      2.279268
  H      -5.427476     -2.019428      1.725321
  H      -7.027436     -5.837549      6.148042
  H      -8.368396     -4.708294      7.903828
  H      -6.557981     -2.068387      4.091700
  H      -2.640521     -3.858197      6.874467
  H      -3.665152     -3.936011      9.148462
  H      -4.165505     -7.828367      6.078715
  N      -3.838276     -2.624625      4.967358
  N      -3.842358     -1.623893      5.515348
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468962583067
  N      -3.242455     -3.519346      2.208364
  C      -3.309026     -4.313168      0.976723
  C      -3.205351     -5.781505      1.353431
  N      -4.060180     -6.062087      2.539417
  C      -5.504391     -6.165106      2.185192
  C      -6.346431     -5.869741      3.415407
  N      -5.827571     -4.641362      4.042095
  Mo     -3.889175     -4.291334      3.910601
  N      -2.852949     -5.663685      4.971201
  C      -2.469142     -6.867251      4.223996
  C      -3.589526     -7.273435      3.270258
  H      -2.230684     -7.701000      4.903321
  H      -1.549743     -6.644654      3.659301
  H      -4.438914     -7.662348      3.846564
  H      -3.274892     -8.055062      2.557514
  H      -7.398183     -5.733143      3.112954
  H      -6.325838     -6.723204      4.119276
  H      -5.709082     -5.406220      1.417478
  H      -5.732221     -7.157792      1.760675
  H      -2.479414     -4.047707      0.298113
  H      -4.245119     -4.101507      0.424100
  H      -2.170234     -6.005554      1.645389
  H      -3.476799     -6.438218      0.508984
  C      -3.290369     -2.106547      2.036817
  C      -2.119962     -1.338894      2.178566
  C      -2.168299      0.053784      2.158132
  C      -3.398374      0.675447      1.995683
  F      -3.443080      2.030331      2.010531
  C      -4.587318     -0.049892      1.830557
  C      -5.913938      0.580030      1.732301
  O      -6.957786     -0.039574      1.563539
  C      -6.090549      2.106864      1.798482
  O      -6.229622      2.787380      0.811216
  C      -6.151408      2.672478      3.239924
  O      -5.707756      2.085913      4.181806
  Cl     -6.882638      4.286512      3.336611
  C      -4.506162     -1.452715      1.830588
  C      -6.673433     -4.028944      4.997214
  C      -7.214098     -4.762328      6.076706
  C      -7.953376     -4.132819      7.075607
  C      -8.153293     -2.761588      7.005348
  F      -8.889594     -2.158478      7.969123
  C      -7.658210     -2.001317      5.935072
  C      -7.861290     -0.551176      5.815756
  O      -7.862065      0.066934      4.756904
  C      -7.872540      0.352522      7.058639
  O      -7.149923      0.200710      8.013625
  C      -8.793756      1.581134      6.902399
  O      -9.964317      1.491020      6.684174
  Cl     -7.963794      3.122375      7.236402
  C      -6.938893     -2.660830      4.923882
  C      -3.338281     -5.815191      6.278172
  C      -3.203487     -4.735254      7.185874
  C      -3.774948     -4.770839      8.452998
  C      -4.469620     -5.908191      8.841254
  F      -5.045822     -5.932005     10.072206
  C      -4.593648     -7.022750      8.000701
  C      -5.373559     -8.209671      8.366838
  O      -5.563427     -9.174071      7.630175
  C      -5.999661     -8.352343      9.766429
  O      -5.477356     -8.971970     10.659143
  C      -7.430922     -7.758168      9.852678
  O      -7.931642     -7.151350      8.949628
  Cl     -8.224008     -8.040549     11.406944
  C      -4.015592     -6.963081      6.720811
  H      -1.171024     -1.851728      2.342361
  H      -1.271836      0.660282      2.286276
  H      -5.433483     -2.018769      1.724536
  H      -7.026565     -5.833774      6.157811
  H      -8.365134     -4.699494      7.910669
  H      -6.551899     -2.069738      4.093039
  H      -2.634622     -3.859524      6.875562
  H      -3.678866     -3.931218      9.141352
  H      -4.160908     -7.828534      6.074368
  N      -3.827848     -2.623468      4.969808
  N      -3.828034     -1.620790      5.513824
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469106647332
  N      -3.244958     -3.522261      2.207396
  C      -3.327316     -4.313901      0.975872
  C      -3.217530     -5.782220      1.349268
  N      -4.061381     -6.065070      2.542271
  C      -5.508242     -6.170833      2.200352
  C      -6.340399     -5.874344      3.436704
  N      -5.818367     -4.642881      4.055019
  Mo     -3.880061     -4.294715      3.914091
  N      -2.838999     -5.669737      4.968477
  C      -2.458196     -6.870966      4.216580
  C      -3.583016     -7.276878      3.267850
  H      -2.215139     -7.705738      4.893136
  H      -1.542052     -6.645794      3.647743
  H      -4.428327     -7.669462      3.847547
  H      -3.270162     -8.055881      2.551486
  H      -7.395096     -5.741237      3.143428
  H      -6.311294     -6.725502      4.143133
  H      -5.720816     -5.413858      1.432942
  H      -5.737063     -7.164988      1.779828
  H      -2.506485     -4.047328      0.287115
  H      -4.270614     -4.102546      0.435365
  H      -2.179449     -6.004516      1.632039
  H      -3.495504     -6.438736      0.506875
  C      -3.295015     -2.109113      2.040748
  C      -2.126440     -1.340733      2.196596
  C      -2.175490      0.051540      2.179408
  C      -3.404523      0.672485      2.007510
  F      -3.450411      2.027647      2.020364
  C      -4.591473     -0.053074      1.831931
  C      -5.917925      0.576740      1.725954
  O      -6.958396     -0.043685      1.542135
  C      -6.095856      2.103109      1.821121
  O      -6.259131      2.796420      0.846950
  C      -6.143379      2.647007      3.272219
  O      -5.694299      2.046797      4.202971
  Cl     -6.871845      4.259672      3.397200
  C      -4.509598     -1.455900      1.827044
  C      -6.662798     -4.024181      5.007428
  C      -7.204979     -4.751065      6.090210
  C      -7.944091     -4.115668      7.085677
  C      -8.143017     -2.744632      7.006985
  F      -8.879310     -2.135063      7.966831
  C      -7.647220     -1.990969      5.932379
  C      -7.858037     -0.542860      5.800526
  O      -7.856791      0.066169      4.736510
  C      -7.881075      0.371914      7.034328
  O      -7.154642      0.238773      7.989055
  C      -8.821066      1.587358      6.865897
  O      -9.981791      1.479669      6.608272
  Cl     -8.027870      3.139975      7.237648
  C      -6.926987     -2.656200      4.926136
  C      -3.328805     -5.824397      6.273580
  C      -3.197221     -4.745446      7.182677
  C      -3.769202     -4.783147      8.449237
  C      -4.465527     -5.920864      8.833752
  F      -5.045154     -5.946887     10.062973
  C      -4.587490     -7.034273      7.991570
  C      -5.367260     -8.222202      8.355219
  O      -5.561868     -9.182465      7.614454
  C      -6.010880     -8.356134      9.747485
  O      -5.505737     -8.980079     10.647268
  C      -7.425619     -7.723470      9.824863
  O      -7.908144     -7.110839      8.915471
  Cl     -8.226326     -7.966952     11.381457
  C      -4.006389     -6.973011      6.713011
  H      -1.178775     -1.853722      2.366762
  H      -1.280457      0.658371      2.315756
  H      -5.435598     -2.022298      1.711713
  H      -7.019566     -5.822531      6.176333
  H      -8.357615     -4.677863      7.923086
  H      -6.540109     -2.070627      4.091303
  H      -2.625520     -3.870659      6.875683
  H      -3.673883     -3.944739      9.139040
  H      -4.146835     -7.839044      6.066441
  N      -3.810422     -2.626068      4.972407
  N      -3.807031     -1.621677      5.513325
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469189004732
  N      -3.250705     -3.524475      2.206601
  C      -3.348820     -4.315401      0.975972
  C      -3.232193     -5.783345      1.347442
  N      -4.064261     -6.067808      2.548412
  C      -5.514112     -6.176521      2.220116
  C      -6.335444     -5.877374      3.462997
  N      -5.810039     -4.642336      4.071503
  Mo     -3.872401     -4.296290      3.918979
  N      -2.825856     -5.673406      4.966872
  C      -2.447611     -6.872758      4.210953
  C      -3.577526     -7.279680      3.268865
  H      -2.197687     -7.707125      4.885563
  H      -1.535770     -6.643711      3.636933
  H      -4.418273     -7.675692      3.852667
  H      -3.267134     -8.056420      2.548972
  H      -7.393213     -5.748510      3.179360
  H      -6.297179     -6.725319      4.172944
  H      -5.735277     -5.422169      1.452632
  H      -5.744305     -7.172668      1.805161
  H      -2.537266     -4.048269      0.276623
  H      -4.299562     -4.105528      0.448099
  H      -2.191088     -6.003016      1.621096
  H      -3.516789     -6.441223      0.508479
  C      -3.301725     -2.111322      2.043415
  C      -2.134163     -1.343207      2.212129
  C      -2.182176      0.048720      2.195692
  C      -3.409324      0.670366      2.013033
  F      -3.455112      2.025839      2.021540
  C      -4.595007     -0.054277      1.828274
  C      -5.920754      0.576486      1.712687
  O      -6.959343     -0.045027      1.524820
  C      -6.100105      2.101886      1.841388
  O      -6.282883      2.810982      0.882755
  C      -6.125826      2.621221      3.303173
  O      -5.669807      2.004985      4.220171
  Cl     -6.846488      4.233600      3.461407
  C      -4.514111     -1.457114      1.821464
  C      -6.652324     -4.015201      5.020082
  C      -7.195735     -4.733093      6.107841
  C      -7.935375     -4.090126      7.098256
  C      -8.134034     -2.719548      7.007493
  F      -8.871393     -2.101736      7.961437
  C      -7.636889     -1.974873      5.927326
  C      -7.855383     -0.529140      5.779243
  O      -7.850266      0.068669      4.708982
  C      -7.891232      0.398964      7.002250
  O      -7.160640      0.287189      7.956499
  C      -8.850471      1.599433      6.820319
  O     -10.000563      1.473144      6.526440
  Cl     -8.100519      3.163164      7.232982
  C      -6.915616     -2.647648      4.927723
  C      -3.320641     -5.830837      6.269871
  C      -3.193072     -4.753278      7.181178
  C      -3.764984     -4.794131      8.447151
  C      -4.460885     -5.933539      8.828225
  F      -5.041550     -5.963695     10.056673
  C      -4.580524     -7.045151      7.983744
  C      -5.358853     -8.235559      8.343446
  O      -5.542039     -9.198176      7.602608
  C      -6.013284     -8.366937      9.730117
  O      -5.521186     -8.999478     10.631521
  C      -7.422742     -7.722601      9.798188
  O      -7.896213     -7.109033      8.884287
  Cl     -8.232486     -7.954991     11.351868
  C      -3.996919     -6.981146      6.706156
  H      -1.188584     -1.857263      2.390186
  H      -1.287866      0.654863      2.339681
  H      -5.439282     -2.023469      1.699437
  H      -7.011108     -5.804135      6.201637
  H      -8.350589     -4.645570      7.939527
  H      -6.528947     -2.069718      4.087529
  H      -2.620735     -3.878243      6.876957
  H      -3.671166     -3.957202      9.138805
  H      -4.132778     -7.847412      6.059165
  N      -3.793740     -2.625599      4.974105
  N      -3.785408     -1.619280      5.511290
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469248623642
  N      -3.260483     -3.526137      2.206569
  C      -3.374582     -4.317226      0.977195
  C      -3.248913     -5.784651      1.347235
  N      -4.067063     -6.071564      2.557511
  C      -5.520332     -6.184327      2.245081
  C      -6.328830     -5.882988      3.495928
  N      -5.800406     -4.644170      4.094173
  Mo     -3.864428     -4.297980      3.926157
  N      -2.809627     -5.676533      4.965359
  C      -2.433817     -6.873939      4.205021
  C      -3.569869     -7.283238      3.271564
  H      -2.174461     -7.707209      4.877442
  H      -1.527765     -6.639537      3.624212
  H      -4.404754     -7.683740      3.860496
  H      -3.262494     -8.057216      2.547415
  H      -7.390103     -5.759176      3.223562
  H      -6.279661     -6.727677      4.209167
  H      -5.751853     -5.432734      1.478031
  H      -5.752118     -7.182570      1.836255
  H      -2.573565     -4.048809      0.266419
  H      -4.333367     -4.110485      0.462979
  H      -2.204270     -6.000193      1.610556
  H      -3.540257     -6.444695      0.512446
  C      -3.310833     -2.112995      2.045709
  C      -2.142162     -1.347507      2.221846
  C      -2.186222      0.044361      2.204521
  C      -3.410779      0.669181      2.014257
  F      -3.453545      2.024946      2.018282
  C      -4.597282     -0.052462      1.824875
  C      -5.922476      0.580455      1.707062
  O      -6.956881     -0.038460      1.492332
  C      -6.100742      2.105719      1.854391
  O      -6.306872      2.822362      0.906595
  C      -6.110575      2.609963      3.322630
  O      -5.650009      1.983181      4.230180
  Cl     -6.824715      4.222437      3.501316
  C      -4.520098     -1.455333      1.817793
  C      -6.639620     -4.009157      5.039770
  C      -7.181933     -4.718225      6.133558
  C      -7.921820     -4.068388      7.119384
  C      -8.122414     -2.698784      7.016078
  F      -8.860752     -2.073461      7.964598
  C      -7.626266     -1.962976      5.929491
  C      -7.854712     -0.520337      5.764966
  O      -7.848369      0.065809      4.688391
  C      -7.902318      0.420893      6.977500
  O      -7.165859      0.331629      7.929271
  C      -8.882305      1.603953      6.784763
  O     -10.020947      1.455101      6.458278
  Cl     -8.179584      3.179894      7.231149
  C      -6.904045     -2.642576      4.935827
  C      -3.308536     -5.837251      6.266510
  C      -3.184822     -4.761445      7.180792
  C      -3.758121     -4.805582      8.445522
  C      -4.452791     -5.947209      8.823023
  F      -5.035120     -5.981527     10.050433
  C      -4.568850     -7.057178      7.976335
  C      -5.345731     -8.250447      8.330977
  O      -5.524783     -9.210460      7.585447
  C      -6.024687     -8.373611      9.705757
  O      -5.562746     -9.024654     10.610224
  C      -7.425436     -7.709570      9.750014
  O      -7.874210     -7.088236      8.828648
  Cl     -8.267639     -7.936449     11.287592
  C      -3.982729     -6.989919      6.699720
  H      -1.199311     -1.864406      2.405876
  H      -1.291005      0.648047      2.353143
  H      -5.446029     -2.020079      1.693986
  H      -6.995903     -5.788329      6.235593
  H      -8.336635     -4.616975      7.965468
  H      -6.519420     -2.072460      4.089395
  H      -2.613417     -3.885074      6.878933
  H      -3.666894     -3.970065      9.139156
  H      -4.115088     -7.855871      6.051824
  N      -3.776328     -2.624833      4.977474
  N      -3.761973     -1.617128      5.511988
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469285993402
  N      -3.263922     -3.527927      2.209159
  C      -3.391750     -4.317414      0.979636
  C      -3.264888     -5.785454      1.347645
  N      -4.073100     -6.072575      2.565029
  C      -5.529344     -6.183871      2.264491
  C      -6.327036     -5.878594      3.521546
  N      -5.793005     -4.638315      4.112008
  Mo     -3.857265     -4.298944      3.933291
  N      -2.800190     -5.681656      4.965912
  C      -2.428670     -6.876999      4.199855
  C      -3.570842     -7.285539      3.273336
  H      -2.162731     -7.711298      4.868462
  H      -1.527503     -6.639299      3.612940
  H      -4.401784     -7.688167      3.866317
  H      -3.267771     -8.057634      2.545419
  H      -7.390471     -5.754988      3.257646
  H      -6.272366     -6.720935      4.237176
  H      -5.766029     -5.433121      1.498210
  H      -5.766094     -7.182377      1.859362
  H      -2.597093     -4.049440      0.261686
  H      -4.355039     -4.109365      0.474626
  H      -2.218312     -6.002280      1.602044
  H      -3.564132     -6.444740      0.515086
  C      -3.314507     -2.114425      2.051461
  C      -2.149976     -1.347342      2.246015
  C      -2.196267      0.044677      2.233239
  C      -3.419328      0.667871      2.029226
  F      -3.464854      2.023542      2.037550
  C      -4.602011     -0.055089      1.821760
  C      -5.927502      0.576065      1.692797
  O      -6.956118     -0.041931      1.450501
  C      -6.109512      2.099347      1.859141
  O      -6.317952      2.827193      0.920400
  C      -6.107822      2.589473      3.332469
  O      -5.642768      1.953398      4.231079
  Cl     -6.819954      4.200945      3.530830
  C      -4.522065     -1.457712      1.809916
  C      -6.629745     -3.992492      5.052207
  C      -7.174811     -4.690068      6.152114
  C      -7.916240     -4.029799      7.129700
  C      -8.115700     -2.661219      7.012283
  F      -8.855669     -2.025997      7.952954
  C      -7.615684     -1.936487      5.920078
  C      -7.843184     -0.495774      5.740152
  O      -7.821950      0.081021      4.658642
  C      -7.907288      0.456896      6.942534
  O      -7.167082      0.387082      7.893133
  C      -8.904887      1.623772      6.740243
  O     -10.033102      1.455905      6.386841
  Cl     -8.243866      3.209719      7.210521
  C      -6.891328     -2.626463      4.935058
  C      -3.302110     -5.847712      6.265081
  C      -3.184252     -4.774314      7.183382
  C      -3.761550     -4.824366      8.446138
  C      -4.451023     -5.970569      8.819105
  F      -5.033554     -6.012043     10.046443
  C      -4.560585     -7.078430      7.968963
  C      -5.330345     -8.277931      8.319171
  O      -5.490112     -9.242300      7.574911
  C      -6.013311     -8.406966      9.691739
  O      -5.557588     -9.066384     10.593214
  C      -7.409932     -7.734211      9.737612
  O      -7.856771     -7.112397      8.815642
  Cl     -8.255714     -7.961010     11.273599
  C      -3.972635     -7.004742      6.693465
  H      -1.209006     -1.863540      2.441239
  H      -1.304186      0.649364      2.395886
  H      -5.445647     -2.023579      1.674153
  H      -6.989725     -5.759182      6.265564
  H      -8.333211     -4.569400      7.980298
  H      -6.504566     -2.065321      4.083691
  H      -2.616190     -3.894305      6.885261
  H      -3.675046     -3.990903      9.142911
  H      -4.100800     -7.869429      6.043092
  N      -3.758964     -2.624347      4.981499
  N      -3.738024     -1.615440      5.513631
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469338366997
  N      -3.279353     -3.524136      2.213891
  C      -3.411383     -4.315097      0.984876
  C      -3.277044     -5.782560      1.352820
  N      -4.076661     -6.073177      2.575697
  C      -5.534947     -6.186887      2.284398
  C      -6.325430     -5.882088      3.546501
  N      -5.791074     -4.640827      4.133696
  Mo     -3.858380     -4.297618      3.942873
  N      -2.794900     -5.681084      4.967508
  C      -2.421645     -6.874535      4.198600
  C      -3.566794     -7.286408      3.277760
  H      -2.145752     -7.706608      4.865802
  H      -1.525706     -6.629354      3.606913
  H      -4.393672     -7.694019      3.872963
  H      -3.265072     -8.055489      2.546153
  H      -7.390537     -5.761259      3.288015
  H      -6.265198     -6.723594      4.262728
  H      -5.777525     -5.436519      1.519626
  H      -5.773345     -7.185981      1.881956
  H      -2.621752     -4.044871      0.262440
  H      -4.378458     -4.111487      0.485801
  H      -2.228174     -5.994982      1.601442
  H      -3.578764     -6.444032      0.522985
  C      -3.324671     -2.111045      2.053738
  C      -2.154347     -1.351011      2.241548
  C      -2.189994      0.041389      2.219217
  C      -3.408587      0.672710      2.012414
  F      -3.443807      2.028582      2.008204
  C      -4.597119     -0.042920      1.812820
  C      -5.918825      0.596341      1.679893
  O      -6.951959     -0.016075      1.444279
  C      -6.091234      2.121381      1.846882
  O      -6.297786      2.851815      0.909974
  C      -6.067919      2.612470      3.320207
  O      -5.603812      1.971166      4.215315
  Cl     -6.760387      4.232288      3.522781
  C      -4.527642     -1.445776      1.810940
  C      -6.626901     -3.990097      5.070622
  C      -7.169774     -4.681524      6.175462
  C      -7.914200     -4.017516      7.147943
  C      -8.119771     -2.650724      7.019559
  F      -8.863376     -2.011485      7.954724
  C      -7.621838     -1.932462      5.922543
  C      -7.857293     -0.494972      5.729608
  O      -7.838847      0.072552      4.643435
  C      -7.929539      0.466848      6.926086
  O      -7.186447      0.413651      7.875002
  C      -8.938948      1.617754      6.717015
  O     -10.062695      1.434894      6.354836
  Cl     -8.309495      3.209941      7.201222
  C      -6.893410     -2.626180      4.943158
  C      -3.299935     -5.851198      6.264691
  C      -3.187348     -4.780561      7.187618
  C      -3.768043     -4.836400      8.448208
  C      -4.452074     -5.987197      8.817388
  F      -5.032505     -6.036124     10.045371
  C      -4.556368     -7.092440      7.963609
  C      -5.319990     -8.298076      8.308475
  O      -5.455557     -9.267846      7.566078
  C      -6.006346     -8.434674      9.678260
  O      -5.557580     -9.105172     10.575261
  C      -7.399949     -7.756610      9.725553
  O      -7.841826     -7.125925      8.807103
  Cl     -8.251787     -7.990105     11.258347
  C      -3.966449     -7.012611      6.689108
  H      -1.216887     -1.872816      2.439004
  H      -1.292849      0.640092      2.375993
  H      -5.455268     -2.006803      1.682463
  H      -6.979436     -5.748794      6.296861
  H      -8.329201     -4.551441      8.002769
  H      -6.508460     -2.070729      4.087253
  H      -2.623428     -3.896785      6.892022
  H      -3.685642     -4.005417      9.148522
  H      -4.091896     -7.875965      6.036452
  N      -3.756178     -2.621193      4.987942
  N      -3.728166     -1.612877      5.520192
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469386750068
  N      -3.282495     -3.524783      2.217741
  C      -3.420726     -4.313422      0.988079
  C      -3.285964     -5.781455      1.352797
  N      -4.079574     -6.073360      2.579063
  C      -5.539205     -6.184983      2.294316
  C      -6.323809     -5.881072      3.560116
  N      -5.786041     -4.640587      4.145720
  Mo     -3.854206     -4.300141      3.948173
  N      -2.789009     -5.686879      4.966770
  C      -2.418322     -6.877991      4.193228
  C      -3.567170     -7.288178      3.276279
  H      -2.138378     -7.711477      4.856959
  H      -1.525540     -6.630358      3.597838
  H      -4.391700     -7.697336      3.873709
  H      -3.268318     -8.055605      2.541793
  H      -7.389912     -5.759286      3.306220
  H      -6.261043     -6.723190      4.275420
  H      -5.784241     -5.433127      1.531773
  H      -5.780758     -7.183149      1.891420
  H      -2.633814     -4.042304      0.263046
  H      -4.389733     -4.108129      0.493387
  H      -2.235979     -5.995580      1.595148
  H      -3.592979     -6.440963      0.523321
  C      -3.326278     -2.111657      2.058885
  C      -2.156940     -1.351836      2.252764
  C      -2.192258      0.040599      2.230308
  C      -3.409549      0.672127      2.017333
  F      -3.444219      2.027995      2.012136
  C      -4.597346     -0.043357      1.812344
  C      -5.918263      0.596050      1.673414
  O      -6.949674     -0.015467      1.428046
  C      -6.091588      2.120617      1.842363
  O      -6.296629      2.852816      0.906443
  C      -6.074116      2.608722      3.316726
  O      -5.611007      1.966238      4.211402
  Cl     -6.771056      4.226731      3.521553
  C      -4.527976     -1.446129      1.810498
  C      -6.620507     -3.985752      5.080927
  C      -7.162225     -4.672746      6.189107
  C      -7.907351     -4.004930      7.158359
  C      -8.115101     -2.639006      7.023388
  F      -8.859953     -1.996639      7.955264
  C      -7.617610     -1.924954      5.923316
  C      -7.853537     -0.488511      5.723666
  O      -7.826917      0.075281      4.635682
  C      -7.937168      0.478184      6.914940
  O      -7.191321      0.436077      7.862873
  C      -8.958392      1.618350      6.703498
  O     -10.079561      1.421706      6.340014
  Cl     -8.351445      3.216049      7.195649
  C      -6.887731     -2.622611      4.947573
  C      -3.292214     -5.860711      6.263893
  C      -3.180684     -4.791070      7.187961
  C      -3.758874     -4.850157      8.449562
  C      -4.441580     -6.001963      8.817387
  F      -5.019102     -6.053919     10.046698
  C      -4.546469     -7.105641      7.961616
  C      -5.310744     -8.311578      8.304655
  O      -5.444638     -9.280840      7.561489
  C      -6.014197     -8.440121      9.666968
  O      -5.585210     -9.117622     10.568413
  C      -7.396980     -7.739487      9.700343
  O      -7.821299     -7.105003      8.776025
  Cl     -8.266686     -7.956044     11.225684
  C      -3.956646     -7.023815      6.687308
  H      -1.220392     -1.873772      2.454142
  H      -1.295639      0.639086      2.390855
  H      -5.455015     -2.006932      1.676865
  H      -6.970937     -5.739353      6.315175
  H      -8.321615     -4.535332      8.015863
  H      -6.502827     -2.070650      4.089264
  H      -2.618125     -3.906159      6.893307
  H      -3.675924     -4.020607      9.151505
  H      -4.082500     -7.886303      6.033635
  N      -3.746847     -2.624468      4.993620
  N      -3.715576     -1.616415      5.526389
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469441934489
  N      -3.290308     -3.523427      2.227513
  C      -3.437345     -4.306950      0.995814
  C      -3.303355     -5.776477      1.353252
  N      -4.087347     -6.071300      2.584361
  C      -5.549012     -6.177892      2.309585
  C      -6.324251     -5.877478      3.581490
  N      -5.779967     -4.639905      4.167365
  Mo     -3.849874     -4.303865      3.959222
  N      -2.783116     -5.698006      4.966255
  C      -2.416879     -6.884138      4.183603
  C      -3.571739     -7.289894      3.272146
  H      -2.131139     -7.721352      4.840154
  H      -1.529067     -6.632516      3.582491
  H      -4.392569     -7.702270      3.872569
  H      -3.277572     -8.053776      2.532154
  H      -7.391627     -5.752245      3.334711
  H      -6.258844     -6.722302      4.293336
  H      -5.797031     -5.421920      1.552041
  H      -5.796620     -7.173382      1.903576
  H      -2.653665     -4.033691      0.268087
  H      -4.408454     -4.097537      0.506849
  H      -2.251731     -5.995088      1.584150
  H      -3.620063     -6.430706      0.523138
  C      -3.328387     -2.110129      2.069739
  C      -2.158317     -1.353882      2.270971
  C      -2.188653      0.038575      2.245465
  C      -3.401714      0.673757      2.021898
  F      -3.430830      2.029671      2.013208
  C      -4.590757     -0.038180      1.810344
  C      -5.907540      0.606216      1.660560
  O      -6.939338     -0.000219      1.403490
  C      -6.075732      2.130965      1.826512
  O      -6.279499      2.863015      0.889989
  C      -6.076101      2.617175      3.301116
  O      -5.619416      1.973947      4.198345
  Cl     -6.779928      4.233403      3.503834
  C      -4.526248     -1.441150      1.811940
  C      -6.613908     -3.978753      5.098626
  C      -7.154655     -4.659361      6.211291
  C      -7.903248     -3.986086      7.173799
  C      -8.115782     -2.621953      7.028014
  F      -8.864528     -1.975273      7.953426
  C      -7.618524     -1.914213      5.923629
  C      -7.855698     -0.479905      5.713453
  O      -7.815718      0.079030      4.623215
  C      -7.959648      0.493683      6.896019
  O      -7.209773      0.471533      7.842120
  C      -9.003243      1.612048      6.681022
  O     -10.116947      1.391853      6.307289
  Cl     -8.427223      3.225183      7.156770
  C      -6.883340     -2.617497      4.955322
  C      -3.282301     -5.879679      6.263512
  C      -3.172029     -4.812199      7.189822
  C      -3.745586     -4.877882      8.453480
  C      -4.425102     -6.031988      8.818700
  F      -4.996097     -6.090145     10.050981
  C      -4.531159     -7.132741      7.958924
  C      -5.292317     -8.341649      8.300611
  O      -5.417757     -9.312214      7.558323
  C      -6.015337     -8.461275      9.655051
  O      -5.612074     -9.151178     10.559046
  C      -7.378235     -7.722689      9.679123
  O      -7.783754     -7.083885      8.748921
  Cl     -8.258096     -7.903867     11.203310
  C      -3.943197     -7.045924      6.684508
  H      -1.224545     -1.878266      2.478769
  H      -1.290896      0.634179      2.410274
  H      -5.454229     -1.998443      1.670382
  H      -6.961620     -5.724756      6.344812
  H      -8.316991     -4.511484      8.034824
  H      -6.497258     -2.070436      4.094389
  H      -2.610884     -3.925663      6.897785
  H      -3.661135     -4.051368      9.158820
  H      -4.068700     -7.906989      6.028924
  N      -3.733651     -2.630738      5.007537
  N      -3.696138     -1.624345      5.543319
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469482710741
  N      -3.297157     -3.522197      2.235515
  C      -3.452452     -4.301846      1.002252
  C      -3.318736     -5.772672      1.353924
  N      -4.094234     -6.069807      2.589599
  C      -5.557826     -6.172694      2.324232
  C      -6.324299     -5.874196      3.601673
  N      -5.773955     -4.638854      4.186832
  Mo     -3.845465     -4.306951      3.968608
  N      -2.777169     -5.707335      4.965545
  C      -2.415240     -6.889523      4.175591
  C      -3.575776     -7.291475      3.269615
  H      -2.124660     -7.729679      4.826296
  H      -1.531722     -6.634823      3.569482
  H      -4.393202     -7.705959      3.873235
  H      -3.286280     -8.052777      2.525165
  H      -7.392878     -5.746252      3.361716
  H      -6.256054     -6.720662      4.311280
  H      -5.809201     -5.414041      1.570472
  H      -5.810297     -7.166406      1.916763
  H      -2.672365     -4.027027      0.271262
  H      -4.425788     -4.089499      0.519080
  H      -2.265749     -5.994660      1.575158
  H      -3.643573     -6.422904      0.523768
  C      -3.331951     -2.108857      2.079119
  C      -2.162408     -1.354247      2.288425
  C      -2.190187      0.038223      2.261073
  C      -3.400334      0.675120      2.027616
  F      -3.426809      2.031069      2.016500
  C      -4.589137     -0.035158      1.808442
  C      -5.903026      0.612124      1.647878
  O      -6.934990      0.008222      1.385353
  C      -6.068289      2.137094      1.813434
  O      -6.261408      2.871356      0.876317
  C      -6.067002      2.622976      3.287989
  O      -5.611835      1.978109      4.184853
  Cl     -6.767542      4.240783      3.492525
  C      -4.527077     -1.438148      1.812802
  C      -6.607337     -3.971192      5.114032
  C      -7.147767     -4.645023      6.230894
  C      -7.899221     -3.966047      7.187067
  C      -8.115212     -2.603548      7.030546
  F      -8.866618     -1.951753      7.950046
  C      -7.617716     -1.902679      5.921944
  C      -7.857668     -0.470753      5.700123
  O      -7.808741      0.081662      4.606751
  C      -7.977961      0.511205      6.873387
  O      -7.225027      0.508942      7.817674
  C      -9.039939      1.610136      6.651667
  O     -10.148913      1.370419      6.275692
  Cl     -8.496503      3.231109      7.137403
  C      -6.878252     -2.611594      4.960817
  C      -3.273609     -5.894764      6.262724
  C      -3.164723     -4.828821      7.190911
  C      -3.737234     -4.898534      8.454930
  C      -4.413902     -6.054762      8.818177
  F      -4.981322     -6.117442     10.051992
  C      -4.518631     -7.154122      7.956276
  C      -5.274021     -8.367342      8.297848
  O      -5.389833     -9.339525      7.556469
  C      -6.012217     -8.480826      9.645686
  O      -5.629591     -9.182445     10.549734
  C      -7.362559     -7.720244      9.661201
  O      -7.757028     -7.082594      8.725165
  Cl     -8.250766     -7.879355     11.183215
  C      -3.931649     -7.063457      6.681846
  H      -1.230859     -1.879678      2.503438
  H      -1.292591      0.632450      2.431619
  H      -5.455275     -1.993480      1.665163
  H      -6.953270     -5.709147      6.371923
  H      -8.312779     -4.486118      8.051421
  H      -6.491175     -2.069606      4.097134
  H      -2.604392     -3.941125      6.901025
  H      -3.652971     -4.073806      9.162387
  H      -4.054865     -7.924141      6.025247
  N      -3.720513     -2.635884      5.019309
  N      -3.676639     -1.630826      5.557143
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469524087717
  N      -3.304652     -3.520490      2.243718
  C      -3.468972     -4.295893      1.008730
  C      -3.335961     -5.768296      1.353881
  N      -4.102887     -6.067648      2.594006
  C      -5.568282     -6.166822      2.338111
  C      -6.325520     -5.870251      3.621211
  N      -5.768215     -4.637536      4.205917
  Mo     -3.841281     -4.310136      3.977721
  N      -2.772022     -5.717548      4.964040
  C      -2.415522     -6.895701      4.166583
  C      -3.582222     -7.292712      3.266306
  H      -2.121528     -7.739516      4.811095
  H      -1.535768     -6.639125      3.555819
  H      -4.396191     -7.708566      3.873621
  H      -3.298013     -8.051660      2.517439
  H      -7.395293     -5.739142      3.388777
  H      -6.254318     -6.718451      4.328410
  H      -5.823294     -5.405585      1.588169
  H      -5.825200     -7.158817      1.929164
  H      -2.692849     -4.019657      0.274062
  H      -4.444563     -4.080091      0.531859
  H      -2.281767     -5.994334      1.565036
  H      -3.669447     -6.413990      0.523592
  C      -3.334130     -2.106909      2.088896
  C      -2.163006     -1.356750      2.305041
  C      -2.184508      0.035645      2.274209
  C      -3.390212      0.677103      2.030617
  F      -3.410062      2.033133      2.013643
  C      -4.580757     -0.028656      1.805843
  C      -5.890264      0.624617      1.635022
  O      -6.923697      0.024875      1.368484
  C      -6.049518      2.150582      1.798767
  O      -6.238392      2.884865      0.860846
  C      -6.057472      2.635382      3.273537
  O      -5.607482      1.989669      4.172548
  Cl     -6.759080      4.252874      3.475882
  C      -4.525024     -1.432002      1.814525
  C      -6.601769     -3.963607      5.128579
  C      -7.142587     -4.631201      6.248844
  C      -7.897881     -3.947295      7.198506
  C      -8.117220     -2.586538      7.031531
  F      -8.871924     -1.929891      7.944829
  C      -7.618907     -1.892124      5.919304
  C      -7.864094     -0.463084      5.686327
  O      -7.808140      0.083379      4.589989
  C      -8.001336      0.526609      6.850199
  O      -7.245912      0.546055      7.792264
  C      -9.083829      1.604038      6.621091
  O     -10.187032      1.343347      6.242804
  Cl     -8.574720      3.232982      7.119261
  C      -6.874410     -2.605816      4.965554
  C      -3.265424     -5.910226      6.261433
  C      -3.156578     -4.845532      7.191055
  C      -3.728947     -4.917585      8.455132
  C      -4.404749     -6.074916      8.816537
  F      -4.970598     -6.140356     10.051013
  C      -4.508640     -7.173485      7.953368
  C      -5.259100     -8.390631      8.294903
  O      -5.354612     -9.369461      7.559805
  C      -6.004262     -8.501710      9.640063
  O      -5.633033     -9.213039     10.541506
  C      -7.345858     -7.727370      9.655725
  O      -7.741368     -7.096486      8.715376
  Cl     -8.227830     -7.865049     11.183582
  C      -3.921621     -7.080391      6.679275
  H      -1.234991     -1.885493      2.527070
  H      -1.285441      0.626364      2.449116
  H      -5.455142     -1.982830      1.662296
  H      -6.946477     -5.694029      6.396900
  H      -8.311916     -4.462720      8.065420
  H      -6.486121     -2.068366      4.099574
  H      -2.595316     -3.957812      6.903304
  H      -3.644533     -4.094060      9.163961
  H      -4.041967     -7.941123      6.022126
  N      -3.706719     -2.641847      5.032242
  N      -3.656982     -1.639447      5.574424
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469557288756
  N      -3.311324     -3.519539      2.250108
  C      -3.485777     -4.290922      1.013723
  C      -3.352733     -5.764925      1.352516
  N      -4.110841     -6.066745      2.597257
  C      -5.578029     -6.164010      2.351487
  C      -6.325155     -5.869037      3.640707
  N      -5.761093     -4.638076      4.223806
  Mo     -3.835589     -4.314184      3.984989
  N      -2.763982     -5.727656      4.960947
  C      -2.414044     -6.902435      4.156552
  C      -3.587195     -7.294666      3.262423
  H      -2.118066     -7.750119      4.795211
  H      -1.537452     -6.645581      3.541413
  H      -4.397207     -7.711717      3.874136
  H      -3.308263     -8.051416      2.509367
  H      -7.396430     -5.735685      3.417207
  H      -6.249485     -6.718387      4.345991
  H      -5.838071     -5.401164      1.604889
  H      -5.838085     -7.154954      1.941997
  H      -2.714867     -4.013202      0.274143
  H      -4.464268     -4.072328      0.544372
  H      -2.297329     -5.994389      1.553717
  H      -3.694478     -6.406439      0.522337
  C      -3.337770     -2.105462      2.098267
  C      -2.165937     -1.358530      2.322099
  C      -2.183349      0.033769      2.290650
  C      -3.385846      0.678363      2.038818
  F      -3.401660      2.034517      2.019748
  C      -4.576948     -0.024091      1.807401
  C      -5.883328      0.633434      1.628213
  O      -6.916866      0.036435      1.356224
  C      -6.039728      2.160020      1.793314
  O      -6.213161      2.896919      0.854578
  C      -6.046352      2.644207      3.268490
  O      -5.598085      1.997406      4.167916
  Cl     -6.745351      4.262095      3.471459
  C      -4.525509     -1.427808      1.817463
  C      -6.594841     -3.958573      5.142579
  C      -7.136050     -4.620351      6.266042
  C      -7.894754     -3.932136      7.210053
  C      -8.116632     -2.573070      7.033684
  F      -8.874487     -1.911779      7.941139
  C      -7.617925     -1.884735      5.917846
  C      -7.871121     -0.459131      5.674261
  O      -7.812980      0.081046      4.574552
  C      -8.022391      0.538289      6.828677
  O      -7.264330      0.580079      7.767415
  C      -9.125980      1.594189      6.591963
  O     -10.218246      1.313860      6.197857
  Cl     -8.647091      3.234708      7.088471
  C      -6.869211     -2.602438      4.970547
  C      -3.254295     -5.924321      6.258933
  C      -3.143359     -4.860601      7.189489
  C      -3.716166     -4.932882      8.453466
  C      -4.394239     -6.089561      8.812943
  F      -4.961502     -6.155016     10.046884
  C      -4.498233     -7.188034      7.949535
  C      -5.246971     -8.407058      8.290753
  O      -5.329707     -9.389605      7.559489
  C      -6.002412     -8.511961      9.631261
  O      -5.650093     -9.238738     10.528240
  C      -7.331671     -7.718222      9.644447
  O      -7.721638     -7.088906      8.700575
  Cl     -8.213784     -7.836403     11.173918
  C      -3.910133     -7.094732      6.676041
  H      -1.240952     -1.889870      2.550389
  H      -1.283834      0.622106      2.471141
  H      -5.457009     -1.974906      1.660570
  H      -6.938527     -5.681980      6.420450
  H      -8.309303     -4.443630      8.079037
  H      -6.480529     -2.068978      4.102316
  H      -2.579223     -3.974200      6.903551
  H      -3.630641     -4.110026      9.162914
  H      -4.028125     -7.955632      6.018680
  N      -3.691388     -2.648981      5.044042
  N      -3.635930     -1.649802      5.591330
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469581502898
  N      -3.317170     -3.519857      2.255039
  C      -3.503422     -4.288025      1.018105
  C      -3.369902     -5.763060      1.352323
  N      -4.119039     -6.066555      2.602214
  C      -5.588160     -6.162136      2.366708
  C      -6.325435     -5.866105      3.661394
  N      -5.754960     -4.635798      4.240604
  Mo     -3.830268     -4.317197      3.991816
  N      -2.756665     -5.735811      4.959055
  C      -2.412641     -6.908130      4.148590
  C      -3.591887     -7.296797      3.260760
  H      -2.113527     -7.758351      4.782507
  H      -1.539497     -6.650074      3.529145
  H      -4.398114     -7.715057      3.876583
  H      -3.318157     -8.051491      2.503758
  H      -7.398113     -5.731167      3.446107
  H      -6.245588     -6.715206      4.366502
  H      -5.852852     -5.398776      1.622264
  H      -5.851644     -7.152757      1.958760
  H      -2.738421     -4.009821      0.272662
  H      -4.485513     -4.067195      0.557619
  H      -2.313344     -5.994850      1.544651
  H      -3.719277     -6.402153      0.523483
  C      -3.340275     -2.105326      2.106757
  C      -2.168363     -1.361572      2.341108
  C      -2.182179      0.030777      2.311241
  C      -3.381154      0.678569      2.049896
  F      -3.393697      2.034776      2.031413
  C      -4.572012     -0.020696      1.808601
  C      -5.876060      0.639568      1.620112
  O      -6.907399      0.044630      1.336058
  C      -6.031643      2.166246      1.788732
  O      -6.205691      2.904635      0.851427
  C      -6.045474      2.646832      3.265121
  O      -5.599609      1.998875      4.164882
  Cl     -6.748906      4.262283      3.468355
  C      -4.524241     -1.424515      1.818027
  C      -6.587371     -3.949041      5.155549
  C      -7.129252     -4.602782      6.283300
  C      -7.889828     -3.908505      7.221481
  C      -8.113045     -2.551117      7.034226
  F      -8.873294     -1.883673      7.935276
  C      -7.613232     -1.870570      5.914088
  C      -7.872523     -0.448222      5.657855
  O      -7.809826      0.083681      4.554229
  C      -8.038616      0.558318      6.801680
  O      -7.278781      0.621398      7.737620
  C      -9.159041      1.596045      6.556122
  O     -10.240955      1.300241      6.145822
  Cl     -8.715367      3.242209      7.068631
  C      -6.862015     -2.594140      4.973451
  C      -3.245861     -5.936232      6.256965
  C      -3.134867     -4.874562      7.189987
  C      -3.707560     -4.949698      8.453783
  C      -4.384824     -6.107739      8.810702
  F      -4.949486     -6.177176     10.045694
  C      -4.487799     -7.204751      7.945413
  C      -5.231569     -8.427913      8.284887
  O      -5.301624     -9.412287      7.554861
  C      -5.996392     -8.531987      9.620136
  O      -5.655577     -9.266494     10.515579
  C      -7.318051     -7.726751      9.630265
  O      -7.703127     -7.098220      8.683685
  Cl     -8.201247     -7.830815     11.160473
  C      -3.899734     -7.108463      6.672035
  H      -1.246802     -1.895833      2.576238
  H      -1.282744      0.616744      2.499633
  H      -5.456231     -1.968729      1.654353
  H      -6.931094     -5.663139      6.445445
  H      -8.304959     -4.414121      8.093517
  H      -6.473161     -2.066598      4.101785
  H      -2.570173     -3.987816      6.906297
  H      -3.621392     -4.128778      9.165370
  H      -4.015086     -7.968804      6.013520
  N      -3.676432     -2.653947      5.053363
  N      -3.616121     -1.656732      5.603725
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469612235209
  N      -3.322150     -3.521501      2.258368
  C      -3.520250     -4.285947      1.020733
  C      -3.386895     -5.762052      1.350465
  N      -4.128519     -6.067389      2.604672
  C      -5.599223     -6.160906      2.377805
  C      -6.327354     -5.863654      3.677442
  N      -5.750002     -4.634622      4.253603
  Mo     -3.825557     -4.321801      3.996037
  N      -2.750461     -5.745690      4.954722
  C      -2.413919     -6.916400      4.138649
  C      -3.599138     -7.300211      3.256822
  H      -2.113664     -7.769646      4.768029
  H      -1.543236     -6.658802      3.515671
  H      -4.402149     -7.718742      3.876678
  H      -3.331058     -8.053123      2.496057
  H      -7.401126     -5.726017      3.469856
  H      -6.244481     -6.712919      4.381964
  H      -5.867586     -5.396925      1.635288
  H      -5.865885     -7.151112      1.971183
  H      -2.761103     -4.007372      0.269591
  H      -4.505956     -4.062570      0.569647
  H      -2.329524     -5.996436      1.535171
  H      -3.743065     -6.398608      0.522575
  C      -3.341222     -2.106034      2.115502
  C      -2.169076     -1.366510      2.362581
  C      -2.178420      0.025871      2.338141
  C      -3.373128      0.678302      2.068589
  F      -3.381694      2.034495      2.055219
  C      -4.563611     -0.016287      1.814002
  C      -5.864177      0.648476      1.615666
  O      -6.893723      0.057519      1.317422
  C      -6.017982      2.175135      1.787034
  O      -6.182306      2.915401      0.849460
  C      -6.052983      2.652764      3.264064
  O      -5.613385      2.006158      4.167801
  Cl     -6.768514      4.263177      3.460795
  C      -4.520724     -1.420589      1.819022
  C      -6.581050     -3.941112      5.164654
  C      -7.123921     -4.587235      6.296277
  C      -7.886797     -3.887882      7.228766
  C      -8.111472     -2.532389      7.031281
  F      -8.874885     -1.859343      7.925620
  C      -7.610129     -1.859049      5.907402
  C      -7.876528     -0.440551      5.640323
  O      -7.810602      0.084249      4.533407
  C      -8.057775      0.573040      6.775852
  O      -7.297385      0.657548      7.709381
  C      -9.195073      1.590802      6.521053
  O     -10.266072      1.277699      6.096000
  Cl     -8.788038      3.241825      7.050734
  C      -6.856197     -2.587760      4.972990
  C      -3.236146     -5.948527      6.253540
  C      -3.120102     -4.889468      7.189005
  C      -3.689901     -4.966288      8.453933
  C      -4.368835     -6.123757      8.809449
  F      -4.929721     -6.195149     10.046155
  C      -4.476052     -7.218604      7.942229
  C      -5.219969     -8.442651      8.280207
  O      -5.283882     -9.427587      7.550443
  C      -5.990405     -8.544503      9.612068
  O      -5.662437     -9.290846     10.502919
  C      -7.298654     -7.718880      9.626204
  O      -7.675020     -7.081818      8.681635
  Cl     -8.183377     -7.814600     11.156576
  C      -3.889902     -7.121166      6.667943
  H      -1.251608     -1.905062      2.603735
  H      -1.278930      0.608419      2.536531
  H      -5.453444     -1.960555      1.646039
  H      -6.925169     -5.646360      6.465675
  H      -8.302673     -4.388206      8.103432
  H      -6.467404     -2.065523      4.098011
  H      -2.553766     -4.003481      6.906201
  H      -3.599341     -4.147706      9.167643
  H      -4.007133     -7.979990      6.007941
  N      -3.663084     -2.661968      5.062278
  N      -3.599237     -1.669285      5.619557
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469643720996
  N      -3.327423     -3.523336      2.261277
  C      -3.536864     -4.283783      1.022980
  C      -3.404470     -5.760785      1.348547
  N      -4.140109     -6.067764      2.606278
  C      -5.612113     -6.158329      2.386670
  C      -6.332398     -5.859852      3.690437
  N      -5.748207     -4.632595      4.264142
  Mo     -3.823579     -4.326209      3.998987
  N      -2.747710     -5.755084      4.949470
  C      -2.419028     -6.924959      4.128623
  C      -3.609740     -7.303346      3.252364
  H      -2.118375     -7.780724      4.754391
  H      -1.550236     -6.668419      3.502628
  H      -4.410302     -7.721440      3.875767
  H      -3.347495     -8.054803      2.488150
  H      -7.406897     -5.718894      3.489249
  H      -6.247848     -6.709689      4.394043
  H      -5.882903     -5.393429      1.645982
  H      -5.882124     -7.147996      1.981165
  H      -2.782923     -4.005257      0.266758
  H      -4.525987     -4.057402      0.581268
  H      -2.346622     -5.997818      1.527182
  H      -3.766495     -6.395129      0.521497
  C      -3.341801     -2.106979      2.125090
  C      -2.169465     -1.372163      2.386373
  C      -2.174260      0.020124      2.370568
  C      -3.364361      0.678054      2.093874
  F      -3.369145      2.034147      2.089484
  C      -4.553978     -0.011287      1.823077
  C      -5.850035      0.658468      1.612814
  O      -6.878548      0.072019      1.302184
  C      -6.001483      2.185352      1.780956
  O      -6.144107      2.925382      0.839534
  C      -6.066133      2.665023      3.256188
  O      -5.635948      2.023925      4.168259
  Cl     -6.797465      4.269800      3.436912
  C      -4.516238     -1.415988      1.821083
  C      -6.576859     -3.932465      5.172180
  C      -7.119212     -4.570777      6.308377
  C      -7.883218     -3.866444      7.236132
  C      -8.110124     -2.512860      7.028384
  F      -8.876292     -1.834555      7.916454
  C      -7.608547     -1.846693      5.900177
  C      -7.882142     -0.431946      5.621583
  O      -7.815450      0.084989      4.511136
  C      -8.077066      0.589199      6.748977
  O      -7.317023      0.694857      7.680534
  C      -9.229390      1.587413      6.483871
  O     -10.290700      1.257088      6.047744
  Cl     -8.855034      3.244672      7.018903
  C      -6.852905     -2.580703      4.971396
  C      -3.226669     -5.959682      6.250460
  C      -3.100448     -4.904673      7.188993
  C      -3.660608     -4.984717      8.458026
  C      -4.341476     -6.141108      8.813979
  F      -4.890405     -6.216281     10.055795
  C      -4.459731     -7.231776      7.943238
  C      -5.204671     -8.456439      8.279926
  O      -5.266513     -9.440103      7.548238
  C      -5.980946     -8.557931      9.607951
  O      -5.658308     -9.307491     10.498499
  C      -7.284952     -7.726962      9.620676
  O      -7.657514     -7.088719      8.675451
  Cl     -8.172277     -7.817608     11.150355
  C      -3.881071     -7.131874      6.665758
  H      -1.256227     -1.915707      2.632347
  H      -1.274742      0.598598      2.580436
  H      -5.449181     -1.951426      1.636004
  H      -6.919388     -5.628586      6.484860
  H      -8.298565     -4.361173      8.114226
  H      -6.465029     -2.063907      4.092836
  H      -2.532992     -4.019643      6.905418
  H      -3.560517     -4.170005      9.174864
  H      -4.005671     -7.987721      6.003416
  N      -3.653479     -2.670907      5.071385
  N      -3.587207     -1.683053      5.636178
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8009.467293823214
  N      -3.330476     -3.525029      2.263737
  C      -3.549626     -4.279733      1.023690
  C      -3.418955     -5.757850      1.343782
  N      -4.151009     -6.067869      2.603268
  C      -5.623907     -6.154246      2.388194
  C      -6.338900     -5.856522      3.695027
  N      -5.749034     -4.632020      4.268826
  Mo     -3.823611     -4.332065      3.999703
  N      -2.748634     -5.766768      4.941946
  C      -2.426941     -6.935533      4.116170
  C      -3.621435     -7.307140      3.242670
  H      -2.127062     -7.794017      4.738538
  H      -1.558972     -6.679646      3.488735
  H      -4.421137     -7.725395      3.867187
  H      -3.363864     -8.056360      2.474675
  H      -7.413643     -5.711776      3.497919
  H      -6.254453     -6.708192      4.396431
  H      -5.895176     -5.387084      1.650068
  H      -5.897464     -7.142565      1.981844
  H      -2.799510     -4.000491      0.264091
  H      -4.541401     -4.049593      0.590099
  H      -2.360982     -5.997395      1.518337
  H      -3.784999     -6.389168      0.516160
  C      -3.340062     -2.107979      2.137033
  C      -2.168725     -1.378068      2.416958
  C      -2.169932      0.014079      2.414100
  C      -3.355131      0.677776      2.129866
  F      -3.356925      2.033634      2.139106
  C      -4.542683     -0.006343      1.837804
  C      -5.833504      0.668160      1.613187
  O      -6.861052      0.086295      1.290217
  C      -5.983048      2.194930      1.775968
  O      -6.096407      2.934492      0.829908
  C      -6.084252      2.678121      3.247730
  O      -5.666354      2.044349      4.170527
  Cl     -6.834085      4.276688      3.407563
  C      -4.508910     -1.411123      1.824670
  C      -6.575339     -3.926515      5.174630
  C      -7.116985     -4.558286      6.314736
  C      -7.881750     -3.849609      7.238453
  C      -8.111147     -2.497623      7.021867
  F      -8.879827     -1.815259      7.904589
  C      -7.609725     -1.837469      5.889870
  C      -7.889331     -0.426076      5.600036
  O      -7.821052      0.083199      4.486453
  C      -8.098723      0.601906      6.719479
  O      -7.340465      0.726528      7.650191
  C      -9.264684      1.581466      6.444425
  O     -10.316944      1.230898      6.001554
  Cl     -8.923685      3.245302      6.978925
  C      -6.852215     -2.576068      4.966359
  C      -3.219834     -5.973361      6.245394
  C      -3.079162     -4.924125      7.188071
  C      -3.626671     -5.007958      8.462249
  C      -4.311684     -6.161750      8.818420
  F      -4.850401     -6.239985     10.064411
  C      -4.446034     -7.246163      7.942671
  C      -5.199395     -8.466145      8.278494
  O      -5.275631     -9.444976      7.541666
  C      -5.967075     -8.567158      9.611014
  O      -5.650875     -9.331201     10.491769
  C      -7.253204     -7.709968      9.643958
  O      -7.617846     -7.049784      8.710533
  Cl     -8.135671     -7.807403     11.176272
  C      -3.878240     -7.143564      6.660628
  H      -1.259768     -1.926745      2.667467
  H      -1.271226      0.588224      2.638872
  H      -5.440751     -1.942200      1.622449
  H      -6.916361     -5.615028      6.497051
  H      -8.296470     -4.339332      8.119705
  H      -6.464887     -2.064029      4.084768
  H      -2.510277     -4.040410      6.903188
  H      -3.514606     -4.197991      9.182684
  H      -4.016458     -7.994333      5.994523
  N      -3.647939     -2.683448      5.081330
  N      -3.580759     -1.700395      5.654531
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469662755429
  N      -3.332169     -3.525105      2.265229
  C      -3.551712     -4.280190      1.025935
  C      -3.419718     -5.757931      1.346837
  N      -4.150640     -6.067574      2.607196
  C      -5.623333     -6.154819      2.393326
  C      -6.337472     -5.856862      3.700463
  N      -5.747961     -4.631796      4.272938
  Mo     -3.823371     -4.331372      4.002407
  N      -2.746960     -5.764513      4.944316
  C      -2.425349     -6.933957      4.119265
  C      -3.620145     -7.306635      3.246914
  H      -2.124556     -7.791781      4.742080
  H      -1.557948     -6.678092      3.490971
  H      -4.419309     -7.724780      3.872096
  H      -3.362773     -8.056286      2.479203
  H      -7.412395     -5.712814      3.503828
  H      -6.252170     -6.708071      4.402292
  H      -5.895551     -5.388158      1.654994
  H      -5.896675     -7.143512      1.987650
  H      -2.802329     -4.000712      0.265734
  H      -4.543913     -4.050790      0.592962
  H      -2.361444     -5.996761      1.520723
  H      -3.785965     -6.389814      0.519764
  C      -3.342661     -2.108135      2.137365
  C      -2.171219     -1.376772      2.415758
  C      -2.173821      0.014504      2.411421
  C      -3.359360      0.677188      2.127108
  F      -3.361954      2.033178      2.134817
  C      -4.546453     -0.008108      1.836585
  C      -5.837388      0.666191      1.611683
  O      -6.865344      0.083994      1.290620
  C      -5.986359      2.193240      1.771623
  O      -6.100737      2.931419      0.824580
  C      -6.084974      2.678358      3.242332
  O      -5.665097      2.045113      4.164210
  Cl     -6.834155      4.277302      3.402712
  C      -4.511984     -1.412411      1.825242
  C      -6.573852     -3.925489      5.178782
  C      -7.114143     -4.556224      6.319852
  C      -7.877917     -3.846454      7.243534
  C      -8.107394     -2.494454      7.025830
  F      -8.875034     -1.811281      7.908769
  C      -7.607277     -1.835451      5.892400
  C      -7.886400     -0.423990      5.600116
  O      -7.819804      0.083177      4.485567
  C      -8.093584      0.606136      6.717976
  O      -7.333581      0.732401      7.646883
  C      -9.260020      1.584857      6.443089
  O     -10.312906      1.232771      6.002577
  Cl     -8.918993      3.249687      6.973820
  C      -6.851144     -2.574957      4.968995
  C      -3.217319     -5.970362      6.248042
  C      -3.076576     -4.922331      7.192026
  C      -3.625470     -5.008780      8.465943
  C      -4.311800     -6.163123      8.819734
  F      -4.852195     -6.243515     10.064837
  C      -4.445619     -7.245703      7.941809
  C      -5.199703     -8.467151      8.270798
  O      -5.273348     -9.442730      7.529343
  C      -5.972257     -8.575319      9.599668
  O      -5.659326     -9.343513     10.477900
  C      -7.259165     -7.719005      9.630774
  O      -7.620115     -7.054445      8.698830
  Cl     -8.148660     -7.824787     11.158384
  C      -3.876371     -7.140328      6.661682
  H      -1.261489     -1.924205      2.666248
  H      -1.275413      0.589643      2.635060
  H      -5.443621     -1.944206      1.624126
  H      -6.913150     -5.612772      6.503034
  H      -8.291718     -4.335249      8.125756
  H      -6.464805     -2.063949      4.086267
  H      -2.507523     -4.038182      6.909021
  H      -3.513967     -4.200209      9.187982
  H      -4.014483     -7.989879      5.993938
  N      -3.646952     -2.684255      5.077134
  N      -3.576899     -1.697393      5.649712
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469699108450
  N      -3.332474     -3.525809      2.264409
  C      -3.554884     -4.279752      1.024551
  C      -3.422658     -5.757736      1.344358
  N      -4.152631     -6.068055      2.605097
  C      -5.625907     -6.154253      2.392221
  C      -6.339694     -5.856122      3.699738
  N      -5.749545     -4.631566      4.272423
  Mo     -3.824500     -4.332521      4.001760
  N      -2.747966     -5.765950      4.942107
  C      -2.426614     -6.935198      4.116171
  C      -3.621610     -7.307550      3.243253
  H      -2.125171     -7.792824      4.738871
  H      -1.559665     -6.678525      3.487535
  H      -4.420887     -7.726943      3.867522
  H      -3.364168     -8.056311      2.474751
  H      -7.414545     -5.711333      3.502930
  H      -6.255013     -6.707788      4.401119
  H      -5.897965     -5.387325      1.654185
  H      -5.900790     -7.142575      1.986584
  H      -2.806547     -3.999959      0.263422
  H      -4.547763     -4.049860      0.593356
  H      -2.364185     -5.995917      1.517744
  H      -3.788992     -6.389344      0.517080
  C      -3.342531     -2.108851      2.139718
  C      -2.172839     -1.378567      2.426621
  C      -2.174790      0.013115      2.427213
  C      -3.358666      0.677266      2.139183
  F      -3.360104      2.033075      2.150890
  C      -4.544720     -0.007032      1.840229
  C      -5.833753      0.668824      1.611039
  O      -6.862256      0.088351      1.287939
  C      -5.981356      2.195628      1.770896
  O      -6.083362      2.935205      0.823263
  C      -6.089580      2.681048      3.241017
  O      -5.672725      2.049985      4.166071
  Cl     -6.845417      4.278060      3.396704
  C      -4.510243     -1.411555      1.823761
  C      -6.573990     -3.923950      5.178469
  C      -7.112307     -4.552733      6.321623
  C      -7.874459     -3.840952      7.245085
  C      -8.104978     -2.489428      7.025355
  F      -8.870501     -1.804844      7.908898
  C      -7.607699     -1.832602      5.889706
  C      -7.888510     -0.422211      5.593559
  O      -7.824012      0.080871      4.477236
  C      -8.096553      0.611520      6.708566
  O      -7.335495      0.743245      7.635879
  C      -9.266915      1.584335      6.431958
  O     -10.318460      1.226247      5.992287
  Cl     -8.934716      3.251616      6.956944
  C      -6.851851     -2.574150      4.966961
  C      -3.215724     -5.973445      6.246864
  C      -3.071320     -4.927905      7.193065
  C      -3.617773     -5.016078      8.467790
  C      -4.304709     -6.169771      8.821215
  F      -4.843511     -6.251500     10.066812
  C      -4.442586     -7.250302      7.941262
  C      -5.200450     -8.468964      8.271301
  O      -5.283655     -9.442720      7.528493
  C      -5.966415     -8.576650      9.604406
  O      -5.650478     -9.345262     10.480954
  C      -7.252323     -7.718933      9.641798
  O      -7.613905     -7.049854      8.713646
  Cl     -8.139314     -7.830700     11.170192
  C      -3.876967     -7.143001      6.659361
  H      -1.264369     -1.927083      2.679306
  H      -1.277268      0.587073      2.657294
  H      -5.440784     -1.942466      1.615041
  H      -6.911089     -5.608928      6.506487
  H      -8.286472     -4.327794      8.129241
  H      -6.467066     -2.065154      4.082704
  H      -2.503593     -4.042816      6.909892
  H      -3.504478     -4.208625      9.190888
  H      -4.020518     -7.990213      5.989723
  N      -3.647314     -2.685390      5.076090
  N      -3.576314     -1.700106      5.647330
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469719181191
  N      -3.339405     -3.525143      2.270521
  C      -3.574711     -4.274456      1.029685
  C      -3.441230     -5.753941      1.342421
  N      -4.160071     -6.067474      2.608162
  C      -5.635506     -6.150722      2.407114
  C      -6.339197     -5.854358      3.720488
  N      -5.743296     -4.631569      4.291336
  Mo     -3.819912     -4.336725      4.009959
  N      -2.740569     -5.775153      4.938316
  C      -2.424096     -6.940308      4.105079
  C      -3.624917     -7.309537      3.237714
  H      -2.117920     -7.800348      4.722115
  H      -1.562089     -6.680505      3.470988
  H      -4.420169     -7.732596      3.864712
  H      -3.371738     -8.054945      2.464634
  H      -7.415196     -5.707886      3.531456
  H      -6.250380     -6.707462      4.419638
  H      -5.912265     -5.381759      1.672982
  H      -5.915736     -7.137426      2.001106
  H      -2.832891     -3.992421      0.262971
  H      -4.570736     -4.042103      0.607418
  H      -2.381324     -5.993608      1.504616
  H      -3.815852     -6.381564      0.515822
  C      -3.346328     -2.108275      2.149929
  C      -2.178281     -1.382053      2.451013
  C      -2.175722      0.010286      2.452775
  C      -3.354459      0.678390      2.151894
  F      -3.350373      2.034095      2.161782
  C      -4.540109     -0.002449      1.841038
  C      -5.824852      0.677321      1.601150
  O      -6.852771      0.100046      1.270097
  C      -5.969391      2.204306      1.762245
  O      -6.058300      2.946565      0.815352
  C      -6.090043      2.686742      3.232575
  O      -5.677269      2.056325      4.160234
  Cl     -6.854765      4.280301      3.386218
  C      -4.509113     -1.407102      1.823624
  C      -6.565500     -3.917813      5.195179
  C      -7.099924     -4.539018      6.344394
  C      -7.862062     -3.820470      7.262869
  C      -8.096910     -2.471382      7.032275
  F      -8.861225     -1.781246      7.912444
  C      -7.604425     -1.822922      5.890234
  C      -7.892360     -0.416845      5.578901
  O      -7.824592      0.075101      4.457610
  C      -8.113917      0.628164      6.678700
  O      -7.348666      0.784120      7.598631
  C      -9.303465      1.578409      6.399052
  O     -10.346122      1.199334      5.955830
  Cl     -9.006613      3.252871      6.920795
  C      -6.846159     -2.570395      4.973695
  C      -3.203255     -5.988921      6.244065
  C      -3.056381     -4.945903      7.192651
  C      -3.601622     -5.036130      8.467563
  C      -4.289527     -6.189261      8.819084
  F      -4.824761     -6.273766     10.066040
  C      -4.430040     -7.268198      7.936768
  C      -5.189536     -8.485683      8.268159
  O      -5.265723     -9.464061      7.531124
  C      -5.967205     -8.583031      9.596758
  O      -5.663887     -9.350970     10.478182
  C      -7.249876     -7.720045      9.619928
  O      -7.608183     -7.062672      8.682265
  Cl     -8.139499     -7.807890     11.148136
  C      -3.865207     -7.159095      6.654274
  H      -1.273954     -1.933263      2.712424
  H      -1.278927      0.581144      2.692959
  H      -5.439451     -1.934297      1.604709
  H      -6.897056     -5.593469      6.536906
  H      -8.271334     -4.300846      8.151819
  H      -6.463752     -2.067834      4.084956
  H      -2.488711     -4.060231      6.910770
  H      -3.486668     -4.230149      9.192131
  H      -4.010459     -8.004829      5.983055
  N      -3.632317     -2.691157      5.086752
  N      -3.555104     -1.708118      5.658148
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469739983554
  N      -3.340392     -3.526072      2.270138
  C      -3.581512     -4.272602      1.028970
  C      -3.448367     -5.752485      1.339423
  N      -4.166003     -6.067295      2.605467
  C      -5.641724     -6.148083      2.406190
  C      -6.344070     -5.852071      3.720389
  N      -5.746660     -4.630441      4.291183
  Mo     -3.822663     -4.338917      4.009342
  N      -2.743902     -5.778661      4.934197
  C      -2.429999     -6.943855      4.099792
  C      -3.631769     -7.310619      3.232820
  H      -2.124411     -7.804183      4.716600
  H      -1.568357     -6.684551      3.464944
  H      -4.427356     -7.733911      3.859347
  H      -3.379728     -8.055342      2.458679
  H      -7.420042     -5.704545      3.531887
  H      -6.255558     -6.706062      4.418531
  H      -5.918155     -5.378218      1.672907
  H      -5.924092     -7.134111      1.999955
  H      -2.841998     -3.990250      0.260192
  H      -4.578928     -4.038722      0.610999
  H      -2.388263     -5.992048      1.500718
  H      -3.823643     -6.379213      0.512460
  C      -3.344928     -2.109157      2.155233
  C      -2.178783     -1.386013      2.471305
  C      -2.174195      0.006156      2.482597
  C      -3.348919      0.678045      2.174897
  F      -3.343262      2.033468      2.195198
  C      -4.532315      0.000691      1.847557
  C      -5.812764      0.684278      1.598691
  O      -6.840768      0.110787      1.260717
  C      -5.954328      2.211524      1.755501
  O      -6.022880      2.953184      0.806344
  C      -6.100438      2.696679      3.222582
  O      -5.695916      2.072967      4.158401
  Cl     -6.879326      4.285229      3.360343
  C      -4.503462     -1.403934      1.821922
  C      -6.566346     -3.914486      5.195276
  C      -7.097737     -4.532456      6.347677
  C      -7.857474     -3.811048      7.265760
  C      -8.093782     -2.462753      7.031356
  F      -8.856555     -1.770395      7.911079
  C      -7.604994     -1.817988      5.885832
  C      -7.897215     -0.414754      5.567010
  O      -7.833296      0.070277      4.442617
  C      -8.121794      0.635845      6.661414
  O      -7.355906      0.802836      7.578727
  C      -9.318985      1.573659      6.378008
  O     -10.358483      1.181241      5.938182
  Cl     -9.039207      3.252272      6.891603
  C      -6.847986     -2.568288      4.970574
  C      -3.201866     -5.993976      6.241313
  C      -3.047265     -4.955081      7.192890
  C      -3.585815     -5.048385      8.470320
  C      -4.276087     -6.200292      8.821092
  F      -4.807537     -6.286946     10.069367
  C      -4.425145     -7.275126      7.934976
  C      -5.190347     -8.488803      8.265699
  O      -5.283492     -9.461391      7.522940
  C      -5.953474     -8.591177      9.602344
  O      -5.643118     -9.364418     10.476519
  C      -7.232478     -7.722921      9.644358
  O      -7.592806     -7.050944      8.717928
  Cl     -8.113535     -7.827734     11.176277
  C      -3.866960     -7.162912      6.649884
  H      -1.277571     -1.940041      2.737556
  H      -1.278922      0.573928      2.735394
  H      -5.432439     -1.928023      1.590303
  H      -6.895089     -5.586584      6.542226
  H      -8.264856     -4.288417      8.157268
  H      -6.468206     -2.068961      4.078823
  H      -2.479482     -4.069511      6.910764
  H      -3.465168     -4.245185      9.197058
  H      -4.020051     -8.005043      5.975870
  N      -3.631589     -2.694281      5.087356
  N      -3.552426     -1.711666      5.659357
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469754396328
  N      -3.341540     -3.525965      2.271044
  C      -3.586770     -4.270785      1.029800
  C      -3.454087     -5.751244      1.338358
  N      -4.170410     -6.066939      2.604807
  C      -5.646304     -6.146473      2.407288
  C      -6.346846     -5.851070      3.722542
  N      -5.747956     -4.630267      4.293340
  Mo     -3.824086     -4.340321      4.010383
  N      -2.745413     -5.781265      4.932020
  C      -2.433681     -6.946296      4.096591
  C      -3.636830     -7.311148      3.230938
  H      -2.128755     -7.807447      4.712553
  H      -1.572580     -6.688030      3.460564
  H      -4.432078     -7.733969      3.858194
  H      -3.386147     -8.055814      2.456243
  H      -7.422941     -5.702915      3.535263
  H      -6.257895     -6.705681      4.419856
  H      -5.923224     -5.375932      1.674873
  H      -5.929855     -7.131991      2.000565
  H      -2.849142     -3.988165      0.259306
  H      -4.585005     -4.035790      0.614534
  H      -2.393851     -5.991450      1.498051
  H      -3.830610     -6.376710      0.511009
  C      -3.344337     -2.108823      2.158439
  C      -2.178646     -1.388023      2.482513
  C      -2.171712      0.003836      2.497165
  C      -3.343414      0.678468      2.184384
  F      -3.335758      2.033803      2.208587
  C      -4.525978      0.003951      1.848511
  C      -5.803480      0.690914      1.594690
  O      -6.832314      0.120151      1.254323
  C      -5.941860      2.218974      1.746641
  O      -5.996713      2.959039      0.795411
  C      -6.107146      2.707072      3.210606
  O      -5.709111      2.088813      4.152662
  Cl     -6.895916      4.291868      3.335243
  C      -4.499800     -1.400773      1.820196
  C      -6.566385     -3.913244      5.197717
  C      -7.094836     -4.529355      6.352519
  C      -7.852880     -3.806291      7.270592
  C      -8.090388     -2.458686      7.033777
  F      -8.851376     -1.764777      7.913885
  C      -7.604752     -1.816233      5.885660
  C      -7.899947     -0.415010      5.563130
  O      -7.838020      0.066631      4.436929
  C      -8.126666      0.638248      6.654545
  O      -7.360415      0.812586      7.570329
  C      -9.329428      1.566749      6.369098
  O     -10.368034      1.168683      5.932342
  Cl     -9.055889      3.248198      6.877062
  C      -6.849318     -2.568006      4.970558
  C      -3.199588     -5.997144      6.240307
  C      -3.041505     -4.959120      7.192192
  C      -3.578561     -5.052215      8.470403
  C      -4.270503     -6.203318      8.821202
  F      -4.801249     -6.289431     10.069808
  C      -4.422006     -7.277587      7.934558
  C      -5.188597     -8.490120      8.264957
  O      -5.287764     -9.460376      7.519902
  C      -5.946004     -8.595930      9.604654
  O      -5.629087     -9.368160     10.477241
  C      -7.229290     -7.733566      9.651459
  O      -7.594396     -7.060358      8.727827
  Cl     -8.105671     -7.845818     11.185480
  C      -3.865567     -7.165288      6.648910
  H      -1.279743     -1.943827      2.752842
  H      -1.276980      0.569387      2.756741
  H      -5.428899     -1.921951      1.582717
  H      -6.891710     -5.583142      6.548367
  H      -8.258280     -4.281857      8.163958
  H      -6.472102     -2.070552      4.076385
  H      -2.472555     -4.074433      6.909702
  H      -3.455633     -4.249548      9.197315
  H      -4.020145     -8.006813      5.974512
  N      -3.630218     -2.696379      5.089737
  N      -3.548778     -1.713832      5.662602
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469765452835
  N      -3.346449     -3.526557      2.274983
  C      -3.605888     -4.266563      1.034078
  C      -3.472266     -5.748084      1.336828
  N      -4.180044     -6.067174      2.607264
  C      -5.657172     -6.145010      2.419508
  C      -6.348370     -5.850368      3.739784
  N      -5.744390     -4.630335      4.307073
  Mo     -3.821737     -4.345030      4.015740
  N      -2.740914     -5.790309      4.926818
  C      -2.435086     -6.953021      4.085737
  C      -3.643716     -7.313855      3.226400
  H      -2.127387     -7.816537      4.696990
  H      -1.577623     -6.693528      3.445360
  H      -4.435528     -7.738014      3.857012
  H      -3.397868     -8.056225      2.447895
  H      -7.425632     -5.701637      3.560035
  H      -6.254908     -6.705417      4.435977
  H      -5.938466     -5.373164      1.690106
  H      -5.943998     -7.129817      2.013364
  H      -2.875869     -3.982672      0.256909
  H      -4.608100     -4.029448      0.629870
  H      -2.411102     -5.989733      1.488179
  H      -3.855299     -6.370690      0.510328
  C      -3.345581     -2.109123      2.168374
  C      -2.181948     -1.392753      2.511378
  C      -2.171580     -0.001518      2.533294
  C      -3.337131      0.678056      2.208291
  F      -3.326854      2.033268      2.239716
  C      -4.516465      0.008491      1.852815
  C      -5.788975      0.699830      1.585865
  O      -6.815460      0.133030      1.232021
  C      -5.926309      2.228087      1.737287
  O      -5.961033      2.969730      0.786459
  C      -6.121132      2.714528      3.198079
  O      -5.732088      2.101214      4.146767
  Cl     -6.927146      4.291616      3.308212
  C      -4.494180     -1.395986      1.818083
  C      -6.559761     -3.907148      5.209520
  C      -7.083884     -4.514728      6.370711
  C      -7.840454     -3.785357      7.285017
  C      -8.081111     -2.440112      7.037242
  F      -8.841535     -1.740326      7.913270
  C      -7.599242     -1.806109      5.882592
  C      -7.900774     -0.409413      5.546650
  O      -7.836768      0.062572      4.416231
  C      -8.141114      0.652735      6.625361
  O      -7.372372      0.849898      7.534655
  C      -9.361065      1.558837      6.336837
  O     -10.390226      1.138365      5.898744
  Cl     -9.122313      3.246113      6.843561
  C      -6.845021     -2.563916      4.972015
  C      -3.189925     -6.009177      6.236403
  C      -3.026289     -4.973867      7.190270
  C      -3.559058     -5.069046      8.470193
  C      -4.254053     -6.219115      8.819244
  F      -4.782448     -6.306721     10.068767
  C      -4.411238     -7.290242      7.930000
  C      -5.183423     -8.499992      8.256326
  O      -5.286697     -9.467573      7.508162
  C      -5.941717     -8.606566      9.594942
  O      -5.631818     -9.385975     10.463682
  C      -7.217150     -7.731973      9.645822
  O      -7.574084     -7.047726      8.726794
  Cl     -8.098190     -7.849117     11.177031
  C      -3.856851     -7.176898      6.643770
  H      -1.288233     -1.952287      2.791022
  H      -1.278750      0.560124      2.807542
  H      -5.422223     -1.912393      1.566571
  H      -6.879029     -5.566863      6.573806
  H      -8.242946     -4.254001      8.183374
  H      -6.471662     -2.073612      4.072008
  H      -2.455258     -4.090421      6.908310
  H      -3.431113     -4.269008      9.199045
  H      -4.015002     -8.016251      5.967671
  N      -3.618528     -2.704173      5.098819
  N      -3.530338     -1.722102      5.674555
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469774536274
  N      -3.345795     -3.525530      2.275434
  C      -3.605395     -4.265455      1.034509
  C      -3.471798     -5.747228      1.336500
  N      -4.180241     -6.066968      2.606255
  C      -5.657242     -6.145309      2.417728
  C      -6.349008     -5.851572      3.737897
  N      -5.745391     -4.631721      4.305984
  Mo     -3.823061     -4.345118      4.015889
  N      -2.742287     -5.790507      4.926337
  C      -2.435874     -6.953003      4.085410
  C      -3.644151     -7.313702      3.225528
  H      -2.128650     -7.816830      4.696476
  H      -1.578132     -6.693641      3.445382
  H      -4.436168     -7.737849      3.855869
  H      -3.397857     -8.055966      2.447071
  H      -7.426256     -5.703077      3.557915
  H      -6.255557     -6.706842      4.433799
  H      -5.938612     -5.373167      1.688655
  H      -5.943491     -7.129927      2.010731
  H      -2.875612     -3.981421      0.257112
  H      -4.607558     -4.028494      0.629995
  H      -2.410724     -5.989043      1.488119
  H      -3.854442     -6.369212      0.509343
  C      -3.345211     -2.108123      2.168219
  C      -2.181552     -1.392083      2.512289
  C      -2.170251     -0.000885      2.533231
  C      -3.334970      0.679255      2.206454
  F      -3.324145      2.034532      2.237679
  C      -4.514300      0.010191      1.850329
  C      -5.786356      0.702395      1.583713
  O      -6.814190      0.136067      1.232920
  C      -5.922118      2.231213      1.731419
  O      -5.953231      2.971121      0.779145
  C      -6.121249      2.720233      3.190711
  O      -5.734039      2.109181      4.141590
  Cl     -6.928748      4.296990      3.295690
  C      -4.492936     -1.394479      1.816326
  C      -6.560980     -3.909535      5.208987
  C      -7.083328     -4.517628      6.370628
  C      -7.838827     -3.788580      7.286086
  C      -8.079592     -2.443339      7.039095
  F      -8.838331     -1.743672      7.916664
  C      -7.599449     -1.808950      5.883900
  C      -7.900292     -0.411766      5.550253
  O      -7.836788      0.062114      4.420437
  C      -8.139733      0.648607      6.630747
  O      -7.371231      0.844166      7.540398
  C      -9.360416      1.553331      6.343682
  O     -10.391277      1.133767      5.909145
  Cl     -9.116946      3.241713      6.846582
  C      -6.846954     -2.566509      4.971719
  C      -3.190682     -6.008792      6.236346
  C      -3.026846     -4.972248      7.188920
  C      -3.560619     -5.065356      8.468682
  C      -4.256244     -6.214750      8.818842
  F      -4.785006     -6.300596     10.068347
  C      -4.413043     -7.287189      7.931142
  C      -5.185323     -8.496336      8.258630
  O      -5.291527     -9.463687      7.510441
  C      -5.940482     -8.603709      9.598850
  O      -5.623027     -9.376951     10.470202
  C      -7.223307     -7.739345      9.647942
  O      -7.586012     -7.060438      8.727429
  Cl     -8.101171     -7.858102     11.180746
  C      -3.858005     -7.175764      6.644894
  H      -1.288414     -1.951753      2.793439
  H      -1.277392      0.560313      2.808301
  H      -5.421410     -1.909994      1.564512
  H      -6.877786     -5.569737      6.573102
  H      -8.240074     -4.257452      8.184856
  H      -6.475173     -2.076228      4.071112
  H      -2.454580     -4.089826      6.906299
  H      -3.432606     -4.264339      9.196435
  H      -4.015156     -8.016197      5.969879
  N      -3.620276     -2.704836      5.099886
  N      -3.530456     -1.722720      5.674208
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469779925798
  N      -3.347623     -3.524623      2.277699
  C      -3.612025     -4.263182      1.036779
  C      -3.477406     -5.745289      1.336472
  N      -4.182986     -6.066710      2.607444
  C      -5.660503     -6.145089      2.421819
  C      -6.349493     -5.851796      3.743576
  N      -5.744144     -4.632382      4.311034
  Mo     -3.822444     -4.346268      4.018493
  N      -2.740445     -5.793194      4.925115
  C      -2.435545     -6.954587      4.082217
  C      -3.645362     -7.314246      3.223829
  H      -2.127198     -7.819253      4.691569
  H      -1.578843     -6.694214      3.441224
  H      -4.436177     -7.739505      3.854975
  H      -3.400403     -8.055211      2.443754
  H      -7.427058     -5.702734      3.566063
  H      -6.254894     -6.707276      4.439051
  H      -5.943430     -5.372506      1.693832
  H      -5.947493     -7.129440      2.014782
  H      -2.885148     -3.978409      0.256928
  H      -4.615678     -4.026168      0.636067
  H      -2.415980     -5.987233      1.485341
  H      -3.861910     -6.366181      0.509331
  C      -3.346273     -2.107293      2.171913
  C      -2.183575     -1.392492      2.521742
  C      -2.170857     -0.001194      2.543500
  C      -3.333401      0.680456      2.211664
  F      -3.321013      2.035686      2.242970
  C      -4.511849      0.012590      1.850212
  C      -5.782384      0.705824      1.579061
  O      -6.809998      0.140348      1.226078
  C      -5.917348      2.234688      1.724988
  O      -5.942783      2.974189      0.772131
  C      -6.122298      2.724857      3.183048
  O      -5.737228      2.115264      4.135775
  Cl     -6.932781      4.300613      3.283727
  C      -4.491684     -1.392138      1.815535
  C      -6.559142     -3.908141      5.212937
  C      -7.079979     -4.513121      6.376726
  C      -7.834991     -3.781783      7.290846
  C      -8.076515     -2.437357      7.040223
  F      -8.834680     -1.735522      7.916503
  C      -7.597788     -1.805967      5.882769
  C      -7.899831     -0.409623      5.545773
  O      -7.834974      0.062129      4.415156
  C      -8.143325      0.653002      6.623045
  O      -7.373917      0.855439      7.530448
  C      -9.369510      1.550359      6.335586
  O     -10.397436      1.125478      5.899397
  Cl     -9.136232      3.240283      6.838690
  C      -6.845918     -2.565901      4.971843
  C      -3.188374     -6.012787      6.235194
  C      -3.023684     -4.976999      7.188566
  C      -3.557882     -5.070453      8.468099
  C      -4.253716     -6.219759      8.817734
  F      -4.782421     -6.306139     10.067251
  C      -4.410746     -7.291810      7.929757
  C      -5.183004     -8.501033      8.257249
  O      -5.290715     -9.467689      7.508307
  C      -5.937397     -8.608598      9.597812
  O      -5.618868     -9.381007     10.469470
  C      -7.221030     -7.745422      9.647117
  O      -7.584087     -7.066488      8.726894
  Cl     -8.098789     -7.865069     11.179945
  C      -3.855922     -7.179927      6.643219
  H      -1.292243     -1.953346      2.806226
  H      -1.278543      0.558881      2.822597
  H      -5.419723     -1.906229      1.559227
  H      -6.873577     -5.564535      6.581893
  H      -8.235167     -4.248194      8.191349
  H      -6.475668     -2.078395      4.069206
  H      -2.450770     -4.094809      6.906491
  H      -3.429588     -4.269846      9.196285
  H      -4.013265     -8.020009      5.967748
  N      -3.616761     -2.707571      5.104030
  N      -3.523521     -1.726233      5.678067
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469784311557
  N      -3.349034     -3.523504      2.279797
  C      -3.617158     -4.261281      1.039048
  C      -3.481117     -5.743506      1.336993
  N      -4.184755     -6.066633      2.608774
  C      -5.662555     -6.145656      2.425011
  C      -6.349607     -5.852834      3.747890
  N      -5.743022     -4.633697      4.314922
  Mo     -3.821922     -4.347059      4.020679
  N      -2.738332     -5.795207      4.924232
  C      -2.434834     -6.955899      4.079942
  C      -3.645738     -7.314783      3.222731
  H      -2.125660     -7.821169      4.688052
  H      -1.578774     -6.694738      3.438415
  H      -4.435570     -7.740929      3.854551
  H      -3.401899     -8.054626      2.441277
  H      -7.427411     -5.703299      3.572381
  H      -6.254102     -6.708438      4.443076
  H      -5.946829     -5.372866      1.697785
  H      -5.949512     -7.129990      2.018004
  H      -2.892890     -3.975748      0.257070
  H      -4.622275     -4.024794      0.641730
  H      -2.419407     -5.985192      1.484177
  H      -3.866568     -6.363754      0.509782
  C      -3.347303     -2.106286      2.174760
  C      -2.185406     -1.392042      2.528655
  C      -2.171665     -0.000755      2.550523
  C      -3.332493      0.681896      2.214629
  F      -3.319035      2.037069      2.245608
  C      -4.510104      0.014730      1.849302
  C      -5.779415      0.708560      1.574279
  O      -6.806861      0.143656      1.219666
  C      -5.913969      2.237349      1.718396
  O      -5.934956      2.976259      0.764856
  C      -6.123586      2.728856      3.175261
  O      -5.740018      2.120494      4.129402
  Cl     -6.936002      4.304011      3.272235
  C      -4.490874     -1.390082      1.814559
  C      -6.557812     -3.907878      5.215605
  C      -7.077487     -4.510305      6.381065
  C      -7.832109     -3.777354      7.294236
  C      -8.074112     -2.433593      7.040687
  F      -8.831742     -1.729929      7.915919
  C      -7.596145     -1.804483      5.881585
  C      -7.898089     -0.408353      5.543342
  O      -7.831444      0.063272      4.412867
  C      -8.144952      0.654558      6.619846
  O      -7.374768      0.861638      7.525500
  C      -9.375840      1.545681      6.333084
  O     -10.401145      1.115327      5.896126
  Cl     -9.152074      3.236449      6.838037
  C      -6.845215     -2.566312      4.971326
  C      -3.186661     -6.015542      6.234143
  C      -3.020637     -4.980581      7.188318
  C      -3.554600     -5.074426      8.467877
  C      -4.251379     -6.223229      8.816996
  F      -4.780224     -6.309796     10.066482
  C      -4.409587     -7.294555      7.928589
  C      -5.183807     -8.502839      8.255171
  O      -5.293668     -9.468492      7.505175
  C      -5.937385     -8.610688      9.595860
  O      -5.618646     -9.383213     10.467352
  C      -7.220398     -7.746654      9.646091
  O      -7.581530     -7.064774      8.727386
  Cl     -8.100476     -7.870038     11.177352
  C      -3.854753     -7.182559      6.641903
  H      -1.295451     -1.953784      2.815702
  H      -1.279753      0.558594      2.832358
  H      -5.418450     -1.903221      1.554659
  H      -6.870173     -5.561154      6.588351
  H      -8.231400     -4.241812      8.196139
  H      -6.476287     -2.081169      4.066842
  H      -2.446648     -4.098951      6.906767
  H      -3.425423     -4.274436      9.196601
  H      -4.013158     -8.022024      5.965911
  N      -3.613946     -2.710239      5.107794
  N      -3.517328     -1.729534      5.681923
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469786284718
  N      -3.350793     -3.522495      2.282067
  C      -3.621550     -4.259471      1.041332
  C      -3.484582     -5.741776      1.337827
  N      -4.186586     -6.066102      2.610278
  C      -5.664579     -6.145151      2.428153
  C      -6.349996     -5.852701      3.751919
  N      -5.742143     -4.634011      4.318730
  Mo     -3.821391     -4.347516      4.022898
  N      -2.736622     -5.796930      4.923956
  C      -2.434768     -6.957000      4.078299
  C      -3.646756     -7.314878      3.222207
  H      -2.125126     -7.822832      4.685389
  H      -1.579302     -6.695491      3.436113
  H      -4.435813     -7.741606      3.854632
  H      -3.404089     -8.053917      2.439642
  H      -7.427928     -5.702458      3.577976
  H      -6.253955     -6.708572      4.446701
  H      -5.949783     -5.372149      1.701533
  H      -5.951781     -7.129425      2.021201
  H      -2.899059     -3.973206      0.258000
  H      -4.627673     -4.023073      0.646582
  H      -2.422641     -5.983339      1.483584
  H      -3.870915     -6.361456      0.510595
  C      -3.348266     -2.105388      2.177643
  C      -2.186847     -1.391696      2.534286
  C      -2.172174     -0.000441      2.555868
  C      -3.331616      0.682990      2.216721
  F      -3.317066      2.038108      2.246907
  C      -4.508763      0.016439      1.848713
  C      -5.776850      0.710854      1.569959
  O      -6.803828      0.146458      1.213012
  C      -5.910915      2.239635      1.712866
  O      -5.928918      2.978089      0.758860
  C      -6.123584      2.731940      3.168933
  O      -5.741186      2.124141      4.123923
  Cl     -6.936908      4.306726      3.263826
  C      -4.490450     -1.388375      1.814572
  C      -6.556868     -3.906545      5.218102
  C      -7.076334     -4.506898      6.384652
  C      -7.831040     -3.772490      7.296584
  C      -8.073196     -2.429203      7.040496
  F      -8.830965     -1.724024      7.914388
  C      -7.595253     -1.802066      5.880286
  C      -7.897345     -0.406364      5.540075
  O      -7.829107      0.064453      4.409433
  C      -8.147424      0.657379      6.615147
  O      -7.376634      0.869348      7.519174
  C      -9.382315      1.543193      6.328317
  O     -10.404878      1.108457      5.889201
  Cl     -9.167847      3.234249      6.835916
  C      -6.844439     -2.565486      4.971247
  C      -3.185402     -6.018308      6.233534
  C      -3.018433     -4.984529      7.188858
  C      -3.551687     -5.079552      8.468565
  C      -4.248907     -6.228320      8.816792
  F      -4.777296     -6.315969     10.066403
  C      -4.408062     -7.298610      7.927312
  C      -5.182742     -8.506912      8.253125
  O      -5.293480     -9.471646      7.502125
  C      -5.935690     -8.615494      9.594079
  O      -5.617596     -9.389821     10.464267
  C      -7.216947     -7.749219      9.646707
  O      -7.577243     -7.064694      8.729602
  Cl     -8.096759     -7.874280     11.177989
  C      -3.853769     -7.185478      6.640480
  H      -1.297993     -1.954173      2.823347
  H      -1.280525      0.558330      2.839658
  H      -5.417669     -1.900833      1.552092
  H      -6.868855     -5.557379      6.593638
  H      -8.230291     -4.235380      8.199318
  H      -6.475907     -2.082219      4.065562
  H      -2.443932     -4.102987      6.908105
  H      -3.421752     -4.280472      9.198162
  H      -4.012849     -8.024199      5.963737
  N      -3.610826     -2.712154      5.111256
  N      -3.511897     -1.731915      5.685986
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469787856314
  N      -3.352186     -3.521717      2.283721
  C      -3.623755     -4.258413      1.042942
  C      -3.485985     -5.740697      1.338787
  N      -4.187364     -6.065771      2.611418
  C      -5.665370     -6.144965      2.429962
  C      -6.350078     -5.852833      3.754116
  N      -5.741656     -4.634438      4.320933
  Mo     -3.821025     -4.347672      4.024324
  N      -2.735115     -5.797749      4.924062
  C      -2.434560     -6.957587      4.077677
  C      -3.647196     -7.314839      3.222310
  H      -2.124824     -7.823694      4.684334
  H      -1.579450     -6.696182      3.434965
  H      -4.435851     -7.741808      3.855079
  H      -3.405255     -8.053562      2.439215
  H      -7.428042     -5.702131      3.580895
  H      -6.253797     -6.708925      4.448591
  H      -5.951109     -5.371995      1.703534
  H      -5.952526     -7.129304      2.023119
  H      -2.902048     -3.971479      0.259158
  H      -4.630366     -4.022240      0.649355
  H      -2.423887     -5.981805      1.484186
  H      -3.872297     -6.360234      0.511438
  C      -3.349176     -2.104684      2.179356
  C      -2.187934     -1.391077      2.536687
  C      -2.172757      0.000134      2.557417
  C      -3.331549      0.683771      2.216609
  F      -3.316353      2.038855      2.245725
  C      -4.508611      0.017390      1.847882
  C      -5.775903      0.712203      1.566936
  O      -6.802687      0.148108      1.208824
  C      -5.909411      2.241066      1.708952
  O      -5.926309      2.979032      0.754529
  C      -6.123012      2.734090      3.164555
  O      -5.741134      2.126461      4.119887
  Cl     -6.936096      4.308933      3.258674
  C      -4.490831     -1.387444      1.814847
  C      -6.556480     -3.906033      5.219369
  C      -7.076068     -4.505372      6.386424
  C      -7.830739     -3.770134      7.297666
  C      -8.072692     -2.427029      7.040336
  F      -8.830383     -1.720973      7.913627
  C      -7.594604     -1.800915      5.879643
  C      -7.896358     -0.405357      5.538732
  O      -7.827140      0.065399      4.408183
  C      -8.148141      0.658301      6.613789
  O      -7.376930      0.873049      7.516822
  C      -9.385689      1.540537      6.327240
  O     -10.406298      1.102986      5.886221
  Cl     -9.177871      3.231196      6.838164
  C      -6.843915     -2.565253      4.971254
  C      -3.184340     -6.019757      6.233319
  C      -3.016524     -4.986948      7.189549
  C      -3.549193     -5.082799      8.469410
  C      -4.247085     -6.231374      8.816932
  F      -4.775225     -6.319681     10.066594
  C      -4.407261     -7.300767      7.926444
  C      -5.183118     -8.508565      8.251414
  O      -5.294557     -9.472736      7.499873
  C      -5.936047     -8.617427      9.592444
  O      -5.618820     -9.393233     10.461662
  C      -7.216012     -7.749478      9.646426
  O      -7.575477     -7.063119      8.730330
  Cl     -8.096011     -7.875702     11.177448
  C      -3.853249     -7.186831      6.639653
  H      -1.299553     -1.953808      2.826756
  H      -1.281182      0.558747      2.841734
  H      -5.417899     -1.899716      1.551504
  H      -6.868797     -5.555742      6.596206
  H      -8.230122     -4.232208      8.200770
  H      -6.475418     -2.083030      4.064912
  H      -2.441736     -4.105406      6.909387
  H      -3.418581     -4.284417      9.199657
  H      -4.013267     -8.024864      5.962299
  N      -3.608657     -2.713270      5.113446
  N      -3.508413     -1.733355      5.688775
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469788925461
  N      -3.353668     -3.521189      2.285150
  C      -3.625312     -4.257609      1.044199
  C      -3.487120     -5.739910      1.339583
  N      -4.188108     -6.065469      2.612254
  C      -5.666111     -6.144620      2.431302
  C      -6.350329     -5.852746      3.755741
  N      -5.741563     -4.634578      4.322585
  Mo     -3.820931     -4.347852      4.025480
  N      -2.734169     -5.798390      4.924300
  C      -2.434594     -6.957989      4.077263
  C      -3.647789     -7.314731      3.222510
  H      -2.124768     -7.824339      4.683529
  H      -1.579877     -6.696714      3.433981
  H      -4.436179     -7.741846      3.855495
  H      -3.406328     -8.053314      2.439112
  H      -7.428315     -5.701825      3.582913
  H      -6.253849     -6.709039      4.449936
  H      -5.952219     -5.371681      1.704993
  H      -5.953355     -7.128981      2.024530
  H      -2.903829     -3.970122      0.260429
  H      -4.632058     -4.021416      0.651001
  H      -2.424902     -5.980652      1.484760
  H      -3.873351     -6.359341      0.512123
  C      -3.350012     -2.104167      2.180689
  C      -2.188642     -1.390830      2.538071
  C      -2.172864      0.000337      2.557830
  C      -3.331167      0.684214      2.215983
  F      -3.315293      2.039310      2.243970
  C      -4.508425      0.018134      1.847240
  C      -5.775039      0.713550      1.564917
  O      -6.801745      0.149857      1.205951
  C      -5.907810      2.242621      1.706401
  O      -5.924049      2.980282      0.751762
  C      -6.121865      2.735964      3.161779
  O      -5.740646      2.128201      4.117308
  Cl     -6.934340      4.310975      3.255618
  C      -4.491299     -1.386712      1.815337
  C      -6.556447     -3.905420      5.220322
  C      -7.076322     -4.504057      6.387687
  C      -7.830925     -3.768066      7.298335
  C      -8.072535     -2.425043      7.040142
  F      -8.830156     -1.718320      7.913014
  C      -7.594240     -1.799695      5.879149
  C      -7.895808     -0.404365      5.537359
  O      -7.825858      0.065990      4.406695
  C      -8.149133      0.659437      6.611996
  O      -7.377701      0.876658      7.514251
  C      -9.389004      1.538595      6.325634
  O     -10.407903      1.098861      5.882732
  Cl     -9.186751      3.228831      6.839562
  C      -6.843574     -2.564788      4.971395
  C      -3.183433     -6.020957      6.233386
  C      -3.015180     -4.988853      7.190274
  C      -3.547383     -5.085378      8.470278
  C      -4.245603     -6.233953      8.817255
  F      -4.773313     -6.322943     10.067018
  C      -4.406377     -7.302682      7.925933
  C      -5.182650     -8.510324      8.250330
  O      -5.294526     -9.474087      7.498379
  C      -5.935599     -8.619582      9.591466
  O      -5.618873     -9.396540     10.459839
  C      -7.214868     -7.750709      9.646516
  O      -7.574474     -7.063719      8.730899
  Cl     -8.093931     -7.876916     11.178002
  C      -3.852676     -7.188002      6.639173
  H      -1.300611     -1.953744      2.828865
  H      -1.281184      0.558752      2.842202
  H      -5.418460     -1.898783      1.551959
  H      -6.869500     -5.554404      6.597994
  H      -8.230583     -4.229503      8.201649
  H      -6.474888     -2.083321      4.064684
  H      -2.440360     -4.107182      6.910575
  H      -3.416304     -4.287513      9.200997
  H      -4.013128     -8.025627      5.961428
  N      -3.607091     -2.713994      5.115088
  N      -3.506089     -1.734320      5.690927
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469790119159
  N      -3.355166     -3.520907      2.286256
  C      -3.626141     -4.257169      1.045041
  C      -3.487615     -5.739493      1.340230
  N      -4.188522     -6.065429      2.612781
  C      -5.666497     -6.144630      2.432046
  C      -6.350519     -5.852939      3.756637
  N      -5.741783     -4.634837      4.323461
  Mo     -3.821033     -4.348148      4.026236
  N      -2.733409     -5.798772      4.924556
  C      -2.434492     -6.958212      4.077070
  C      -3.648085     -7.314714      3.222788
  H      -2.124531     -7.824726      4.683037
  H      -1.580156     -6.697036      3.433255
  H      -4.436332     -7.741932      3.855861
  H      -3.406813     -8.053295      2.439300
  H      -7.428534     -5.702125      3.583881
  H      -6.253830     -6.709352      4.450652
  H      -5.952852     -5.371789      1.705732
  H      -5.953784     -7.129026      2.025350
  H      -2.904453     -3.969188      0.261651
  H      -4.632777     -4.020987      0.651558
  H      -2.425295     -5.979753      1.485477
  H      -3.873487     -6.358965      0.512637
  C      -3.350925     -2.103841      2.181552
  C      -2.189252     -1.390759      2.538331
  C      -2.173001      0.000390      2.557157
  C      -3.331095      0.684388      2.214990
  F      -3.314757      2.039532      2.242060
  C      -4.508693      0.018556      1.846845
  C      -5.774880      0.714563      1.563968
  O      -6.801665      0.151240      1.204747
  C      -5.906883      2.243895      1.705138
  O      -5.923348      2.981312      0.750360
  C      -6.120287      2.737484      3.160511
  O      -5.739636      2.129329      4.116031
  Cl     -6.931337      4.313092      3.254537
  C      -4.492117     -1.386315      1.815997
  C      -6.556639     -3.905186      5.220768
  C      -7.076873     -4.503369      6.388299
  C      -7.831168     -3.766684      7.298603
  C      -8.072166     -2.423622      7.040011
  F      -8.829504     -1.716373      7.912777
  C      -7.593650     -1.798779      5.878864
  C      -7.894905     -0.403599      5.536437
  O      -7.824346      0.066361      4.405636
  C      -8.149454      0.660243      6.610812
  O      -7.377919      0.879354      7.512527
  C      -9.391433      1.536586      6.324801
  O     -10.408737      1.095069      5.879938
  Cl     -9.194095      3.226239      6.842117
  C      -6.843217     -2.564554      4.971487
  C      -3.182425     -6.021668      6.233598
  C      -3.013899     -4.989985      7.190871
  C      -3.545936     -5.086811      8.470951
  C      -4.244461     -6.235339      8.817605
  F      -4.772011     -6.324639     10.067381
  C      -4.405631     -7.303652      7.925752
  C      -5.182529     -8.510923      8.249629
  O      -5.295043     -9.474404      7.497411
  C      -5.935609     -8.620471      9.590793
  O      -5.619049     -9.397910     10.458756
  C      -7.214883     -7.751505      9.646140
  O      -7.574714     -7.064514      8.730607
  Cl     -8.093384     -7.877631     11.177882
  C      -3.852021     -7.188616      6.639056
  H      -1.301348     -1.953707      2.829441
  H      -1.281113      0.558691      2.841101
  H      -5.419507     -1.898305      1.553291
  H      -6.870678     -5.553777      6.598888
  H      -8.231103     -4.227612      8.202058
  H      -6.474266     -2.083631      4.064570
  H      -2.439139     -4.108178      6.911448
  H      -3.414561     -4.289206      9.201890
  H      -4.012848     -8.026010      5.961119
  N      -3.606268     -2.714545      5.116113
  N      -3.504848     -1.735062      5.692265
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469791427869
  N      -3.357002     -3.520748      2.287315
  C      -3.627094     -4.256791      1.045741
  C      -3.488286     -5.739183      1.340678
  N      -4.189053     -6.065560      2.613124
  C      -5.667038     -6.144842      2.432623
  C      -6.350905     -5.853290      3.757370
  N      -5.742346     -4.635149      4.324088
  Mo     -3.821430     -4.348665      4.026914
  N      -2.732909     -5.799194      4.924720
  C      -2.434414     -6.958419      4.076773
  C      -3.648365     -7.314829      3.222915
  H      -2.124134     -7.825110      4.682330
  H      -1.580505     -6.697123      3.432453
  H      -4.436464     -7.742226      3.856033
  H      -3.407131     -8.053359      2.439339
  H      -7.428981     -5.702834      3.584613
  H      -6.253932     -6.709772      4.451265
  H      -5.953604     -5.372046      1.706344
  H      -5.954415     -7.129234      2.025955
  H      -2.905057     -3.968355      0.262843
  H      -4.633527     -4.020603      0.651728
  H      -2.425860     -5.979009      1.485872
  H      -3.873888     -6.358669      0.512970
  C      -3.351961     -2.103600      2.182331
  C      -2.189785     -1.391044      2.538407
  C      -2.172829      0.000112      2.556400
  C      -3.330670      0.684446      2.214147
  F      -3.313672      2.039662      2.240331
  C      -4.508749      0.019096      1.846741
  C      -5.774513      0.715886      1.563593
  O      -6.801465      0.153104      1.204177
  C      -5.905590      2.245483      1.704714
  O      -5.922341      2.982832      0.749939
  C      -6.118033      2.739139      3.160240
  O      -5.738293      2.130306      4.115689
  Cl     -6.926966      4.315773      3.254561
  C      -4.492962     -1.385810      1.816777
  C      -6.557069     -3.905013      5.221063
  C      -7.077759     -4.502626      6.388743
  C      -7.831610     -3.765095      7.298719
  C      -8.071784     -2.421962      7.039746
  F      -8.828709     -1.714069      7.912419
  C      -7.592933     -1.797684      5.878444
  C      -7.893857     -0.402673      5.535157
  O      -7.822431      0.066683      4.404139
  C      -8.150098      0.661392      6.608843
  O      -7.378523      0.882727      7.509967
  C      -9.394682      1.534267      6.323359
  O     -10.410081      1.090450      5.876437
  Cl     -9.203106      3.223423      6.844318
  C      -6.842891     -2.564295      4.971447
  C      -3.181377     -6.022357      6.233860
  C      -3.012639     -4.990912      7.191339
  C      -3.544572     -5.087873      8.471486
  C      -4.243268     -6.236371      8.817985
  F      -4.770698     -6.325852     10.067773
  C      -4.404683     -7.304437      7.925856
  C      -5.182040     -8.511370      8.249374
  O      -5.295569     -9.474508      7.496816
  C      -5.934897     -8.621333      9.590672
  O      -5.617987     -9.398763     10.458455
  C      -7.214656     -7.752849      9.646185
  O      -7.574891     -7.066051      8.730693
  Cl     -8.092606     -7.879171     11.178185
  C      -3.851185     -7.189254      6.639129
  H      -1.302044     -1.954141      2.829699
  H      -1.280574      0.558127      2.839760
  H      -5.420710     -1.897575      1.554914
  H      -6.872316     -5.553113      6.599649
  H      -8.231880     -4.225388      8.202352
  H      -6.473617     -2.083971      4.064352
  H      -2.437929     -4.109014      6.912068
  H      -3.412953     -4.290388      9.202503
  H      -4.012241     -8.026557      5.961134
  N      -3.606078     -2.715177      5.116990
  N      -3.504249     -1.735883      5.693335
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469792551187
  N      -3.358789     -3.520750      2.288001
  C      -3.627822     -4.256652      1.046074
  C      -3.488723     -5.739121      1.340824
  N      -4.189393     -6.065937      2.613186
  C      -5.667404     -6.145455      2.432752
  C      -6.351314     -5.853953      3.757551
  N      -5.743166     -4.635600      4.324064
  Mo     -3.822043     -4.349316      4.027247
  N      -2.732639     -5.799434      4.924713
  C      -2.434231     -6.958530      4.076533
  C      -3.648344     -7.315101      3.222898
  H      -2.123585     -7.825325      4.681761
  H      -1.580615     -6.696983      3.431933
  H      -4.436329     -7.742689      3.856030
  H      -3.406967     -8.053566      2.439290
  H      -7.429469     -5.704078      3.584669
  H      -6.254046     -6.710395      4.451463
  H      -5.954071     -5.372674      1.706492
  H      -5.954773     -7.129840      2.026070
  H      -2.905349     -3.967883      0.263699
  H      -4.634019     -4.020588      0.651352
  H      -2.426211     -5.978603      1.485946
  H      -3.874111     -6.358633      0.513032
  C      -3.352950     -2.103521      2.182707
  C      -2.190190     -1.391546      2.537900
  C      -2.172556     -0.000348      2.555390
  C      -3.330270      0.684377      2.213523
  F      -3.312688      2.039660      2.239226
  C      -4.508866      0.019540      1.846993
  C      -5.774388      0.717007      1.564000
  O      -6.801552      0.154746      1.204548
  C      -5.904619      2.246758      1.705436
  O      -5.922335      2.984194      0.750777
  C      -6.115067      2.740409      3.161335
  O      -5.736231      2.130585      4.116488
  Cl     -6.920850      4.318706      3.256348
  C      -4.493832     -1.385404      1.817570
  C      -6.557696     -3.905175      5.220909
  C      -7.079012     -4.502311      6.388560
  C      -7.832309     -3.764013      7.298395
  C      -8.071386     -2.420713      7.039349
  F      -8.827785     -1.712193      7.912018
  C      -7.592004     -1.796844      5.878033
  C      -7.892461     -0.401869      5.534117
  O      -7.819978      0.067047      4.402969
  C      -8.150468      0.662357      6.607123
  O      -7.378871      0.885721      7.507714
  C      -9.397742      1.531605      6.322347
  O     -10.411156      1.085397      5.873361
  Cl     -9.212040      3.220287      6.847168
  C      -6.842532     -2.564229      4.971219
  C      -3.180481     -6.022626      6.234051
  C      -3.011516     -4.991144      7.191461
  C      -3.543503     -5.087910      8.471632
  C      -4.242354     -6.236278      8.818226
  F      -4.769980     -6.325542     10.067953
  C      -4.403898     -7.304374      7.926226
  C      -5.181794     -8.510868      8.249626
  O      -5.296676     -9.473675      7.496766
  C      -5.934043     -8.621174      9.591160
  O      -5.616171     -9.397826     10.459222
  C      -7.214826     -7.753884      9.646492
  O      -7.575369     -7.067314      8.731024
  Cl     -8.092833     -7.881096     11.178390
  C      -3.850422     -7.189443      6.639402
  H      -1.302525     -1.954840      2.829010
  H      -1.279863      0.557340      2.838017
  H      -5.421959     -1.896932      1.556598
  H      -6.874426     -5.552935      6.599624
  H      -8.233001     -4.223766      8.202114
  H      -6.472872     -2.084347      4.064082
  H      -2.436747     -4.109300      6.912120
  H      -3.411745     -4.290318      9.202505
  H      -4.011689     -8.026775      5.961489
  N      -3.606766     -2.715779      5.117395
  N      -3.504653     -1.736603      5.693727
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469794011122
  N      -3.360215     -3.520830      2.288231
  C      -3.628549     -4.256665      1.046087
  C      -3.489196     -5.739206      1.340635
  N      -4.189675     -6.066377      2.613039
  C      -5.667739     -6.146183      2.432619
  C      -6.351770     -5.854668      3.757396
  N      -5.744039     -4.636024      4.323659
  Mo     -3.822754     -4.349916      4.027300
  N      -2.732673     -5.799519      4.924463
  C      -2.434118     -6.958598      4.076281
  C      -3.648228     -7.315442      3.222681
  H      -2.123193     -7.825409      4.681349
  H      -1.580581     -6.696791      3.431670
  H      -4.436096     -7.743186      3.855868
  H      -3.406698     -8.053798      2.439026
  H      -7.430002     -5.705340      3.584420
  H      -6.254261     -6.711002      4.451423
  H      -5.954423     -5.373356      1.706409
  H      -5.955009     -7.130560      2.025881
  H      -2.905806     -3.967745      0.264012
  H      -4.634623     -4.020806      0.650902
  H      -2.426636     -5.978609      1.485515
  H      -3.874655     -6.358662      0.512828
  C      -3.353593     -2.103570      2.182699
  C      -2.190281     -1.392228      2.537254
  C      -2.171926     -0.000985      2.554640
  C      -3.329489      0.684278      2.213309
  F      -3.311244      2.039591      2.238844
  C      -4.508562      0.020027      1.847397
  C      -5.773884      0.718072      1.564633
  O      -6.801217      0.156342      1.204928
  C      -5.903403      2.247809      1.706777
  O      -5.921965      2.985560      0.752380
  C      -6.111877      2.741265      3.163133
  O      -5.734016      2.130322      4.117918
  Cl     -6.914356      4.321391      3.258960
  C      -4.494275     -1.384949      1.818065
  C      -6.558411     -3.905475      5.220503
  C      -7.080451     -4.502295      6.387939
  C      -7.833326     -3.763486      7.297755
  C      -8.071337     -2.419985      7.038836
  F      -8.827277     -1.710931      7.911485
  C      -7.591284     -1.796346      5.877645
  C      -7.891295     -0.401312      5.533398
  O      -7.817654      0.067476      4.402265
  C      -8.151114      0.662992      6.605748
  O      -7.379406      0.888294      7.505742
  C      -9.400997      1.528714      6.321781
  O     -10.412602      1.079992      5.871305
  Cl     -9.220875      3.217157      6.849695
  C      -6.842285     -2.564248      4.970904
  C      -3.179989     -6.022577      6.234046
  C      -3.010679     -4.990903      7.191213
  C      -3.542624     -5.087326      8.471434
  C      -4.241605     -6.235498      8.818304
  F      -4.769458     -6.324353     10.067997
  C      -4.403311     -7.303793      7.926684
  C      -5.181594     -8.509921      8.250312
  O      -5.297873     -9.472437      7.497229
  C      -5.932815     -8.620400      9.592253
  O      -5.613618     -9.395890     10.460827
  C      -7.214702     -7.754498      9.647455
  O      -7.575506     -7.067952      8.732141
  Cl     -8.093035     -7.883084     11.179091
  C      -3.849960     -7.189301      6.639672
  H      -1.302730     -1.955886      2.827991
  H      -1.278784      0.556269      2.836701
  H      -5.422723     -1.896121      1.557545
  H      -6.876649     -5.553080      6.598997
  H      -8.234499     -4.222914      8.201425
  H      -6.472218     -2.084570      4.063859
  H      -2.435722     -4.109266      6.911610
  H      -3.410715     -4.289541      9.202074
  H      -4.011447     -8.026686      5.961876
  N      -3.608014     -2.716233      5.117400
  N      -3.505747     -1.737101      5.693646
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469794662954
  N      -3.360965     -3.520984      2.287888
  C      -3.628874     -4.256944      1.045731
  C      -3.489315     -5.739504      1.340243
  N      -4.189675     -6.066812      2.612743
  C      -5.667775     -6.146980      2.432170
  C      -6.352074     -5.855380      3.756798
  N      -5.744774     -4.636382      4.322801
  Mo     -3.823373     -4.350275      4.026974
  N      -2.732853     -5.799270      4.924060
  C      -2.433992     -6.958542      4.076220
  C      -3.647921     -7.315741      3.222463
  H      -2.123055     -7.825226      4.681465
  H      -1.580268     -6.696693      3.431857
  H      -4.435711     -7.743520      3.855746
  H      -3.406256     -8.054054      2.438831
  H      -7.430352     -5.706470      3.583713
  H      -6.254422     -6.711536      4.451037
  H      -5.954404     -5.374147      1.705940
  H      -5.954775     -7.131407      2.025404
  H      -2.905994     -3.968056      0.263763
  H      -4.634924     -4.021387      0.650287
  H      -2.426759     -5.979029      1.484927
  H      -3.874965     -6.358907      0.512478
  C      -3.353756     -2.103761      2.182123
  C      -2.189991     -1.392872      2.536019
  C      -2.171107     -0.001594      2.553564
  C      -3.328655      0.684121      2.213034
  F      -3.309925      2.039423      2.238758
  C      -4.508133      0.020309      1.847710
  C      -5.773415      0.718663      1.565405
  O      -6.800855      0.157294      1.205445
  C      -5.902468      2.248250      1.708546
  O      -5.922292      2.986408      0.754468
  C      -6.108507      2.741407      3.165434
  O      -5.731336      2.129242      4.119663
  Cl     -6.907521      4.323432      3.262495
  C      -4.494354     -1.384677      1.818196
  C      -6.559106     -3.905972      5.219777
  C      -7.082005     -4.502895      6.386709
  C      -7.834654     -3.764021      7.296713
  C      -8.071662     -2.420248      7.038344
  F      -8.827287     -1.710940      7.911055
  C      -7.590818     -1.796455      5.877532
  C      -7.890362     -0.401201      5.533597
  O      -7.815676      0.068038      4.402715
  C      -8.151624      0.662858      6.605760
  O      -7.379688      0.889639      7.505167
  C      -9.403651      1.525677      6.322610
  O     -10.413853      1.074894      5.871112
  Cl     -9.228061      3.213952      6.852954
  C      -6.842077     -2.564395      4.970661
  C      -3.179956     -6.021974      6.233852
  C      -3.010279     -4.989973      7.190635
  C      -3.542203     -5.085889      8.470893
  C      -4.241352     -6.233797      8.818157
  F      -4.769532     -6.322033     10.067803
  C      -4.403217     -7.302442      7.927071
  C      -5.181804     -8.508259      8.251182
  O      -5.299159     -9.470640      7.498073
  C      -5.931954     -8.618617      9.593575
  O      -5.611386     -9.392779     10.462816
  C      -7.214838     -7.754082      9.648582
  O      -7.575846     -7.067505      8.733418
  Cl     -8.093693     -7.884076     11.179842
  C      -3.849965     -7.188527      6.639899
  H      -1.302473     -1.956912      2.826127
  H      -1.277581      0.555303      2.835108
  H      -5.423042     -1.895540      1.557924
  H      -6.878924     -5.553897      6.597421
  H      -8.236371     -4.223565      8.200078
  H      -6.471534     -2.084491      4.063960
  H      -2.435059     -4.108645      6.910615
  H      -3.410199     -4.287839      9.201236
  H      -4.011672     -8.025976      5.962236
  N      -3.609541     -2.716333      5.116857
  N      -3.507460     -1.737129      5.692947
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8046.097603540223
  N      -3.361281     -3.521180      2.287187
  C      -3.629161     -4.257369      1.045190
  C      -3.489453     -5.739905      1.339752
  N      -4.189661     -6.067164      2.612420
  C      -5.667789     -6.147692      2.431707
  C      -6.352325     -5.855981      3.756164
  N      -5.745358     -4.636629      4.321895
  Mo     -3.823901     -4.350418      4.026473
  N      -2.733072     -5.798848      4.923495
  C      -2.433947     -6.958457      4.076177
  C      -3.647679     -7.315967      3.222247
  H      -2.123220     -7.824917      4.681851
  H      -1.579906     -6.696822      3.432128
  H      -4.435374     -7.743708      3.855698
  H      -3.405996     -8.054289      2.438657
  H      -7.430629     -5.707308      3.583053
  H      -6.254565     -6.711938      4.450637
  H      -5.954401     -5.374914      1.705413
  H      -5.954437     -7.132225      2.024984
  H      -2.906341     -3.968605      0.263118
  H      -4.635305     -4.022111      0.649792
  H      -2.426927     -5.979687      1.484214
  H      -3.875426     -6.359237      0.512080
  C      -3.353491     -2.104052      2.181202
  C      -2.189303     -1.393594      2.534545
  C      -2.169866     -0.002311      2.552324
  C      -3.327365      0.683909      2.212595
  F      -3.308083      2.039175      2.238564
  C      -4.507252      0.020559      1.847746
  C      -5.772457      0.719225      1.565921
  O      -6.799982      0.158231      1.205568
  C      -5.901044      2.248625      1.710246
  O      -5.921985      2.987279      0.756547
  C      -6.104829      2.741303      3.167660
  O      -5.728406      2.127782      4.121275
  Cl     -6.900405      4.325139      3.266194
  C      -4.493965     -1.384420      1.817936
  C      -6.559749     -3.906457      5.219021
  C      -7.083614     -4.503790      6.385261
  C      -7.836232     -3.765162      7.295533
  C      -8.072358     -2.421092      7.037942
  F      -8.827797     -1.711719      7.910757
  C      -7.590666     -1.796900      5.877679
  C      -7.889807     -0.401376      5.534461
  O      -7.814054      0.068754      4.404011
  C      -8.152644      0.662178      6.606678
  O      -7.380287      0.890756      7.505248
  C      -9.406990      1.521910      6.324490
  O     -10.415852      1.068839      5.872306
  Cl     -9.236173      3.210095      6.856846
  C      -6.841885     -2.564511      4.970629
  C      -3.180145     -6.021102      6.233472
  C      -3.010020     -4.988781      7.189850
  C      -3.541802     -5.084169      8.470187
  C      -4.241182     -6.231780      8.817873
  F      -4.769526     -6.319383     10.067528
  C      -4.403344     -7.300772      7.927280
  C      -5.182164     -8.506322      8.252024
  O      -5.300305     -9.468692      7.499048
  C      -5.931315     -8.616289      9.594911
  O      -5.609577     -9.389320     10.464737
  C      -7.214858     -7.752758      9.649860
  O      -7.576133     -7.066142      8.734834
  Cl     -8.093986     -7.883757     11.180896
  C      -3.850267     -7.187404      6.639971
  H      -1.301871     -1.958121      2.823995
  H      -1.275973      0.554199      2.833461
  H      -5.422890     -1.894890      1.557728
  H      -6.881225     -5.555045      6.595400
  H      -8.238536     -4.225151      8.198409
  H      -6.470775     -2.084074      4.064450
  H      -2.434520     -4.107797      6.909343
  H      -3.409632     -4.285903      9.200270
  H      -4.012247     -8.024882      5.962409
  N      -3.610982     -2.716149      5.115998
  N      -3.509388     -1.736801      5.691965
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8009.053545648917
  N      -3.364050     -3.521837      2.283456
  C      -3.634374     -4.258798      1.042666
  C      -3.493196     -5.741428      1.335919
  N      -4.191073     -6.069532      2.610213
  C      -5.669581     -6.152669      2.429628
  C      -6.354719     -5.860900      3.753533
  N      -5.749528     -4.639201      4.317265
  Mo     -3.827877     -4.352327      4.024132
  N      -2.734084     -5.797450      4.918185
  C      -2.433981     -6.959109      4.073842
  C      -3.646937     -7.317996      3.219205
  H      -2.124831     -7.824411      4.681971
  H      -1.577842     -6.698979      3.431842
  H      -4.433382     -7.745920      3.854264
  H      -3.405892     -8.055647      2.434999
  H      -7.433353     -5.713675      3.581445
  H      -6.255577     -6.715702      4.449261
  H      -5.956706     -5.379816      1.703620
  H      -5.953775     -7.137747      2.022775
  H      -2.913561     -3.970435      0.258561
  H      -4.642011     -4.025653      0.649754
  H      -2.430805     -5.983506      1.477370
  H      -3.882581     -6.359234      0.508663
  C      -3.351723     -2.105546      2.176714
  C      -2.185204     -1.398837      2.529770
  C      -2.161036     -0.007532      2.549930
  C      -3.316786      0.683180      2.212802
  F      -3.292682      2.038105      2.240946
  C      -4.498926      0.023879      1.847736
  C      -5.762425      0.725418      1.565911
  O      -6.790161      0.167696      1.200521
  C      -5.886973      2.253460      1.717438
  O      -5.913181      2.995050      0.765896
  C      -6.077576      2.744059      3.177652
  O      -5.708849      2.121721      4.128220
  Cl     -6.847835      4.341307      3.283530
  C      -4.489850     -1.381050      1.815317
  C      -6.564093     -3.910024      5.215184
  C      -7.094782     -4.509149      6.376999
  C      -7.846544     -3.771284      7.288959
  C      -8.075824     -2.425208      7.035966
  F      -8.829091     -1.714147      7.909253
  C      -7.588243     -1.799353      5.878904
  C      -7.884478     -0.402188      5.539750
  O      -7.799342      0.074011      4.412399
  C      -8.161970      0.658459      6.610364
  O      -7.385576      0.905764      7.500476
  C      -9.437680      1.489234      6.336739
  O     -10.434077      1.014308      5.879541
  Cl     -9.310723      3.176741      6.884716
  C      -6.839823     -2.565545      4.970913
  C      -3.180455     -6.016911      6.229666
  C      -3.005468     -4.982691      7.183297
  C      -3.535594     -5.074101      8.464459
  C      -4.237688     -6.218887      8.815112
  F      -4.767093     -6.301552     10.064948
  C      -4.403445     -7.290055      7.927943
  C      -5.185439     -8.492608      8.257437
  O      -5.312246     -9.454033      7.504862
  C      -5.925157     -8.599723      9.605009
  O      -5.593083     -9.363627     10.479051
  C      -7.213988     -7.744198      9.660993
  O      -7.577703     -7.056054      8.748108
  Cl     -8.094453     -7.884928     11.190499
  C      -3.852142     -7.180904      6.639397
  H      -1.299504     -1.967593      2.816445
  H      -1.264960      0.545533      2.830850
  H      -5.420015     -1.887761      1.552139
  H      -6.897760     -5.562157      6.583665
  H      -8.252917     -4.233633      8.188791
  H      -6.465048     -2.082210      4.067875
  H      -2.426956     -4.104910      6.899168
  H      -3.401130     -4.274605      9.192829
  H      -4.017105     -8.018121      5.962257
  N      -3.620649     -2.716867      5.112572
  N      -3.520189     -1.736245      5.686930
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469707693423
  N      -3.366819     -3.522634      2.279863
  C      -3.640703     -4.260162      1.040397
  C      -3.497736     -5.742905      1.332105
  N      -4.192610     -6.071989      2.608348
  C      -5.671571     -6.157786      2.428570
  C      -6.356692     -5.865896      3.752221
  N      -5.752992     -4.641843      4.313631
  Mo     -3.831237     -4.354432      4.022109
  N      -2.734287     -5.796413      4.912772
  C      -2.433505     -6.959971      4.071096
  C      -3.646000     -7.320153      3.216135
  H      -2.125703     -7.824209      4.681418
  H      -1.575529     -6.701231      3.430866
  H      -4.430939     -7.748415      3.853011
  H      -3.405835     -8.057015      2.431132
  H      -7.435720     -5.720077      3.581639
  H      -6.255868     -6.719502      4.449198
  H      -5.959573     -5.384908      1.702942
  H      -5.953481     -7.143426      2.021762
  H      -2.922568     -3.972068      0.253702
  H      -4.650170     -4.029118      0.650891
  H      -2.435378     -5.987129      1.469979
  H      -3.890879     -6.359154      0.505424
  C      -3.350123     -2.107178      2.172698
  C      -2.181719     -1.404040      2.526484
  C      -2.153108     -0.012733      2.549424
  C      -3.306967      0.682325      2.214252
  F      -3.278291      2.036882      2.244910
  C      -4.490987      0.026945      1.848042
  C      -5.752714      0.731285      1.565708
  O      -6.780416      0.176836      1.194696
  C      -5.873465      2.257904      1.724637
  O      -5.904532      3.002603      0.775412
  C      -6.051673      2.746170      3.187524
  O      -5.690513      2.115480      4.135155
  Cl     -6.797580      4.355855      3.300442
  C      -4.485848     -1.377942      1.812668
  C      -6.567642     -3.913308      5.212146
  C      -7.104838     -4.513692      6.369899
  C      -7.855825     -3.776299      7.283228
  C      -8.078649     -2.428461      7.034171
  F      -8.829809     -1.715479      7.907672
  C      -7.585508     -1.801441      5.879946
  C      -7.879393     -0.402954      5.544177
  O      -7.785064      0.078691      4.419761
  C      -8.171727      0.655229      6.612231
  O      -7.391353      0.922092      7.493451
  C      -9.467887      1.457659      6.347909
  O     -10.451489      0.961622      5.885617
  Cl     -9.384304      3.143115      6.911650
  C      -6.837284     -2.566522      4.971332
  C      -3.179884     -6.013295      6.225727
  C      -3.000132     -4.977312      7.176745
  C      -3.528832     -5.064834      8.458606
  C      -4.233767     -6.206758      8.811960
  F      -4.764506     -6.284540     10.061840
  C      -4.402947     -7.280022      7.928116
  C      -5.188364     -8.479433      8.262141
  O      -5.323241     -9.440127      7.510244
  C      -5.919968     -8.582971      9.613690
  O      -5.579063     -9.337974     10.492109
  C      -7.213385     -7.734404      9.669548
  O      -7.578306     -7.044591      8.758391
  Cl     -8.096579     -7.883957     11.196682
  C      -3.853137     -7.175051      6.638471
  H      -1.297856     -1.976901      2.810860
  H      -1.255164      0.536981      2.830891
  H      -5.417012     -1.880936      1.545865
  H      -6.912948     -5.568271      6.573578
  H      -8.266052     -4.240615      8.180281
  H      -6.459070     -2.080714      4.071088
  H      -2.418621     -4.102704      6.889164
  H      -3.392187     -4.264183      9.185353
  H      -4.021025     -8.011932      5.961659
  N      -3.629185     -2.717878      5.109500
  N      -3.529621     -1.736070      5.682452
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469763682564
  N      -3.378418     -3.520884      2.291327
  C      -3.654608     -4.254176      1.049351
  C      -3.509166     -5.737429      1.337487
  N      -4.199685     -6.070758      2.614248
  C      -5.679110     -6.154687      2.441942
  C      -6.356732     -5.864125      3.770189
  N      -5.748923     -4.642653      4.330897
  Mo     -3.827615     -4.357931      4.031225
  N      -2.725513     -5.805092      4.914579
  C      -2.432495     -6.964381      4.064394
  C      -3.651083     -7.320508      3.216328
  H      -2.119969     -7.831858      4.667727
  H      -1.580901     -6.702992      3.416947
  H      -4.433879     -7.751204      3.853975
  H      -3.413773     -8.055802      2.428650
  H      -7.436412     -5.717803      3.603970
  H      -6.252809     -6.719499      4.464507
  H      -5.971322     -5.382011      1.717815
  H      -5.965117     -7.139801      2.036385
  H      -2.938719     -3.961719      0.262368
  H      -4.664679     -4.021265      0.662790
  H      -2.445367     -5.976658      1.473108
  H      -3.900766     -6.353968      0.510325
  C      -3.359606     -2.104285      2.187102
  C      -2.191978     -1.403784      2.548879
  C      -2.160680     -0.012808      2.569162
  C      -3.310267      0.683651      2.223292
  F      -3.279486      2.038633      2.251273
  C      -4.493148      0.030655      1.849537
  C      -5.750180      0.740045      1.558088
  O      -6.777836      0.188753      1.183323
  C      -5.867580      2.269129      1.711206
  O      -5.882925      3.012409      0.760886
  C      -6.067875      2.757818      3.170784
  O      -5.708919      2.132893      4.123453
  Cl     -6.834748      4.356741      3.273267
  C      -4.491566     -1.374352      1.817499
  C      -6.561680     -3.906448      5.224258
  C      -7.092527     -4.496619      6.390835
  C      -7.842098     -3.750418      7.297737
  C      -8.069621     -2.405929      7.034879
  F      -8.820754     -1.687389      7.904276
  C      -7.582655     -1.789070      5.872845
  C      -7.882158     -0.396044      5.521018
  O      -7.790996      0.071680      4.390539
  C      -8.179044      0.670556      6.579546
  O      -7.400301      0.949230      7.458800
  C      -9.479009      1.466644      6.310848
  O     -10.455869      0.967009      5.837858
  Cl     -9.410805      3.148584      6.884086
  C      -6.835492     -2.563550      4.970477
  C      -3.167295     -6.027916      6.226866
  C      -2.985901     -4.997845      7.183795
  C      -3.513485     -5.091034      8.465900
  C      -4.220088     -6.233764      8.814161
  F      -4.747637     -6.318084     10.064549
  C      -4.392425     -7.301016      7.923391
  C      -5.182235     -8.498683      8.249570
  O      -5.318424     -9.456710      7.494115
  C      -5.920767     -8.605577      9.598019
  O      -5.591725     -9.374104     10.468935
  C      -7.205466     -7.742998      9.658596
  O      -7.566765     -7.049407      8.748770
  Cl     -8.083548     -7.884147     11.189444
  C      -3.842723     -7.190619      6.634267
  H      -1.311285     -1.976767      2.842395
  H      -1.263842      0.535582      2.856735
  H      -5.422826     -1.876048      1.548770
  H      -6.897847     -5.548636      6.604565
  H      -8.248435     -4.204909      8.201577
  H      -6.461432     -2.088482      4.062462
  H      -2.405331     -4.120837      6.901273
  H      -3.373884     -4.294350      9.196351
  H      -4.013019     -8.025147      5.955161
  N      -3.609849     -2.725597      5.122597
  N      -3.502262     -1.747720      5.700864
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469776567929
  N      -3.379453     -3.520038      2.294490
  C      -3.656553     -4.252387      1.052056
  C      -3.511061     -5.735650      1.340083
  N      -4.201437     -6.069410      2.616615
  C      -5.680842     -6.152693      2.445814
  C      -6.356566     -5.861889      3.775122
  N      -5.747030     -4.641481      4.335813
  Mo     -3.825781     -4.357365      4.033745
  N      -2.722961     -5.806458      4.916197
  C      -2.432619     -6.964896      4.063946
  C      -3.652886     -7.319585      3.217673
  H      -2.119514     -7.833324      4.665637
  H      -1.582553     -6.703509      3.414569
  H      -4.435454     -7.750585      3.855295
  H      -3.416410     -8.054769      2.429517
  H      -7.436259     -5.714605      3.609828
  H      -6.252505     -6.717690      4.468865
  H      -5.974033     -5.380551      1.721532
  H      -5.967972     -7.137853      2.041052
  H      -2.941229     -3.959170      0.264877
  H      -4.666720     -4.018543      0.666258
  H      -2.446989     -5.973357      1.476364
  H      -3.901348     -6.352746      0.512726
  C      -3.361130     -2.103073      2.191233
  C      -2.194135     -1.402083      2.554427
  C      -2.163609     -0.011161      2.573357
  C      -3.312888      0.684373      2.224495
  F      -3.282851      2.039547      2.250871
  C      -4.494867      0.030618      1.849347
  C      -5.751723      0.739635      1.555696
  O      -6.779392      0.187376      1.182693
  C      -5.869669      2.269631      1.703413
  O      -5.880690      3.010455      0.751216
  C      -6.077133      2.760706      3.160809
  O      -5.716888      2.139541      4.115613
  Cl     -6.853096      4.354777      3.258014
  C      -4.492770     -1.374290      1.819068
  C      -6.559273     -3.903283      5.227869
  C      -7.087233     -4.490948      6.397270
  C      -7.836314     -3.742718      7.302704
  C      -8.065890     -2.399266      7.036063
  F      -8.817402     -1.679809      7.904500
  C      -7.581488     -1.784896      5.871647
  C      -7.882519     -0.393000      5.516346
  O      -7.793579      0.071689      4.384459
  C      -8.177643      0.674909      6.575157
  O      -7.400880      0.953354      7.455683
  C      -9.474275      1.472219      6.299974
  O     -10.451719      0.979181      5.821071
  Cl     -9.401163      3.151943      6.878052
  C      -6.835013     -2.561554      4.970617
  C      -3.164740     -6.030684      6.227926
  C      -2.983987     -5.002550      7.186982
  C      -3.512855     -5.097671      8.468625
  C      -4.219799     -6.241081      8.814882
  F      -4.747609     -6.327443     10.064851
  C      -4.391560     -7.306589      7.921841
  C      -5.181147     -8.505229      8.244383
  O      -5.316657     -9.461483      7.486427
  C      -5.921422     -8.616812      9.591819
  O      -5.593233     -9.389741     10.459104
  C      -7.205689     -7.754006      9.655831
  O      -7.568609     -7.059936      8.747266
  Cl     -8.080582     -7.896505     11.188304
  C      -3.841101     -7.193729      6.633392
  H      -1.313655     -1.974169      2.850221
  H      -1.267527      0.538011      2.861847
  H      -5.423688     -1.876685      1.550479
  H      -6.890909     -5.542080      6.613769
  H      -8.240875     -4.194760      8.208582
  H      -6.462958     -2.089391      4.060537
  H      -2.403621     -4.124611      6.906810
  H      -3.373385     -4.302184      9.200381
  H      -4.011004     -8.027755      5.953577
  N      -3.602269     -2.726698      5.126370
  N      -3.493071     -1.749823      5.705473
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469780297873
  N      -3.378591     -3.519975      2.294956
  C      -3.658273     -4.251563      1.052738
  C      -3.514343     -5.734981      1.340173
  N      -4.203860     -6.068130      2.617227
  C      -5.683435     -6.149755      2.447889
  C      -6.357694     -5.859032      3.777914
  N      -5.746401     -4.639552      4.338907
  Mo     -3.825704     -4.356712      4.034748
  N      -2.724556     -5.807470      4.916038
  C      -2.434845     -6.965294      4.062812
  C      -3.655872     -7.319007      3.217314
  H      -2.121286     -7.834026      4.663793
  H      -1.585411     -6.703488      3.412798
  H      -4.438277     -7.750026      3.855117
  H      -3.420243     -8.053920      2.428653
  H      -7.437339     -5.710496      3.613585
  H      -6.253865     -6.715292      4.471113
  H      -5.976646     -5.377037      1.724212
  H      -5.971961     -7.134462      2.042964
  H      -2.943623     -3.958925      0.264739
  H      -4.668633     -4.016372      0.668311
  H      -2.450414     -5.973983      1.475310
  H      -3.906177     -6.351443      0.513092
  C      -3.359958     -2.103016      2.192499
  C      -2.193503     -1.402731      2.559227
  C      -2.162334     -0.011937      2.579257
  C      -3.310229      0.684582      2.227838
  F      -3.279642      2.039653      2.255659
  C      -4.491506      0.031717      1.848938
  C      -5.747154      0.741799      1.553391
  O      -6.775218      0.190519      1.179771
  C      -5.864255      2.271999      1.699173
  O      -5.867781      3.012598      0.746751
  C      -6.081721      2.763161      3.154959
  O      -5.723212      2.144132      4.111845
  Cl     -6.864871      4.353782      3.247580
  C      -4.490124     -1.373242      1.817643
  C      -6.558500     -3.900320      5.230425
  C      -7.084754     -4.486820      6.401151
  C      -7.835174     -3.738384      7.305307
  C      -8.067716     -2.395930      7.036042
  F      -8.820523     -1.676381      7.903212
  C      -7.584549     -1.782746      5.870572
  C      -7.886986     -0.391795      5.513044
  O      -7.798057      0.071472      4.380566
  C      -8.182619      0.677766      6.569820
  O      -7.405516      0.958114      7.449454
  C      -9.478814      1.475318      6.293047
  O     -10.457813      0.980330      5.819239
  Cl     -9.402516      3.157844      6.861985
  C      -6.836432     -2.559556      4.971011
  C      -3.165522     -6.032871      6.227802
  C      -2.984734     -5.005599      7.187660
  C      -3.511757     -5.102740      8.469899
  C      -4.217306     -6.247167      8.815792
  F      -4.742129     -6.335949     10.066784
  C      -4.389634     -7.311661      7.921566
  C      -5.176480     -8.512336      8.243971
  O      -5.309065     -9.468784      7.485822
  C      -5.916674     -8.625445      9.591494
  O      -5.589756     -9.401558     10.456516
  C      -7.198983     -7.760433      9.658459
  O      -7.563485     -7.066267      8.750533
  Cl     -8.070098     -7.901048     11.193397
  C      -3.840924     -7.196673      6.632625
  H      -1.314080     -1.975438      2.856935
  H      -1.266755      0.536517      2.870655
  H      -5.420772     -1.874677      1.546327
  H      -6.886402     -5.537222      6.619327
  H      -8.238665     -4.189593      8.212095
  H      -6.465032     -2.088082      4.060224
  H      -2.405133     -4.127010      6.908007
  H      -3.371704     -4.308203      9.202560
  H      -4.010487     -8.030381      5.952353
  N      -3.600278     -2.726508      5.127474
  N      -3.490573     -1.750141      5.707330
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469783594371
  N      -3.376488     -3.520318      2.294105
  C      -3.657821     -4.251830      1.052344
  C      -3.515688     -5.735301      1.340053
  N      -4.205024     -6.067290      2.617495
  C      -5.684690     -6.147616      2.448986
  C      -6.357991     -5.856738      3.779427
  N      -5.745648     -4.637676      4.340428
  Mo     -3.825388     -4.355655      4.034610
  N      -2.726048     -5.807483      4.915797
  C      -2.436476     -6.965234      4.062516
  C      -3.657793     -7.318550      3.217430
  H      -2.122738     -7.833895      4.663471
  H      -1.587307     -6.703315      3.412218
  H      -4.440274     -7.749266      3.855331
  H      -3.422709     -8.053512      2.428668
  H      -7.437613     -5.707394      3.615796
  H      -6.254240     -6.713105      4.472482
  H      -5.977714     -5.374574      1.725567
  H      -5.974214     -7.132050      2.044081
  H      -2.943319     -3.960210      0.263828
  H      -4.668112     -4.015575      0.668361
  H      -2.452037     -5.975731      1.474785
  H      -3.908690     -6.351482      0.513326
  C      -3.358283     -2.103416      2.191891
  C      -2.192039     -1.403200      2.559773
  C      -2.160934     -0.012475      2.580544
  C      -3.308556      0.684299      2.228722
  F      -3.278133      2.039297      2.257904
  C      -4.489498      0.031630      1.848403
  C      -5.745046      0.741860      1.553120
  O      -6.773493      0.190750      1.180136
  C      -5.862049      2.272065      1.698503
  O      -5.863897      3.012824      0.746199
  C      -6.081901      2.762728      3.153993
  O      -5.723276      2.143796      4.110923
  Cl     -6.867091      4.352195      3.246545
  C      -4.488031     -1.373351      1.816259
  C      -6.557742     -3.898143      5.231845
  C      -7.083308     -4.484446      6.402982
  C      -7.835114     -3.736489      7.306409
  C      -8.069710     -2.394651      7.035999
  F      -8.823725     -1.675401      7.902324
  C      -7.586903     -1.781686      5.870344
  C      -7.889864     -0.391055      5.512389
  O      -7.800283      0.072311      4.380006
  C      -8.186190      0.678991      6.568604
  O      -7.408862      0.960502      7.447701
  C      -9.482356      1.475981      6.290095
  O     -10.461573      0.979908      5.817880
  Cl     -9.404781      3.160141      6.853967
  C      -6.837012     -2.557853      4.971714
  C      -3.167077     -6.033209      6.227454
  C      -2.987013     -5.005977      7.187423
  C      -3.513212     -5.104194      8.469914
  C      -4.217201     -6.249559      8.815926
  F      -4.740216     -6.339655     10.067562
  C      -4.389213     -7.313835      7.921337
  C      -5.173408     -8.516392      8.243922
  O      -5.302079     -9.473696      7.486261
  C      -5.914280     -8.630138      9.591093
  O      -5.588874     -9.408511     10.454763
  C      -7.194693     -7.762958      9.659565
  O      -7.560167     -7.069480      8.751453
  Cl     -8.063155     -7.900610     11.196505
  C      -3.841410     -7.197648      6.632201
  H      -1.312840     -1.976110      2.857739
  H      -1.265615      0.535863      2.872976
  H      -5.418533     -1.874514      1.543898
  H      -6.883394     -5.534388      6.622014
  H      -8.238030     -4.187710      8.213436
  H      -6.465480     -2.085966      4.061175
  H      -2.408272     -4.126774      6.907888
  H      -3.373482     -4.309905      9.202907
  H      -4.010191     -8.031492      5.951915
  N      -3.599570     -2.725556      5.127009
  N      -3.490282     -1.749180      5.706801
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469785595018
  N      -3.373956     -3.520935      2.292708
  C      -3.655844     -4.252658      1.051285
  C      -3.515501     -5.736148      1.339651
  N      -4.205280     -6.066830      2.617199
  C      -5.684970     -6.145897      2.448789
  C      -6.358012     -5.854839      3.779318
  N      -5.745131     -4.636058      4.340522
  Mo     -3.825049     -4.354623      4.033746
  N      -2.727485     -5.807193      4.915636
  C      -2.437771     -6.965144      4.062701
  C      -3.659048     -7.318306      3.217626
  H      -2.124002     -7.833587      4.663924
  H      -1.588663     -6.703263      3.412318
  H      -4.441916     -7.748458      3.855412
  H      -3.424179     -8.053592      2.429106
  H      -7.437581     -5.705013      3.615789
  H      -6.254530     -6.711279      4.472300
  H      -5.977418     -5.372535      1.725463
  H      -5.975366     -7.130054      2.043788
  H      -2.940864     -3.962145      0.262768
  H      -4.665754     -4.015434      0.666832
  H      -2.452159     -5.977802      1.474605
  H      -3.909120     -6.352293      0.513197
  C      -3.356345     -2.104048      2.190346
  C      -2.189898     -1.403597      2.557347
  C      -2.159115     -0.012880      2.578190
  C      -3.307196      0.683686      2.227428
  F      -3.277001      2.038685      2.256655
  C      -4.488308      0.030818      1.847969
  C      -5.744346      0.740763      1.554109
  O      -6.773047      0.189387      1.182208
  C      -5.861744      2.270938      1.700012
  O      -5.864714      3.012118      0.748059
  C      -6.080173      2.760657      3.156042
  O      -5.720745      2.140660      4.112013
  Cl     -6.864629      4.350225      3.250825
  C      -4.486470     -1.374163      1.815542
  C      -6.557159     -3.896831      5.232305
  C      -7.082592     -4.483737      6.403221
  C      -7.835402     -3.736652      7.306534
  C      -8.071140     -2.395020      7.036280
  F      -8.826237     -1.676527      7.902281
  C      -7.588243     -1.781431      5.871031
  C      -7.891224     -0.390722      5.513801
  O      -7.800784      0.073563      4.381865
  C      -8.188867      0.678817      6.570333
  O      -7.411951      0.960793      7.449582
  C      -9.485671      1.474473      6.290780
  O     -10.464169      0.977379      5.818239
  Cl     -9.409347      3.159043      6.853747
  C      -6.837040     -2.556625      4.972657
  C      -3.168641     -6.032747      6.227253
  C      -2.989462     -5.005045      7.186854
  C      -3.515187     -5.103542      8.469506
  C      -4.217885     -6.249543      8.816033
  F      -4.739880     -6.340034     10.068055
  C      -4.389261     -7.314136      7.921688
  C      -5.171710     -8.517803      8.244754
  O      -5.297215     -9.476231      7.488015
  C      -5.914126     -8.630890      9.591158
  O      -5.590979     -9.410625     10.454523
  C      -7.192728     -7.761291      9.659168
  O      -7.557796     -7.068714      8.750164
  Cl     -8.060661     -7.895458     11.196889
  C      -3.841887     -7.197661      6.632432
  H      -1.310306     -1.976362      2.854417
  H      -1.263679      0.535691      2.869836
  H      -5.417029     -1.875548      1.543764
  H      -6.881810     -5.533532      6.622184
  H      -8.238205     -4.188458      8.213317
  H      -6.465011     -2.083758      4.062822
  H      -2.411596     -4.125351      6.907076
  H      -3.376007     -4.309015      9.202353
  H      -4.010009     -8.031942      5.952517
  N      -3.599754     -2.724392      5.125687
  N      -3.491381     -1.747580      5.704870
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469787766405
  N      -3.370341     -3.522060      2.290328
  C      -3.651866     -4.254303      1.049214
  C      -3.513702     -5.737748      1.338808
  N      -4.204711     -6.066608      2.616140
  C      -5.684330     -6.144079      2.447042
  C      -6.357795     -5.852750      3.777295
  N      -5.744685     -4.634303      4.339000
  Mo     -3.824585     -4.353423      4.031741
  N      -2.729314     -5.806554      4.915471
  C      -2.439175     -6.964968      4.063389
  C      -3.660070     -7.318131      3.217927
  H      -2.125605     -7.833025      4.665236
  H      -1.589873     -6.703359      3.413149
  H      -4.443752     -7.747207      3.855425
  H      -3.425172     -8.054184      2.430130
  H      -7.437235     -5.702525      3.613234
  H      -6.254972     -6.709282      4.470244
  H      -5.975600     -5.370295      1.723675
  H      -5.975702     -7.127856      2.041763
  H      -2.935701     -3.965270      0.261196
  H      -4.661007     -4.015954      0.663389
  H      -2.450767     -5.980660      1.474694
  H      -3.907491     -6.354106      0.512604
  C      -3.353632     -2.105165      2.187464
  C      -2.186634     -1.404091      2.551534
  C      -2.156578     -0.013328      2.572052
  C      -3.305922      0.682511      2.223997
  F      -3.276409      2.037563      2.252907
  C      -4.487642      0.029009      1.847600
  C      -5.744830      0.738250      1.556735
  O      -6.773834      0.186233      1.186742
  C      -5.862895      2.268372      1.703949
  O      -5.870363      3.010121      0.752514
  C      -6.075663      2.756772      3.161345
  O      -5.714509      2.134574      4.115268
  Cl     -6.856554      4.347650      3.260808
  C      -4.485057     -1.375966      1.815322
  C      -6.556533     -3.896049      5.231714
  C      -7.082219     -4.484555      6.401745
  C      -7.835837     -3.738987      7.305607
  C      -8.072178     -2.397190      7.036854
  F      -8.828281     -1.680134      7.903188
  C      -7.588807     -1.781900      5.872707
  C      -7.891674     -0.390745      5.517460
  O      -7.800261      0.075394      4.386367
  C      -8.191433      0.677185      6.575265
  O      -7.415778      0.959024      7.455581
  C      -9.489681      1.470543      6.295215
  O     -10.466413      0.972201      5.820505
  Cl     -9.417415      3.154492      6.861026
  C      -6.836550     -2.555575      4.973842
  C      -3.170713     -6.031348      6.227053
  C      -2.992759     -5.002542      7.185695
  C      -3.518322     -5.100480      8.468431
  C      -4.219722     -6.246943      8.816028
  F      -4.741191     -6.336999     10.068290
  C      -4.390040     -7.312480      7.922623
  C      -5.171010     -8.516890      8.246796
  O      -5.293211     -9.477065      7.491734
  C      -5.915919     -8.627989      9.592022
  O      -5.595922     -9.408393     10.456012
  C      -7.192572     -7.755532      9.657849
  O      -7.556274     -7.064450      8.747123
  Cl     -8.061263     -7.884687     11.195688
  C      -3.842688     -7.196629      6.633285
  H      -1.306008     -1.976313      2.846558
  H      -1.260762      0.535862      2.861366
  H      -5.415919     -1.878090      1.545932
  H      -6.881012     -5.534489      6.619621
  H      -8.238853     -4.192118      8.211635
  H      -6.463689     -2.081005      4.065213
  H      -2.415862     -4.122436      6.905247
  H      -3.379936     -4.305184      9.200598
  H      -4.010071     -8.031782      5.954240
  N      -3.600714     -2.722762      5.122980
  N      -3.493891     -1.745100      5.700992
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469790104008
  N      -3.366485     -3.523329      2.287542
  C      -3.646827     -4.256285      1.046582
  C      -3.510601     -5.739642      1.337643
  N      -4.203402     -6.066661      2.614443
  C      -5.682861     -6.142686      2.443832
  C      -6.357533     -5.850959      3.773385
  N      -5.744482     -4.632893      4.335883
  Mo     -3.824144     -4.352359      4.029006
  N      -2.731183     -5.805693      4.915443
  C      -2.440404     -6.964749      4.064526
  C      -3.660588     -7.318027      3.218198
  H      -2.127407     -7.832406      4.667228
  H      -1.590527     -6.703713      3.414796
  H      -4.445332     -7.745722      3.855313
  H      -3.425400     -8.055144      2.431482
  H      -7.436748     -5.700345      3.608101
  H      -6.255878     -6.707594      4.466380
  H      -5.972568     -5.368506      1.720249
  H      -5.974967     -7.126092      2.038136
  H      -2.929092     -3.968698      0.259434
  H      -4.655042     -4.016967      0.658943
  H      -2.448057     -5.983469      1.474961
  H      -3.904001     -6.356384      0.511543
  C      -3.350654     -2.106393      2.183939
  C      -2.182972     -1.404462      2.543874
  C      -2.153812     -0.013600      2.563661
  C      -3.304850      0.681198      2.219163
  F      -3.276167      2.036329      2.247108
  C      -4.487435      0.026759      1.847196
  C      -5.746102      0.735027      1.560007
  O      -6.775403      0.182147      1.192312
  C      -5.864943      2.265059      1.708789
  O      -5.878279      3.007308      0.757859
  C      -6.070292      2.752283      3.167775
  O      -5.707110      2.127778      4.119437
  Cl     -6.846603      4.344978      3.272318
  C      -4.483924     -1.378199      1.815463
  C      -6.556087     -3.896086      5.229944
  C      -7.082159     -4.486930      6.398649
  C      -7.835993     -3.743240      7.303813
  C      -8.072175     -2.400888      7.037742
  F      -8.828722     -1.685707      7.905260
  C      -7.588253     -1.783105      5.875109
  C      -7.891060     -0.391217      5.522838
  O      -7.798957      0.077453      4.392847
  C      -8.193146      0.674042      6.582827
  O      -7.419469      0.954753      7.465151
  C      -9.493078      1.465057      6.303355
  O     -10.467806      0.965732      5.825696
  Cl     -9.426125      3.147498      6.874785
  C      -6.835805     -2.555047      4.974811
  C      -3.172855     -6.029301      6.227029
  C      -2.995966     -4.999081      7.184390
  C      -3.521784     -5.095648      8.467092
  C      -4.222405     -6.242174      8.816015
  F      -4.744100     -6.330989     10.068276
  C      -4.391623     -7.309034      7.924024
  C      -5.171883     -8.513519      8.249737
  O      -5.291881     -9.475530      7.496646
  C      -5.919254     -8.621887      9.593873
  O      -5.602007     -9.401755     10.459369
  C      -7.194768     -7.747491      9.656409
  O      -7.556702     -7.058096      8.743682
  Cl     -8.065452     -7.872080     11.193460
  C      -3.843871     -7.194650      6.634660
  H      -1.300980     -1.975885      2.836342
  H      -1.257444      0.536404      2.849708
  H      -5.415240     -1.881341      1.549565
  H      -6.881056     -5.537293      6.614492
  H      -8.239361     -4.198197      8.208768
  H      -6.462272     -2.078541      4.067454
  H      -2.419685     -4.118884      6.902997
  H      -3.384095     -4.299272      9.198216
  H      -4.010706     -8.030837      5.956720
  N      -3.602093     -2.721019      5.119511
  N      -3.496967     -1.742384      5.696209
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469791748485
  N      -3.363012     -3.524421      2.284885
  C      -3.641915     -4.258137      1.043984
  C      -3.507094     -5.741377      1.336468
  N      -4.201808     -6.066821      2.612589
  C      -5.681056     -6.141862      2.440059
  C      -6.357340     -5.849590      3.768656
  N      -5.744442     -4.631902      4.331972
  Mo     -3.823780     -4.351518      4.026140
  N      -2.732885     -5.804712      4.915604
  C      -2.441391     -6.964448      4.065931
  C      -3.660689     -7.317878      3.218444
  H      -2.129323     -7.831794      4.669565
  H      -1.590609     -6.704232      3.417037
  H      -4.446482     -7.744187      3.855207
  H      -3.425076     -8.056111      2.432904
  H      -7.436263     -5.698497      3.601819
  H      -6.257173     -6.706270      4.461829
  H      -5.969208     -5.367450      1.716099
  H      -5.973462     -7.125026      2.033986
  H      -2.922692     -3.971740      0.257747
  H      -4.649328     -4.018162      0.654714
  H      -2.444867     -5.985726      1.475330
  H      -3.899789     -6.358547      0.510354
  C      -3.347881     -2.107453      2.180493
  C      -2.179679     -1.404589      2.536454
  C      -2.151448     -0.013612      2.555470
  C      -3.304112      0.680094      2.214297
  F      -3.276381      2.035288      2.241399
  C      -4.487461      0.024624      1.846611
  C      -5.747578      0.731843      1.562939
  O      -6.777202      0.178071      1.197634
  C      -5.867053      2.261774      1.712823
  O      -5.885838      3.004174      0.762129
  C      -6.065553      2.748509      3.173013
  O      -5.700413      2.122556      4.122964
  Cl     -6.838001      4.342821      3.281292
  C      -4.482995     -1.380312      1.815508
  C      -6.555801     -3.896629      5.227491
  C      -7.082044     -4.489992      6.394854
  C      -7.835563     -3.748202      7.301761
  C      -8.071194     -2.405127      7.038800
  F      -8.827629     -1.691913      7.908047
  C      -7.586970     -1.784661      5.877664
  C      -7.889998     -0.391963      5.528624
  O      -7.797735      0.079373      4.399755
  C      -8.193937      0.670186      6.591222
  O      -7.422341      0.948996      7.475956
  C      -9.495090      1.459748      6.313110
  O     -10.468395      0.959994      5.833022
  Cl     -9.432522      3.140469      6.890345
  C      -6.835124     -2.554936      4.975328
  C      -3.174925     -6.026999      6.227187
  C      -2.998762     -4.995458      7.183314
  C      -3.525125     -5.090368      8.465887
  C      -4.225534     -6.236663      8.816003
  F      -4.747928     -6.323957     10.068099
  C      -4.393861     -7.304821      7.925446
  C      -5.173877     -8.509059      8.252728
  O      -5.292798     -9.472547      7.501357
  C      -5.922891     -8.615003      9.596211
  O      -5.607051     -9.393439     10.463487
  C      -7.198362     -7.740224      9.655625
  O      -7.559030     -7.052429      8.741181
  Cl     -8.071133     -7.861735     11.191562
  C      -3.845522     -7.192137      6.636120
  H      -1.296386     -1.975170      2.826650
  H      -1.254610      0.537185      2.838486
  H      -5.414749     -1.884453      1.553062
  H      -6.881247     -5.540891      6.608273
  H      -8.239149     -4.205100      8.205638
  H      -6.461422     -2.076701      4.068952
  H      -2.422620     -4.115482      6.900975
  H      -3.387904     -4.292944      9.195954
  H      -4.011961     -8.029238      5.959180
  N      -3.603301     -2.719390      5.116034
  N      -3.499587     -1.739986      5.691682
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469793026568
  N      -3.360360     -3.525105      2.282886
  C      -3.638320     -4.259425      1.042042
  C      -3.504427     -5.742566      1.335613
  N      -4.200616     -6.066848      2.611194
  C      -5.679691     -6.141363      2.437068
  C      -6.357310     -5.848462      3.764814
  N      -5.744358     -4.631106      4.328694
  Mo     -3.823453     -4.350870      4.023920
  N      -2.734251     -5.803867      4.915912
  C      -2.442207     -6.964154      4.067210
  C      -3.660752     -7.317630      3.218669
  H      -2.131158     -7.831354      4.671599
  H      -1.590498     -6.704776      3.419181
  H      -4.447323     -7.742897      3.855185
  H      -3.424795     -8.056720      2.434039
  H      -7.435952     -5.696746      3.596683
  H      -6.258553     -6.705107      4.458252
  H      -5.966698     -5.366922      1.712680
  H      -5.972094     -7.124450      2.030822
  H      -2.918111     -3.973873      0.256399
  H      -4.645250     -4.019042      0.651817
  H      -2.442424     -5.987235      1.475636
  H      -3.896554     -6.360042      0.509458
  C      -3.345645     -2.108128      2.177878
  C      -2.177225     -1.404531      2.531260
  C      -2.149704     -0.013465      2.549709
  C      -3.303443      0.679441      2.210653
  F      -3.276434      2.034660      2.237161
  C      -4.487230      0.023160      1.845761
  C      -5.748399      0.729530      1.564551
  O      -6.778341      0.175036      1.201283
  C      -5.868285      2.259393      1.714639
  O      -5.890155      3.001578      0.763837
  C      -6.062926      2.746389      3.175276
  O      -5.696347      2.120289      4.124549
  Cl     -6.833792      4.341434      3.284930
  C      -4.482020     -1.381758      1.815093
  C      -6.555474     -3.896997      5.225438
  C      -7.081396     -4.492342      6.391942
  C      -7.834408     -3.752069      7.300445
  C      -8.069740     -2.408446      7.039958
  F      -8.825794     -1.696851      7.910858
  C      -7.585691     -1.785877      5.879830
  C      -7.889242     -0.392579      5.533352
  O      -7.797082      0.080940      4.405390
  C      -8.194514      0.666875      6.598167
  O      -7.424425      0.943988      7.484807
  C      -9.496257      1.455865      6.321489
  O     -10.468976      0.956009      5.840226
  Cl     -9.436119      3.135350      6.902427
  C      -6.834697     -2.554827      4.975581
  C      -3.176689     -6.025127      6.227471
  C      -3.000905     -4.992749      7.182800
  C      -3.527820     -5.086452      8.465223
  C      -4.228317     -6.232491      8.816043
  F      -4.751362     -6.318687     10.067965
  C      -4.396107     -7.301500      7.926428
  C      -5.175921     -8.505599      8.254794
  O      -5.294365     -9.469942      7.504472
  C      -5.925590     -8.610206      9.598084
  O      -5.609946     -9.387305     10.466610
  C      -7.201597     -7.736038      9.655595
  O      -7.561813     -7.049382      8.740101
  Cl     -8.075675     -7.856164     11.190683
  C      -3.847309     -7.189986      6.637183
  H      -1.293059     -1.974484      2.820066
  H      -1.252599      0.537878      2.830780
  H      -5.414052     -1.886567      1.554926
  H      -6.880658     -5.543634      6.603392
  H      -8.237832     -4.210512      8.203608
  H      -6.461396     -2.075408      4.069674
  H      -2.424617     -4.113076      6.899825
  H      -3.390851     -4.288355      9.194604
  H      -4.013434     -8.027638      5.960832
  N      -3.603714     -2.718071      5.113434
  N      -3.500817     -1.738294      5.688560
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469807083521
  N      -3.361534     -3.523497      2.284682
  C      -3.639444     -4.256389      1.042802
  C      -3.504569     -5.740037      1.334103
  N      -4.201098     -6.066887      2.608872
  C      -5.680048     -6.142237      2.433766
  C      -6.358163     -5.850634      3.761410
  N      -5.745255     -4.633730      4.326304
  Mo     -3.824007     -4.352879      4.024060
  N      -2.734874     -5.807143      4.914316
  C      -2.443463     -6.966809      4.064527
  C      -3.661507     -7.318510      3.214636
  H      -2.133851     -7.835073      4.668168
  H      -1.590871     -6.707718      3.417565
  H      -4.448393     -7.744676      3.850182
  H      -3.425301     -8.056434      2.429001
  H      -7.436709     -5.698503      3.593082
  H      -6.259778     -6.707813      4.454256
  H      -5.967243     -5.367420      1.709871
  H      -5.971405     -7.125237      2.026634
  H      -2.919696     -3.969245      0.257343
  H      -4.646763     -4.016217      0.653460
  H      -2.442455     -5.984257      1.474065
  H      -3.896088     -6.356336      0.506766
  C      -3.345804     -2.106453      2.181430
  C      -2.178138     -1.403778      2.538785
  C      -2.149744     -0.012650      2.558186
  C      -3.301991      0.681280      2.216124
  F      -3.274081      2.036412      2.243316
  C      -4.485148      0.025902      1.847369
  C      -5.745135      0.732935      1.562849
  O      -6.774453      0.179039      1.196753
  C      -5.864680      2.262834      1.711500
  O      -5.880372      3.004428      0.760055
  C      -6.069930      2.750971      3.170201
  O      -5.707344      2.127465      4.122673
  Cl     -6.846026      4.344135      3.272812
  C      -4.480705     -1.379061      1.815838
  C      -6.557172     -3.899819      5.222480
  C      -7.083568     -4.495514      6.388608
  C      -7.836780     -3.755439      7.297079
  C      -8.071741     -2.411732      7.036889
  F      -8.827605     -1.700236      7.908013
  C      -7.587050     -1.788859      5.877217
  C      -7.890147     -0.395283      5.531519
  O      -7.795780      0.079632      4.404326
  C      -8.195784      0.662571      6.597455
  O      -7.426531      0.936735      7.485884
  C      -9.494641      1.455757      6.320215
  O     -10.468366      0.959164      5.837379
  Cl     -9.430014      3.134687      6.901505
  C      -6.836045     -2.557467      4.972764
  C      -3.176783     -6.028241      6.226213
  C      -2.996503     -4.996735      7.181622
  C      -3.521486     -5.089231      8.464895
  C      -4.224615     -6.233344      8.816493
  F      -4.745901     -6.318365     10.069242
  C      -4.397190     -7.301525      7.926756
  C      -5.180059     -8.503142      8.256683
  O      -5.305539     -9.466039      7.505683
  C      -5.923808     -8.606961      9.603356
  O      -5.604896     -9.383929     10.470775
  C      -7.196669     -7.728681      9.667889
  O      -7.558077     -7.038921      8.755210
  Cl     -8.062736     -7.845671     11.207541
  C      -3.850517     -7.191185      6.636453
  H      -1.295092     -1.974530      2.829438
  H      -1.252971      0.537811      2.842006
  H      -5.412312     -1.882916      1.552305
  H      -6.883039     -5.546924      6.599697
  H      -8.240519     -4.214101      8.199978
  H      -6.462549     -2.077981      4.066786
  H      -2.417977     -4.118777      6.897812
  H      -3.380955     -4.291761      9.194284
  H      -4.019930     -8.028087      5.960018
  N      -3.604877     -2.723003      5.119793
  N      -3.503071     -1.746020      5.699394
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469798028102
  N      -3.366438     -3.518548      2.290222
  C      -3.645863     -4.247770      1.046098
  C      -3.507392     -5.732751      1.330939
  N      -4.203401     -6.067074      2.604125
  C      -5.682210     -6.145010      2.428171
  C      -6.359762     -5.857021      3.756507
  N      -5.746170     -4.641261      4.322887
  Mo     -3.824399     -4.358572      4.025246
  N      -2.734243     -5.816302      4.909079
  C      -2.446181     -6.974637      4.056602
  C      -3.663942     -7.321015      3.204552
  H      -2.140607     -7.845767      4.658316
  H      -1.591630     -6.717207      3.411575
  H      -4.450945     -7.749503      3.838481
  H      -3.428216     -8.055814      2.415882
  H      -7.438320     -5.703804      3.589406
  H      -6.261116     -6.715456      4.447764
  H      -5.971161     -5.369389      1.705891
  H      -5.970839     -7.127953      2.019167
  H      -2.928793     -3.956042      0.259958
  H      -4.654975     -4.008789      0.660715
  H      -2.444742     -5.975420      1.469601
  H      -3.897941     -6.345794      0.500678
  C      -3.349151     -2.101464      2.192222
  C      -2.184763     -1.400297      2.562213
  C      -2.155468     -0.008941      2.584925
  C      -3.303791      0.686836      2.233346
  F      -3.275359      2.041706      2.264292
  C      -4.483862      0.032930      1.851773
  C      -5.740657      0.740568      1.556050
  O      -6.768414      0.186955      1.184706
  C      -5.859766      2.270970      1.695148
  O      -5.851073      3.008106      0.739963
  C      -6.091282      2.768167      3.146472
  O      -5.739487      2.155113      4.109612
  Cl     -6.879084      4.357539      3.224358
  C      -4.480175     -1.372150      1.817813
  C      -6.559257     -3.907049      5.217733
  C      -7.085085     -4.502236      6.384462
  C      -7.838031     -3.761798      7.292794
  C      -8.073063     -2.418388      7.031775
  F      -8.828454     -1.706608      7.903000
  C      -7.587953     -1.796030      5.872040
  C      -7.889517     -0.401976      5.527138
  O      -7.789686      0.075317      4.401424
  C      -8.194907      0.653003      6.595094
  O      -7.427113      0.918800      7.487789
  C      -9.483974      1.460076      6.315054
  O     -10.462100      0.973399      5.830364
  Cl     -9.403606      3.137356      6.896744
  C      -6.837554     -2.564494      4.967178
  C      -3.172328     -6.035934      6.222797
  C      -2.975546     -5.007091      7.177663
  C      -3.492381     -5.095062      8.464436
  C      -4.204474     -6.232262      8.819839
  F      -4.716229     -6.313409     10.076781
  C      -4.394512     -7.297873      7.930285
  C      -5.187319     -8.491301      8.265925
  O      -5.329277     -9.452608      7.515893
  C      -5.919187     -8.588845      9.619711
  O      -5.593841     -9.363688     10.486556
  C      -7.199484     -7.721345      9.685051
  O      -7.576513     -7.049002      8.765701
  Cl     -8.070402     -7.854717     11.220065
  C      -3.855600     -7.192241      6.636202
  H      -1.304654     -1.972502      2.858874
  H      -1.260637      0.539841      2.877918
  H      -5.409762     -1.874105      1.543713
  H      -6.884065     -5.553470      6.596016
  H      -8.241030     -4.220036      8.196205
  H      -6.464407     -2.085551      4.060188
  H      -2.389656     -4.135299      6.890028
  H      -3.338533     -4.299733      9.193481
  H      -4.037025     -8.026729      5.959855
  N      -3.606990     -2.738854      5.142441
  N      -3.509589     -1.770983      5.736443
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469802470267
  N      -3.368901     -3.516947      2.293733
  C      -3.649086     -4.244508      1.048951
  C      -3.509025     -5.729771      1.331173
  N      -4.204246     -6.066980      2.604017
  C      -5.683158     -6.145399      2.428872
  C      -6.359732     -5.859510      3.758196
  N      -5.746004     -4.644252      4.325312
  Mo     -3.824423     -4.360882      4.027439
  N      -2.732849     -5.819676      4.907491
  C      -2.445767     -6.977076      4.053779
  C      -3.664054     -7.321852      3.201917
  H      -2.140649     -7.848996      4.654613
  H      -1.591300     -6.719420      3.408672
  H      -4.450592     -7.751657      3.835562
  H      -3.428736     -8.055214      2.411755
  H      -7.438515     -5.706470      3.592475
  H      -6.259867     -6.718640      4.448349
  H      -5.973175     -5.369149      1.707712
  H      -5.971304     -7.128091      2.018911
  H      -2.933281     -3.950893      0.262368
  H      -4.658884     -4.006211      0.664935
  H      -2.446112     -5.971779      1.469059
  H      -3.899371     -6.341628      0.499932
  C      -3.352479     -2.099943      2.198508
  C      -2.190204     -1.398680      2.575351
  C      -2.161888     -0.007396      2.600787
  C      -3.308787      0.688419      2.244591
  F      -3.281673      2.043204      2.279153
  C      -4.486468      0.034577      1.855659
  C      -5.741805      0.742180      1.554120
  O      -6.769298      0.188287      1.182298
  C      -5.860275      2.273090      1.686851
  O      -5.843031      3.006951      0.729235
  C      -6.097171      2.776042      3.135141
  O      -5.748714      2.166755      4.101864
  Cl     -6.884873      4.365905      3.204089
  C      -4.482068     -1.370488      1.819991
  C      -6.559388     -3.909351      5.219280
  C      -7.085057     -4.502934      6.386902
  C      -7.838834     -3.761545      7.293832
  C      -8.074843     -2.418743      7.030575
  F      -8.832146     -1.706434      7.899672
  C      -7.589420     -1.797931      5.870111
  C      -7.889853     -0.404179      5.522981
  O      -7.789528      0.070999      4.396428
  C      -8.194078      0.653398      6.588895
  O      -7.425536      0.918820      7.481097
  C      -9.479955      1.464380      6.305387
  O     -10.459626      0.979988      5.821564
  Cl     -9.393549      3.142555      6.883436
  C      -6.837942     -2.567217      4.966867
  C      -3.169630     -6.040661      6.221370
  C      -2.968692     -5.014317      7.177987
  C      -3.484142     -5.103485      8.465226
  C      -4.199010     -6.239500      8.819118
  F      -4.709949     -6.321438     10.076332
  C      -4.392613     -7.303012      7.927765
  C      -5.188658     -8.494810      8.261503
  O      -5.334576     -9.453751      7.509218
  C      -5.920883     -8.592356      9.615101
  O      -5.599291     -9.371462     10.479512
  C      -7.198617     -7.721169      9.681627
  O      -7.560024     -7.027256      8.772086
  Cl     -8.048463     -7.823543     11.230896
  C      -3.854811     -7.196160      6.633373
  H      -1.311190     -1.970941      2.875133
  H      -1.268861      0.541354      2.899299
  H      -5.410097     -1.872317      1.540471
  H      -6.883275     -5.553655      6.600322
  H      -8.241735     -4.218714      8.197840
  H      -6.464428     -2.088977      4.059685
  H      -2.380839     -4.143662      6.891280
  H      -3.327630     -4.309913      9.195625
  H      -4.039158     -8.028709      5.955280
  N      -3.608226     -2.745360      5.152410
  N      -3.513039     -1.780180      5.751069
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469798186882
  N      -3.369915     -3.518404      2.295131
  C      -3.650504     -4.246273      1.051171
  C      -3.510702     -5.730821      1.334628
  N      -4.204499     -6.066196      2.608673
  C      -5.683785     -6.143130      2.435987
  C      -6.359170     -5.857184      3.766339
  N      -5.745751     -4.641682      4.333322
  Mo     -3.824880     -4.359191      4.030956
  N      -2.731417     -5.816674      4.910124
  C      -2.442946     -6.973558      4.056247
  C      -3.662535     -7.320594      3.206737
  H      -2.134515     -7.844311      4.656972
  H      -1.590653     -6.713633      3.409096
  H      -4.448010     -7.750809      3.841356
  H      -3.427459     -8.054121      2.416577
  H      -7.438313     -5.705455      3.601748
  H      -6.257591     -6.716342      4.456126
  H      -5.974047     -5.366627      1.715185
  H      -5.973758     -7.125474      2.026273
  H      -2.934661     -3.953508      0.264240
  H      -4.659976     -4.008004      0.666244
  H      -2.447735     -5.972958      1.471955
  H      -3.901812     -6.343680      0.504510
  C      -3.354840     -2.101515      2.199609
  C      -2.192177     -1.400145      2.576525
  C      -2.164042     -0.009281      2.602161
  C      -3.310865      0.686377      2.245554
  F      -3.283357      2.041282      2.279446
  C      -4.488532      0.032779      1.856625
  C      -5.743257      0.741631      1.554848
  O      -6.771707      0.188720      1.184279
  C      -5.859065      2.273009      1.686936
  O      -5.855815      3.005641      0.728359
  C      -6.091429      2.774967      3.136360
  O      -5.741847      2.162336      4.100622
  Cl     -6.873689      4.366813      3.210392
  C      -4.484436     -1.372227      1.821248
  C      -6.558724     -3.905344      5.226402
  C      -7.085309     -4.496101      6.394910
  C      -7.840714     -3.752801      7.299071
  C      -8.077602     -2.410733      7.032255
  F      -8.837659     -1.696799      7.897618
  C      -7.591715     -1.792749      5.870436
  C      -7.891502     -0.400107      5.518315
  O      -7.795170      0.069072      4.388907
  C      -8.193145      0.664821      6.578640
  O      -7.421749      0.937144      7.465853
  C      -9.482679      1.469930      6.292347
  O     -10.460517      0.981015      5.810067
  Cl     -9.398877      3.152598      6.859815
  C      -6.837959     -2.564239      4.970826
  C      -3.169628     -6.041864      6.222630
  C      -2.977220     -5.017682      7.183404
  C      -3.498305     -5.113632      8.468004
  C      -4.209229     -6.254451      8.815181
  F      -4.729568     -6.341507     10.068155
  C      -4.391989     -7.316554      7.920205
  C      -5.184093     -8.513142      8.245486
  O      -5.325470     -9.467977      7.487147
  C      -5.921930     -8.619475      9.595249
  O      -5.600463     -9.398828     10.459568
  C      -7.171926     -7.710809      9.682964
  O      -7.529576     -7.007784      8.778969
  Cl     -8.014625     -7.811003     11.236950
  C      -3.849248     -7.202477      6.628641
  H      -1.313169     -1.972274      2.876569
  H      -1.271320      0.539833      2.900978
  H      -5.412357     -1.874398      1.542060
  H      -6.883406     -5.546183      6.611328
  H      -8.244638     -4.207997      8.203665
  H      -6.463363     -2.087385      4.063978
  H      -2.392992     -4.142854      6.902398
  H      -3.350214     -4.321140      9.201325
  H      -4.027112     -8.033806      5.947244
  N      -3.608343     -2.740663      5.147784
  N      -3.512160     -1.771697      5.741508
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469844710133
  N      -3.369370     -3.518049      2.293820
  C      -3.650657     -4.246335      1.050018
  C      -3.511345     -5.730983      1.333971
  N      -4.205290     -6.065665      2.608162
  C      -5.684576     -6.142394      2.435170
  C      -6.360105     -5.855518      3.765163
  N      -5.746041     -4.640132      4.331872
  Mo     -3.824988     -4.358017      4.029840
  N      -2.732733     -5.815909      4.910202
  C      -2.444791     -6.973465      4.056712
  C      -3.664163     -7.320082      3.206731
  H      -2.137218     -7.844299      4.657732
  H      -1.591999     -6.714546      3.409868
  H      -4.450056     -7.749617      3.841268
  H      -3.429290     -8.053984      2.416896
  H      -7.439095     -5.703141      3.600159
  H      -6.259372     -6.714490      4.455360
  H      -5.974458     -5.366106      1.713993
  H      -5.974720     -7.124821      2.025818
  H      -2.934871     -3.954182      0.262800
  H      -4.660166     -4.007698      0.665424
  H      -2.448453     -5.973405      1.471348
  H      -3.902670     -6.343968      0.504032
  C      -3.353626     -2.101109      2.197812
  C      -2.190490     -1.400152      2.573684
  C      -2.161075     -0.009191      2.597217
  C      -3.307432      0.686927      2.240040
  F      -3.277840      2.041879      2.269623
  C      -4.486123      0.033677      1.853408
  C      -5.740733      0.742866      1.551995
  O      -6.768934      0.190254      1.180296
  C      -5.856306      2.274249      1.684100
  O      -5.851614      3.006787      0.725432
  C      -6.095654      2.775905      3.132563
  O      -5.748490      2.164414      4.098424
  Cl     -6.881555      4.366186      3.202949
  C      -4.482968     -1.371405      1.819268
  C      -6.558722     -3.903824      5.225282
  C      -7.084945     -4.495183      6.393629
  C      -7.839777     -3.752299      7.298517
  C      -8.076378     -2.410053      7.032518
  F      -8.834517     -1.695996      7.899453
  C      -7.590741     -1.791422      5.871023
  C      -7.890442     -0.398358      5.520767
  O      -7.792055      0.073245      4.392533
  C      -8.192623      0.663984      6.583266
  O      -7.422649      0.933211      7.472704
  C      -9.481006      1.471012      6.297609
  O     -10.459026      0.983932      5.813760
  Cl     -9.395908      3.152897      6.867027
  C      -6.837715     -2.562484      4.970401
  C      -3.169611     -6.039417      6.223688
  C      -2.974187     -5.014469      7.183027
  C      -3.492613     -5.108396      8.468817
  C      -4.203966     -6.248004      8.818858
  F      -4.719375     -6.333925     10.073937
  C      -4.390568     -7.310615      7.925219
  C      -5.182112     -8.506859      8.253862
  O      -5.319330     -9.465590      7.499630
  C      -5.914979     -8.612857      9.606418
  O      -5.593931     -9.397258     10.466298
  C      -7.185609     -7.732295      9.683289
  O      -7.553599     -7.040980      8.774457
  Cl     -8.044031     -7.857717     11.226571
  C      -3.850345     -7.198645      6.632331
  H      -1.311638     -1.972593      2.873567
  H      -1.267502      0.539533      2.894185
  H      -5.411339     -1.873198      1.540858
  H      -6.883128     -5.545421      6.609314
  H      -8.243194     -4.207840      8.203137
  H      -6.463313     -2.085298      4.063410
  H      -2.389213     -4.140717      6.899866
  H      -3.341274     -4.315632      9.201169
  H      -4.030319     -8.030576      5.952398
  N      -3.609201     -2.740016      5.148587
  N      -3.515209     -1.772639      5.744862
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469846803006
  N      -3.371528     -3.516558      2.296476
  C      -3.653566     -4.243236      1.051746
  C      -3.512167     -5.728331      1.333033
  N      -4.205281     -6.066159      2.606891
  C      -5.684598     -6.144288      2.434278
  C      -6.359644     -5.859032      3.764785
  N      -5.745398     -4.644107      4.332164
  Mo     -3.824454     -4.360903      4.030867
  N      -2.730822     -5.819442      4.908378
  C      -2.443910     -6.976220      4.053414
  C      -3.663400     -7.321272      3.203009
  H      -2.137273     -7.848150      4.653352
  H      -1.590714     -6.717482      3.407050
  H      -4.448886     -7.752083      3.837212
  H      -3.428735     -8.053742      2.411814
  H      -7.438701     -5.706462      3.600479
  H      -6.258516     -6.718608      4.454203
  H      -5.975632     -5.367695      1.713916
  H      -5.973640     -7.126695      2.024202
  H      -2.939245     -3.948881      0.264054
  H      -4.664007     -4.005431      0.669152
  H      -2.448917     -5.969678      1.469542
  H      -3.903119     -6.340182      0.502064
  C      -3.356922     -2.099564      2.203126
  C      -2.196814     -1.397551      2.586222
  C      -2.169273     -0.006478      2.611949
  C      -3.314599      0.688829      2.249699
  F      -3.287193      2.043737      2.281991
  C      -4.490370      0.034495      1.856034
  C      -5.744320      0.742093      1.548972
  O      -6.771149      0.187934      1.175758
  C      -5.862500      2.273582      1.676215
  O      -5.835753      3.004830      0.716836
  C      -6.103913      2.781148      3.122256
  O      -5.758407      2.174363      4.091678
  Cl     -6.890702      4.371530      3.184281
  C      -4.485229     -1.370555      1.819966
  C      -6.558258     -3.907410      5.225193
  C      -7.083519     -4.497886      6.394420
  C      -7.837719     -3.754241      7.299233
  C      -8.074490     -2.412199      7.032255
  F      -8.831616     -1.697427      7.899432
  C      -7.589555     -1.794488      5.870011
  C      -7.888996     -0.401507      5.518891
  O      -7.789773      0.069594      4.390522
  C      -8.189445      0.661104      6.581309
  O      -7.419504      0.927521      7.471814
  C      -9.473779      1.473783      6.294545
  O     -10.455309      0.989549      5.814744
  Cl     -9.382603      3.154353      6.866123
  C      -6.837434     -2.566219      4.969306
  C      -3.165656     -6.043217      6.222663
  C      -2.964281     -5.020057      7.182593
  C      -3.479874     -5.113349      8.469532
  C      -4.194938     -6.250460      8.819931
  F      -4.706993     -6.335985     10.076426
  C      -4.387871     -7.311368      7.925557
  C      -5.183540     -8.504636      8.254984
  O      -5.330573     -9.459962      7.498336
  C      -5.920483     -8.605147      9.605803
  O      -5.602417     -9.386356     10.469641
  C      -7.189297     -7.721411      9.676604
  O      -7.552082     -7.030806      8.765133
  Cl     -8.049758     -7.836256     11.219338
  C      -3.849931     -7.200303      6.631627
  H      -1.318832     -1.969360      2.889851
  H      -1.277932      0.542793      2.914541
  H      -5.411689     -1.872827      1.536123
  H      -6.881332     -5.547937      6.610812
  H      -8.240296     -4.209012      8.204602
  H      -6.463858     -2.089881      4.061351
  H      -2.376802     -4.148184      6.898643
  H      -3.323586     -4.322028      9.202403
  H      -4.034387     -8.030696      5.951069
  N      -3.609644     -2.746841      5.157374
  N      -3.518009     -1.783283      5.759616
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469862442165
  N      -3.371893     -3.516322      2.297274
  C      -3.654441     -4.242450      1.052477
  C      -3.513150     -5.727530      1.333419
  N      -4.206012     -6.065420      2.607370
  C      -5.685398     -6.142906      2.435213
  C      -6.360146     -5.858125      3.766032
  N      -5.745752     -4.643546      4.333865
  Mo     -3.824952     -4.360637      4.031703
  N      -2.731405     -5.819452      4.908590
  C      -2.444428     -6.975914      4.053273
  C      -3.664142     -7.320775      3.203087
  H      -2.137484     -7.847890      4.652961
  H      -1.591508     -6.716782      3.406681
  H      -4.449588     -7.751706      3.837262
  H      -3.429635     -8.053031      2.411635
  H      -7.439250     -5.705592      3.601999
  H      -6.258794     -6.718002      4.455023
  H      -5.976362     -5.365900      1.715263
  H      -5.974988     -7.125014      2.024767
  H      -2.940262     -3.948037      0.264665
  H      -4.664872     -4.004418      0.670020
  H      -2.449900     -5.968986      1.469770
  H      -3.904249     -6.339245      0.502426
  C      -3.357516     -2.099350      2.204873
  C      -2.197760     -1.397763      2.590104
  C      -2.169804     -0.006811      2.616298
  C      -3.314192      0.688944      2.251985
  F      -3.286255      2.043835      2.284699
  C      -4.489577      0.035176      1.856275
  C      -5.742561      0.743728      1.547355
  O      -6.769995      0.190250      1.174675
  C      -5.858552      2.275565      1.672136
  O      -5.837756      3.004695      0.711027
  C      -6.105551      2.784451      3.116682
  O      -5.762894      2.178365      4.087546
  Cl     -6.892671      4.374718      3.174781
  C      -4.485079     -1.369896      1.820289
  C      -6.558554     -3.906499      5.226628
  C      -7.084084     -4.496296      6.396039
  C      -7.838797     -3.752218      7.300093
  C      -8.075790     -2.410367      7.032214
  F      -8.833930     -1.695342      7.898282
  C      -7.590553     -1.793303      5.869738
  C      -7.889428     -0.400506      5.517466
  O      -7.790823      0.069169      4.388452
  C      -8.189054      0.663822      6.578626
  O      -7.419139      0.930504      7.468972
  C      -9.472920      1.476844      6.290169
  O     -10.453910      0.993197      5.808839
  Cl     -9.379563      3.159395      6.856161
  C      -6.837824     -2.565563      4.969954
  C      -3.165800     -6.044287      6.222789
  C      -2.964524     -5.022262      7.183918
  C      -3.480241     -5.117153      8.470695
  C      -4.195117     -6.254845      8.819754
  F      -4.707788     -6.341755     10.075895
  C      -4.387663     -7.314759      7.924187
  C      -5.183208     -8.508582      8.251964
  O      -5.326821     -9.464620      7.495560
  C      -5.917404     -8.612548      9.604006
  O      -5.597605     -9.395846     10.465336
  C      -7.184084     -7.726310      9.681113
  O      -7.547821     -7.031734      8.773040
  Cl     -8.037924     -7.840944     11.227626
  C      -3.849633     -7.202032      6.630463
  H      -1.320432     -1.969920      2.894962
  H      -1.278857      0.542143      2.920623
  H      -5.411247     -1.871840      1.534945
  H      -6.881834     -5.546172      6.613188
  H      -8.241719     -4.206528      8.205549
  H      -6.463775     -2.089506      4.062172
  H      -2.377384     -4.149836      6.901041
  H      -3.324322     -4.326582      9.204455
  H      -4.034059     -8.031649      5.948899
  N      -3.611310     -2.747416      5.159272
  N      -3.521644     -1.784364      5.762834
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -7799.084081627018
  N      -3.374638     -3.515377      2.300091
  C      -3.658965     -4.240096      1.054972
  C      -3.516415     -5.725294      1.334259
  N      -4.207490     -6.064626      2.608819
  C      -5.687134     -6.142201      2.438540
  C      -6.360552     -5.858596      3.770388
  N      -5.745867     -4.644361      4.338605
  Mo     -3.825523     -4.361292      4.034505
  N      -2.730530     -5.820388      4.908694
  C      -2.443873     -6.975932      4.051865
  C      -3.664359     -7.320456      3.202525
  H      -2.135948     -7.848309      4.650435
  H      -1.591799     -6.715735      3.404573
  H      -4.449021     -7.752514      3.836894
  H      -3.430271     -8.051632      2.409942
  H      -7.439887     -5.706417      3.607570
  H      -6.258101     -6.719001      4.458549
  H      -5.979142     -5.364718      1.719529
  H      -5.977137     -7.124029      2.027681
  H      -2.946198     -3.944513      0.266316
  H      -4.670071     -4.002349      0.674175
  H      -2.452855     -5.966178      1.469250
  H      -3.908045     -6.336547      0.503180
  C      -3.360882     -2.098378      2.210004
  C      -2.202919     -1.397255      2.601981
  C      -2.174583     -0.006484      2.629212
  C      -3.316662      0.689925      2.258874
  F      -3.287790      2.044803      2.291425
  C      -4.490322      0.036830      1.857016
  C      -5.741269      0.746478      1.542541
  O      -6.768174      0.193916      1.166886
  C      -5.855081      2.278845      1.662012
  O      -5.830811      3.004809      0.698585
  C      -6.113738      2.791524      3.103093
  O      -5.776700      2.188520      4.077840
  Cl     -6.903197      4.380867      3.151247
  C      -4.486325     -1.368266      1.820348
  C      -6.558624     -3.906026      5.230391
  C      -7.083913     -4.493432      6.401032
  C      -7.838875     -3.747524      7.303437
  C      -8.076289     -2.406256      7.032719
  F      -8.834693     -1.689515      7.897090
  C      -7.591356     -1.791635      5.868855
  C      -7.889496     -0.399524      5.513211
  O      -7.792141      0.066603      4.382620
  C      -8.185968      0.668710      6.571540
  O      -7.415357      0.935475      7.461169
  C      -9.467597      1.484373      6.280172
  O     -10.450420      1.001809      5.801697
  Cl     -9.368415      3.169213      6.839021
  C      -6.838339     -2.565810      4.970977
  C      -3.162956     -6.047442      6.223247
  C      -2.959859     -5.028045      7.186698
  C      -3.474529     -5.125729      8.473695
  C      -4.190057     -6.263693      8.820644
  F      -4.702742     -6.352879     10.076602
  C      -4.383971     -7.321329      7.922754
  C      -5.180426     -8.515273      8.247925
  O      -5.326318     -9.468658      7.488615
  C      -5.913986     -8.621916      9.600056
  O      -5.598208     -9.411863     10.456786
  C      -7.176386     -7.730104      9.682149
  O      -7.537242     -7.029203      8.777790
  Cl     -8.032152     -7.851484     11.227168
  C      -3.847050     -7.205739      6.628870
  H      -1.327284     -1.969901      2.910764
  H      -1.285034      0.542013      2.938415
  H      -5.411231     -1.869635      1.529989
  H      -6.881472     -5.542809      6.620428
  H      -8.241730     -4.199950      8.209874
  H      -6.464242     -2.091371      4.062493
  H      -2.372870     -4.155024      6.905312
  H      -3.317649     -4.336934      9.209158
  H      -4.032906     -8.033482      5.945427
  N      -3.613662     -2.750355      5.165185
  N      -3.527639     -1.789516      5.773018
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469844437002
  N      -3.383397     -3.512542      2.308925
  C      -3.673610     -4.232754      1.062881
  C      -3.526949     -5.718250      1.336985
  N      -4.212069     -6.062041      2.613620
  C      -5.692554     -6.139937      2.449635
  C      -6.361594     -5.860162      3.784855
  N      -5.746020     -4.647007      4.354331
  Mo     -3.827282     -4.363242      4.043464
  N      -2.727597     -5.823027      4.909094
  C      -2.441774     -6.975602      4.047424
  C      -3.664747     -7.319291      3.200918
  H      -2.130479     -7.849158      4.642408
  H      -1.592540     -6.711837      3.397806
  H      -4.446809     -7.754976      3.835983
  H      -3.432002     -8.047028      2.404756
  H      -7.441698     -5.709257      3.626004
  H      -6.255501     -6.722271      4.470306
  H      -5.988040     -5.360930      1.733699
  H      -5.983962     -7.120854      2.037480
  H      -2.965486     -3.933465      0.271428
  H      -4.686897     -3.995976      0.687482
  H      -2.462379     -5.957216      1.467520
  H      -3.920348     -6.328158      0.505766
  C      -3.372015     -2.095484      2.226440
  C      -2.220124     -1.395862      2.640223
  C      -2.190623     -0.005704      2.670781
  C      -3.325002      0.692813      2.280980
  F      -3.292934      2.047650      2.312781
  C      -4.492920      0.041919      1.859399
  C      -5.737104      0.755243      1.527187
  O      -6.762360      0.205779      1.142039
  C      -5.843195      2.289263      1.629192
  O      -5.808326      3.004516      0.658101
  C      -6.139971      2.814431      3.058121
  O      -5.821777      2.221492      4.045288
  Cl     -6.936161      4.400728      3.073409
  C      -4.490497     -1.363260      1.820501
  C      -6.558566     -3.904634      5.243103
  C      -7.082654     -4.484412      6.417865
  C      -7.838888     -3.733028      7.314837
  C      -8.078076     -2.393746      7.034948
  F      -8.837393     -1.671675      7.893909
  C      -7.594075     -1.786754      5.866739
  C      -7.889881     -0.396845      5.500489
  O      -7.796928      0.057906      4.364910
  C      -8.175806      0.683827      6.549856
  O      -7.402928      0.950605      7.437285
  C      -9.450220      1.507889      6.249176
  O     -10.439032      1.028950      5.780154
  Cl     -9.332033      3.199847      6.784805
  C      -6.840004     -2.566855      4.974874
  C      -3.153389     -6.057387      6.224808
  C      -2.944502     -5.046634      7.195821
  C      -3.455920     -5.153500      8.483404
  C      -4.173699     -6.292302      8.823281
  F      -4.686859     -6.388862     10.078440
  C      -4.371858     -7.342448      7.917817
  C      -5.171521     -8.536650      8.234268
  O      -5.324466     -9.481418      7.465643
  C      -5.904507     -8.651185      9.585897
  O      -5.604068     -9.462975     10.427600
  C      -7.151696     -7.739939      9.683147
  O      -7.501389     -7.018521      8.790577
  Cl     -8.015719     -7.881916     11.222097
  C      -3.838231     -7.217541      6.623614
  H      -1.350069     -1.970081      2.961604
  H      -1.305773      0.541332      2.995663
  H      -5.411124     -1.862800      1.513992
  H      -6.877170     -5.531210      6.645226
  H      -8.240964     -4.179389      8.224653
  H      -6.465825     -2.097491      4.064166
  H      -2.358148     -4.171570      6.919372
  H      -3.296088     -4.370525      9.224422
  H      -4.028723     -8.039082      5.934019
  N      -3.621728     -2.759684      5.184007
  N      -3.548696     -1.806125      5.805715
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469564395867
  N      -3.382313     -3.508686      2.308728
  C      -3.667634     -4.229742      1.061175
  C      -3.520659     -5.716600      1.332262
  N      -4.210102     -6.065834      2.605118
  C      -5.689533     -6.148454      2.434729
  C      -6.361330     -5.868723      3.767687
  N      -5.746996     -4.654038      4.335286
  Mo     -3.825997     -4.368273      4.037901
  N      -2.727162     -5.830796      4.902799
  C      -2.444052     -6.983737      4.041896
  C      -3.664877     -7.323619      3.191698
  H      -2.138311     -7.859194      4.637256
  H      -1.591251     -6.723347      3.395752
  H      -4.448442     -7.759760      3.824740
  H      -3.431082     -8.050594      2.395256
  H      -7.441003     -5.716635      3.607397
  H      -6.256778     -6.729651      4.454873
  H      -5.984945     -5.370951      1.717212
  H      -5.975339     -7.130884      2.022716
  H      -2.958095     -3.928231      0.271965
  H      -4.680940     -3.993764      0.685008
  H      -2.456378     -5.955766      1.464545
  H      -3.912029     -6.323694      0.497968
  C      -3.365637     -2.091693      2.221141
  C      -2.210938     -1.390826      2.621619
  C      -2.184130      0.000637      2.653007
  C      -3.324589      0.697480      2.277905
  F      -3.299910      2.052041      2.319491
  C      -4.494209      0.044136      1.864757
  C      -5.742996      0.751129      1.537469
  O      -6.768685      0.194782      1.164300
  C      -5.866542      2.282522      1.659630
  O      -5.796818      3.013376      0.701943
  C      -6.122268      2.797279      3.100528
  O      -5.784637      2.198535      4.077684
  Cl     -6.916869      4.384870      3.145276
  C      -4.488591     -1.361004      1.825679
  C      -6.561579     -3.913876      5.223398
  C      -7.088423     -4.498786      6.394847
  C      -7.842708     -3.750198      7.295598
  C      -8.077403     -2.409150      7.022342
  F      -8.833556     -1.689046      7.885915
  C      -7.589819     -1.797442      5.858072
  C      -7.884316     -0.405171      5.501224
  O      -7.779391      0.062317      4.371851
  C      -8.180643      0.661135      6.559772
  O      -7.407957      0.924675      7.449186
  C      -9.455674      1.485936      6.268931
  O     -10.439414      1.012086      5.782565
  Cl     -9.341827      3.171929      6.817317
  C      -6.837949     -2.573082      4.961286
  C      -3.160760     -6.056319      6.217469
  C      -2.947946     -5.035919      7.177737
  C      -3.457247     -5.127428      8.467224
  C      -4.178999     -6.259561      8.819174
  F      -4.676914     -6.346569     10.081259
  C      -4.386901     -7.316674      7.923114
  C      -5.191164     -8.503432      8.255357
  O      -5.324735     -9.470594      7.511453
  C      -5.914717     -8.604443      9.613738
  O      -5.556571     -9.348150     10.494922
  C      -7.202230     -7.747569      9.686920
  O      -7.594813     -7.084304      8.767605
  Cl     -8.013633     -7.817860     11.258392
  C      -3.852738     -7.208651      6.627160
  H      -1.336907     -1.963867      2.934145
  H      -1.296876      0.548610      2.969606
  H      -5.411200     -1.861552      1.526616
  H      -6.885722     -5.547508      6.616648
  H      -8.245782     -4.200278      8.203054
  H      -6.462472     -2.100589      4.051272
  H      -2.354182     -4.168826      6.892163
  H      -3.289539     -4.339461      9.201219
  H      -4.045779     -8.036569      5.945973
  N      -3.609635     -2.765127      5.184047
  N      -3.515170     -1.809263      5.796451
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469576920203
  N      -3.375724     -3.515277      2.298527
  C      -3.674753     -4.232915      1.051128
  C      -3.524592     -5.721907      1.323205
  N      -4.206571     -6.068187      2.605152
  C      -5.686336     -6.148303      2.448819
  C      -6.351402     -5.861406      3.782610
  N      -5.737651     -4.653245      4.349410
  Mo     -3.821586     -4.366421      4.035277
  N      -2.725813     -5.827842      4.902422
  C      -2.437008     -6.979340      4.038843
  C      -3.660444     -7.325687      3.194617
  H      -2.124281     -7.853114      4.633509
  H      -1.588361     -6.713710      3.389082
  H      -4.442605     -7.755002      3.833725
  H      -3.431149     -8.056784      2.400088
  H      -7.427988     -5.707031      3.622468
  H      -6.252405     -6.720254      4.470146
  H      -5.989170     -5.377081      1.727441
  H      -5.978301     -7.131763      2.043860
  H      -2.971305     -3.932549      0.256318
  H      -4.689660     -3.995772      0.683279
  H      -2.459274     -5.960362      1.448887
  H      -3.921179     -6.331382      0.493861
  C      -3.363533     -2.101785      2.224266
  C      -2.216026     -1.399443      2.642910
  C      -2.191929     -0.009162      2.677947
  C      -3.328652      0.686829      2.291207
  F      -3.303267      2.041405      2.331365
  C      -4.493801      0.032808      1.866951
  C      -5.741030      0.741537      1.538149
  O      -6.767111      0.187572      1.161903
  C      -5.853794      2.274881      1.644395
  O      -5.809513      2.993476      0.676086
  C      -6.132087      2.800331      3.077074
  O      -5.804890      2.207691      4.061521
  Cl     -6.925428      4.388119      3.100418
  C      -4.484488     -1.372661      1.821475
  C      -6.559909     -3.905083      5.229449
  C      -7.076881     -4.484370      6.405573
  C      -7.846369     -3.736913      7.298333
  C      -8.081991     -2.393799      7.021689
  F      -8.840628     -1.672915      7.881859
  C      -7.597203     -1.786700      5.853729
  C      -7.881338     -0.389929      5.500286
  O      -7.777866      0.079486      4.371622
  C      -8.171831      0.676359      6.564366
  O      -7.407586      0.926509      7.464291
  C      -9.443567      1.504945      6.270063
  O     -10.429161      1.028830      5.790889
  Cl     -9.335122      3.188493      6.832434
  C      -6.840143     -2.568080      4.966067
  C      -3.146052     -6.058395      6.220781
  C      -2.939875     -5.038964      7.183345
  C      -3.464298     -5.128324      8.467101
  C      -4.185111     -6.261804      8.815420
  F      -4.695700     -6.348146     10.072381
  C      -4.388600     -7.316431      7.916296
  C      -5.180305     -8.513307      8.245225
  O      -5.318743     -9.469173      7.487735
  C      -5.910296     -8.623063      9.599964
  O      -5.555450     -9.384483     10.467269
  C      -7.189086     -7.755795      9.685834
  O      -7.552947     -7.050603      8.786024
  Cl     -8.036993     -7.897533     11.233237
  C      -3.845772     -7.208670      6.623971
  H      -1.344049     -1.970849      2.964087
  H      -1.309478      0.539665      3.006291
  H      -5.403390     -1.874810      1.514024
  H      -6.871421     -5.531019      6.630339
  H      -8.258217     -4.191201      8.198188
  H      -6.464842     -2.096439      4.058759
  H      -2.352756     -4.166918      6.899356
  H      -3.303782     -4.338377      9.200599
  H      -4.050775     -8.029053      5.937558
  N      -3.616472     -2.750263      5.171920
  N      -3.548247     -1.797423      5.794721
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469597652523
  N      -3.378795     -3.511633      2.308831
  C      -3.659724     -4.232482      1.060272
  C      -3.516613     -5.718261      1.335581
  N      -4.212840     -6.061430      2.606739
  C      -5.692178     -6.136513      2.430583
  C      -6.367905     -5.858694      3.762303
  N      -5.752114     -4.648894      4.336814
  Mo     -3.829597     -4.365748      4.040233
  N      -2.736531     -5.828393      4.910946
  C      -2.453365     -6.982925      4.051605
  C      -3.672803     -7.320126      3.197561
  H      -2.151057     -7.859012      4.647898
  H      -1.597709     -6.725423      3.407800
  H      -4.459424     -7.753960      3.828447
  H      -3.438562     -8.049073      2.402908
  H      -7.447087     -5.706381      3.599595
  H      -6.264120     -6.722763      4.445636
  H      -5.980372     -5.354179      1.715455
  H      -5.981230     -7.116090      2.013651
  H      -2.945715     -3.933924      0.273701
  H      -4.670751     -3.995025      0.679327
  H      -2.453034     -5.957911      1.474209
  H      -3.904510     -6.326734      0.500793
  C      -3.364380     -2.093526      2.222792
  C      -2.211063     -1.393327      2.629414
  C      -2.181713     -0.002792      2.658858
  C      -3.318664      0.695036      2.275926
  F      -3.288025      2.049696      2.309274
  C      -4.487371      0.043122      1.857381
  C      -5.731403      0.755952      1.524031
  O      -6.756128      0.207049      1.136337
  C      -5.835376      2.289421      1.625032
  O      -5.799880      3.003603      0.652912
  C      -6.148484      2.814814      3.049802
  O      -5.831092      2.229909      4.041786
  Cl     -6.978592      4.384730      3.052502
  C      -4.485503     -1.361891      1.822189
  C      -6.560948     -3.909485      5.231751
  C      -7.079842     -4.492018      6.408603
  C      -7.826093     -3.741519      7.311845
  C      -8.067162     -2.403506      7.037399
  F      -8.814620     -1.683288      7.908360
  C      -7.591313     -1.792920      5.867973
  C      -7.890536     -0.400641      5.510241
  O      -7.807433      0.060606      4.376562
  C      -8.179476      0.666646      6.572437
  O      -7.414723      0.914686      7.472756
  C      -9.448906      1.501818      6.282779
  O     -10.440297      1.035197      5.805574
  Cl     -9.327095      3.184547      6.842632
  C      -6.844281     -2.570658      4.968522
  C      -3.159463     -6.057652      6.228578
  C      -2.947103     -5.043396      7.195362
  C      -3.459474     -5.142360      8.483689
  C      -4.178284     -6.278705      8.830287
  F      -4.682703     -6.371235     10.089322
  C      -4.378216     -7.333380      7.930143
  C      -5.163067     -8.535288      8.256165
  O      -5.330829     -9.472034      7.480623
  C      -5.909056     -8.645242      9.602130
  O      -5.588190     -9.414230     10.475481
  C      -7.164705     -7.742988      9.673955
  O      -7.517887     -7.043803      8.765264
  Cl     -8.032374     -7.852393     11.212056
  C      -3.852462     -7.210973      6.633092
  H      -1.340894     -1.967372      2.950968
  H      -1.297119      0.543813      2.985103
  H      -5.409792     -1.861510      1.527113
  H      -6.872754     -5.539061      6.632664
  H      -8.218665     -4.187004      8.225512
  H      -6.478987     -2.103571      4.054938
  H      -2.357412     -4.172276      6.913974
  H      -3.298273     -4.355071      9.219807
  H      -4.047243     -8.032885      5.945070
  N      -3.617403     -2.759942      5.181500
  N      -3.536572     -1.805409      5.800063
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469708223094
  N      -3.375369     -3.509333      2.309187
  C      -3.657885     -4.230873      1.061840
  C      -3.513617     -5.715879      1.336998
  N      -4.208467     -6.060023      2.607097
  C      -5.687721     -6.137725      2.430458
  C      -6.363696     -5.861528      3.762823
  N      -5.746630     -4.650241      4.337926
  Mo     -3.824971     -4.365384      4.039048
  N      -2.730561     -5.827107      4.909443
  C      -2.448173     -6.981192      4.049891
  C      -3.668147     -7.318302      3.197074
  H      -2.145663     -7.857357      4.645686
  H      -1.592845     -6.723558      3.405760
  H      -4.454361     -7.751571      3.829008
  H      -3.434956     -8.047317      2.402400
  H      -7.443958     -5.708879      3.599954
  H      -6.259993     -6.726784      4.446063
  H      -5.977415     -5.355864      1.715495
  H      -5.975353     -7.117647      2.012847
  H      -2.944942     -3.932249      0.274129
  H      -4.669898     -3.993886      0.682180
  H      -2.449796     -5.954814      1.475030
  H      -3.901544     -6.324900      0.502370
  C      -3.362547     -2.088941      2.219566
  C      -2.210467     -1.384694      2.623631
  C      -2.185204      0.006543      2.648404
  C      -3.325015      0.700155      2.265356
  F      -3.298603      2.055163      2.295097
  C      -4.493135      0.043687      1.852266
  C      -5.740899      0.751006      1.520476
  O      -6.764451      0.196590      1.138017
  C      -5.852438      2.284407      1.618179
  O      -5.796376      2.998746      0.647110
  C      -6.147424      2.816110      3.044895
  O      -5.823471      2.233899      4.036447
  Cl     -6.964809      4.392849      3.049721
  C      -4.486571     -1.360903      1.819205
  C      -6.553266     -3.912810      5.233851
  C      -7.064469     -4.500175      6.408529
  C      -7.813131     -3.751582      7.320165
  C      -8.057573     -2.407571      7.047003
  F      -8.804242     -1.689972      7.919973
  C      -7.583936     -1.796760      5.875807
  C      -7.884028     -0.405583      5.518599
  O      -7.801095      0.054693      4.384639
  C      -8.169189      0.662035      6.579549
  O      -7.403679      0.912296      7.478549
  C      -9.439208      1.495034      6.290862
  O     -10.427939      1.022503      5.813984
  Cl     -9.324728      3.176957      6.853985
  C      -6.838711     -2.573158      4.972383
  C      -3.157194     -6.056297      6.225463
  C      -2.941535     -5.043121      7.192581
  C      -3.456920     -5.139206      8.479571
  C      -4.185638     -6.269013      8.823012
  F      -4.710867     -6.351101     10.074151
  C      -4.397592     -7.318297      7.919796
  C      -5.204296     -8.505548      8.244107
  O      -5.347430     -9.464114      7.490831
  C      -5.920978     -8.617142      9.604926
  O      -5.567129     -9.373977     10.476117
  C      -7.210856     -7.765563      9.684369
  O      -7.600361     -7.086600      8.775144
  Cl     -8.052854     -7.893653     11.235029
  C      -3.853789     -7.207915      6.628576
  H      -1.337762     -1.955106      2.944780
  H      -1.301182      0.556661      2.970245
  H      -5.409385     -1.863914      1.525252
  H      -6.853876     -5.547389      6.628006
  H      -8.201578     -4.203907      8.232606
  H      -6.475643     -2.104899      4.057467
  H      -2.347053     -4.174759      6.912475
  H      -3.290791     -4.354127      9.216974
  H      -4.049434     -8.029919      5.940889
  N      -3.614415     -2.760922      5.184880
  N      -3.534233     -1.806565      5.803216
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.468696790510
  N      -3.377091     -3.513314      2.298404
  C      -3.668260     -4.231480      1.049844
  C      -3.518230     -5.722103      1.319390
  N      -4.202634     -6.071884      2.599939
  C      -5.681572     -6.148207      2.441082
  C      -6.348494     -5.862512      3.772903
  N      -5.737707     -4.653926      4.336503
  Mo     -3.821852     -4.368986      4.033412
  N      -2.720946     -5.827683      4.898352
  C      -2.434309     -6.981739      4.037184
  C      -3.655471     -7.328534      3.190347
  H      -2.123588     -7.854566      4.634247
  H      -1.585052     -6.720412      3.386543
  H      -4.438264     -7.759935      3.826954
  H      -3.422745     -8.059175      2.396198
  H      -7.424949     -5.711415      3.613648
  H      -6.248470     -6.719506      4.461711
  H      -5.979842     -5.373139      1.721682
  H      -5.974657     -7.131054      2.035813
  H      -2.962358     -3.928959      0.258642
  H      -4.681179     -3.995256      0.677109
  H      -2.453495     -5.960106      1.447937
  H      -3.912838     -6.329188      0.487448
  C      -3.369143     -2.101786      2.225321
  C      -2.217732     -1.400291      2.635687
  C      -2.191775     -0.009675      2.671526
  C      -3.330858      0.686630      2.291178
  F      -3.305147      2.041437      2.330753
  C      -4.499805      0.032976      1.876815
  C      -5.751615      0.738097      1.556575
  O      -6.773494      0.181039      1.174251
  C      -5.880555      2.269626      1.677911
  O      -5.817267      3.000639      0.720071
  C      -6.143737      2.779696      3.119354
  O      -5.805610      2.177368      4.094264
  Cl     -6.919735      4.375395      3.167705
  C      -4.490272     -1.372082      1.825599
  C      -6.558359     -3.912678      5.218901
  C      -7.102650     -4.485714      6.399643
  C      -7.852486     -3.737864      7.276041
  C      -8.081300     -2.413855      7.008810
  F      -8.843856     -1.697922      7.872405
  C      -7.593829     -1.794342      5.850769
  C      -7.875189     -0.400451      5.500999
  O      -7.747079      0.074176      4.377186
  C      -8.166607      0.663637      6.559443
  O      -7.395364      0.918940      7.451343
  C      -9.440981      1.492782      6.268194
  O     -10.425247      1.021690      5.781750
  Cl     -9.317490      3.181527      6.809270
  C      -6.837853     -2.571650      4.960005
  C      -3.150178     -6.053453      6.214760
  C      -2.935724     -5.033644      7.174734
  C      -3.448347     -5.123605      8.463773
  C      -4.179030     -6.247643      8.812505
  F      -4.702348     -6.322507     10.064615
  C      -4.394222     -7.300982      7.914711
  C      -5.205903     -8.483740      8.246608
  O      -5.346574     -9.450054      7.502800
  C      -5.914087     -8.584639      9.613924
  O      -5.547469     -9.339106     10.482220
  C      -7.206123     -7.739925      9.701553
  O      -7.597929     -7.059827      8.794188
  Cl     -8.031102     -7.867511     11.263539
  C      -3.845886     -7.203509      6.624324
  H      -1.343117     -1.974090      2.945131
  H      -1.303733      0.539131      2.984538
  H      -5.407086     -1.873606      1.510782
  H      -6.906770     -5.533534      6.630501
  H      -8.267822     -4.187401      8.178976
  H      -6.467785     -2.101502      4.045857
  H      -2.341260     -4.166481      6.890237
  H      -3.281477     -4.334554      9.196785
  H      -4.046636     -8.029825      5.943173
  N      -3.611445     -2.761898      5.166485
  N      -3.524269     -1.808645      5.785626
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469729752632
  N      -3.375552     -3.510358      2.307246
  C      -3.658659     -4.230164      1.058612
  C      -3.514678     -5.718014      1.331048
  N      -4.208533     -6.063316      2.604334
  C      -5.687494     -6.137531      2.432199
  C      -6.360545     -5.857350      3.763774
  N      -5.745936     -4.649230      4.337783
  Mo     -3.827238     -4.365558      4.038864
  N      -2.733310     -5.827830      4.907482
  C      -2.447593     -6.981650      4.047140
  C      -3.666942     -7.321778      3.194683
  H      -2.142400     -7.856546      4.643676
  H      -1.593825     -6.721763      3.401862
  H      -4.452622     -7.754939      3.826848
  H      -3.432770     -8.050905      2.400002
  H      -7.438407     -5.703298      3.601141
  H      -6.259528     -6.720383      4.447549
  H      -5.977155     -5.356775      1.715679
  H      -5.978801     -7.117461      2.018099
  H      -2.946452     -3.930222      0.271506
  H      -4.669710     -3.992483      0.679193
  H      -2.451210     -5.957961      1.467501
  H      -3.904180     -6.325410      0.496416
  C      -3.365491     -2.095185      2.226154
  C      -2.212250     -1.393955      2.631020
  C      -2.184399     -0.003184      2.658312
  C      -3.321988      0.693410      2.274354
  F      -3.292691      2.048226      2.305063
  C      -4.491944      0.039844      1.862272
  C      -5.739494      0.747811      1.531574
  O      -6.767506      0.191486      1.164280
  C      -5.856902      2.280718      1.638522
  O      -5.805010      3.000724      0.671649
  C      -6.145164      2.803608      3.069907
  O      -5.818242      2.212980      4.055555
  Cl     -6.943613      4.389230      3.090299
  C      -4.487253     -1.365392      1.826391
  C      -6.563783     -3.913905      5.230035
  C      -7.082184     -4.502357      6.400939
  C      -7.840144     -3.755511      7.306153
  C      -8.078752     -2.410793      7.033501
  F      -8.832908     -1.693399      7.900144
  C      -7.597598     -1.797491      5.866926
  C      -7.887927     -0.401903      5.510668
  O      -7.782915      0.064161      4.380773
  C      -8.176702      0.668586      6.572306
  O      -7.409184      0.921214      7.468731
  C      -9.447667      1.501327      6.280116
  O     -10.437167      1.034097      5.799828
  Cl     -9.317147      3.189791      6.821127
  C      -6.847073     -2.573268      4.970543
  C      -3.160889     -6.056944      6.223288
  C      -2.947368     -5.041395      7.188403
  C      -3.458135     -5.137998      8.477343
  C      -4.183010     -6.269630      8.823676
  F      -4.689825     -6.358411     10.081911
  C      -4.383750     -7.326110      7.925613
  C      -5.177667     -8.521544      8.253697
  O      -5.342170     -9.466132      7.487126
  C      -5.910709     -8.626133      9.606268
  O      -5.577020     -9.391226     10.478448
  C      -7.174304     -7.736399      9.683569
  O      -7.537369     -7.043425      8.774040
  Cl     -8.021161     -7.835971     11.235011
  C      -3.853231     -7.210146      6.629688
  H      -1.338674     -1.966493      2.945762
  H      -1.296884      0.545364      2.973189
  H      -5.407988     -1.866808      1.523103
  H      -6.875014     -5.550252      6.620364
  H      -8.243149     -4.205738      8.213586
  H      -6.480867     -2.101087      4.057362
  H      -2.355348     -4.171746      6.906666
  H      -3.294947     -4.350565      9.212943
  H      -4.047765     -8.034697      5.944734
  N      -3.617467     -2.760018      5.178691
  N      -3.534010     -1.804724      5.795160
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469716193892
  N      -3.376534     -3.509773      2.304802
  C      -3.655582     -4.230893      1.056170
  C      -3.509612     -5.716157      1.332706
  N      -4.206804     -6.062507      2.601445
  C      -5.685591     -6.142064      2.424117
  C      -6.366139     -5.865629      3.754231
  N      -5.753110     -4.652785      4.330137
  Mo     -3.831838     -4.366139      4.033816
  N      -2.738369     -5.825133      4.909320
  C      -2.451061     -6.979651      4.051149
  C      -3.667197     -7.320246      3.193650
  H      -2.148852     -7.854654      4.648801
  H      -1.594179     -6.720396      3.409644
  H      -4.456135     -7.753796      3.822060
  H      -3.429339     -8.048978      2.400059
  H      -7.446615     -5.718217      3.588625
  H      -6.262989     -6.729650      4.439075
  H      -5.979017     -5.364559      1.705967
  H      -5.971406     -7.123607      2.008710
  H      -2.940476     -3.932562      0.270188
  H      -4.666133     -3.994991      0.672198
  H      -2.445659     -5.953280      1.473284
  H      -3.895150     -6.326387      0.497940
  C      -3.364144     -2.088953      2.219329
  C      -2.209464     -1.386735      2.620411
  C      -2.182759      0.004244      2.647319
  C      -3.322534      0.699222      2.266573
  F      -3.294223      2.054276      2.296897
  C      -4.493162      0.044979      1.857372
  C      -5.740728      0.757188      1.535517
  O      -6.766738      0.209326      1.150031
  C      -5.840050      2.291428      1.629907
  O      -5.787648      3.003198      0.656857
  C      -6.140547      2.824500      3.054886
  O      -5.826671      2.238209      4.047377
  Cl     -6.935550      4.412406      3.056564
  C      -4.488420     -1.359618      1.821959
  C      -6.560665     -3.916186      5.224997
  C      -7.075203     -4.506902      6.399134
  C      -7.821605     -3.760940      7.307576
  C      -8.064589     -2.419538      7.042569
  F      -8.812210     -1.706403      7.919047
  C      -7.590639     -1.801054      5.875405
  C      -7.885685     -0.412874      5.522351
  O      -7.799964      0.048771      4.389229
  C      -8.168536      0.650151      6.580387
  O      -7.407275      0.894074      7.484046
  C      -9.434180      1.486608      6.286310
  O     -10.423626      1.020496      5.805390
  Cl     -9.318097      3.165984      6.856244
  C      -6.846491     -2.575267      4.968411
  C      -3.162098     -6.052091      6.227313
  C      -2.943555     -5.038355      7.192673
  C      -3.454558     -5.134847      8.482011
  C      -4.183311     -6.262524      8.826424
  F      -4.701844     -6.345752     10.080288
  C      -4.395971     -7.313140      7.924629
  C      -5.199445     -8.502594      8.252927
  O      -5.357139     -9.454419      7.494172
  C      -5.914750     -8.611982      9.616436
  O      -5.565049     -9.374806     10.484065
  C      -7.194638     -7.747916      9.700850
  O      -7.573642     -7.059201      8.794483
  Cl     -8.039175     -7.877236     11.250319
  C      -3.855933     -7.204610      6.631961
  H      -1.335554     -1.959160      2.934494
  H      -1.294981      0.553196      2.960748
  H      -5.410393     -1.861861      1.524178
  H      -6.866200     -5.555167      6.615952
  H      -8.217934     -4.209561      8.218612
  H      -6.483364     -2.103767      4.054925
  H      -2.350085     -4.170046      6.910305
  H      -3.287892     -4.348538      9.217974
  H      -4.055600     -8.026403      5.944969
  N      -3.631588     -2.764132      5.182473
  N      -3.561466     -1.811907      5.806048
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469838652721
  N      -3.375354     -3.511178      2.303226
  C      -3.654577     -4.232323      1.054514
  C      -3.511062     -5.719493      1.329140
  N      -4.206980     -6.064710      2.600773
  C      -5.685901     -6.139351      2.426522
  C      -6.361278     -5.860554      3.757585
  N      -5.748625     -4.650039      4.331579
  Mo     -3.829695     -4.365625      4.034392
  N      -2.735859     -5.825372      4.907356
  C      -2.448988     -6.980642      4.049446
  C      -3.665912     -7.322096      3.193607
  H      -2.145264     -7.854780      4.647785
  H      -1.593476     -6.721684      3.406075
  H      -4.453387     -7.755918      3.823322
  H      -3.428370     -8.051293      2.400118
  H      -7.440390     -5.711075      3.594575
  H      -6.257584     -6.723570      4.441875
  H      -5.975320     -5.358712      1.709897
  H      -5.976555     -7.119450      2.011729
  H      -2.939606     -3.933671      0.269033
  H      -4.664456     -3.995094      0.671048
  H      -2.447555     -5.958602      1.467970
  H      -3.898813     -6.327931      0.494361
  C      -3.366043     -2.093948      2.221500
  C      -2.211260     -1.392499      2.622753
  C      -2.183970     -0.001715      2.652321
  C      -3.323448      0.694496      2.273389
  F      -3.295058      2.049399      2.306832
  C      -4.493943      0.041097      1.862720
  C      -5.742083      0.751086      1.538858
  O      -6.769388      0.198761      1.163576
  C      -5.852734      2.284390      1.642762
  O      -5.802113      3.002560      0.674419
  C      -6.140145      2.809332      3.073609
  O      -5.818706      2.216479      4.059799
  Cl     -6.932302      4.398179      3.092417
  C      -4.489406     -1.363947      1.825159
  C      -6.562598     -3.915959      5.226059
  C      -7.081384     -4.505492      6.399099
  C      -7.831921     -3.760053      7.304761
  C      -8.073052     -2.419255      7.036880
  F      -8.825424     -1.704991      7.908293
  C      -7.595912     -1.802761      5.870934
  C      -7.887402     -0.408113      5.515701
  O      -7.786627      0.056280      4.384599
  C      -8.173038      0.662430      6.574964
  O      -7.406181      0.914419      7.472022
  C      -9.441752      1.496936      6.279934
  O     -10.430071      1.028984      5.798380
  Cl     -9.316787      3.183138      6.830238
  C      -6.848388     -2.576361      4.969016
  C      -3.161869     -6.051857      6.224130
  C      -2.944438     -5.036539      7.188578
  C      -3.453002     -5.132487      8.478168
  C      -4.181682     -6.262536      8.824913
  F      -4.695980     -6.346838     10.080595
  C      -4.390461     -7.315842      7.925075
  C      -5.193473     -8.504391      8.252346
  O      -5.352527     -9.455085      7.492373
  C      -5.911436     -8.612339      9.612840
  O      -5.566307     -9.375143     10.482467
  C      -7.188849     -7.741618      9.694900
  O      -7.568840     -7.056492      8.786187
  Cl     -8.029277     -7.855888     11.248414
  C      -3.854496     -7.204558      6.631136
  H      -1.337004     -1.965431      2.934858
  H      -1.295930      0.546791      2.965827
  H      -5.410871     -1.865478      1.524385
  H      -6.873277     -5.553449      6.617526
  H      -8.230072     -4.212015      8.213379
  H      -6.486854     -2.104351      4.054512
  H      -2.351450     -4.167978      6.905781
  H      -3.286903     -4.345466      9.213526
  H      -4.050741     -8.028604      5.945995
  N      -3.625815     -2.762727      5.178260
  N      -3.547658     -1.807669      5.796322
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469845312149
  N      -3.378051     -3.512004      2.302793
  C      -3.660683     -4.232803      1.055051
  C      -3.513012     -5.719342      1.328920
  N      -4.205576     -6.066147      2.601278
  C      -5.684696     -6.145150      2.429353
  C      -6.361377     -5.865249      3.759909
  N      -5.749091     -4.652871      4.332287
  Mo     -3.830242     -4.366818      4.034306
  N      -2.734938     -5.825582      4.906730
  C      -2.445459     -6.979425      4.048090
  C      -3.662376     -7.322831      3.193210
  H      -2.140004     -7.853138      4.646025
  H      -1.590912     -6.718456      3.404260
  H      -4.448962     -7.756676      3.824038
  H      -3.424730     -8.051736      2.399570
  H      -7.440708     -5.715691      3.595439
  H      -6.259701     -6.727235      4.446293
  H      -5.978111     -5.368246      1.710322
  H      -5.973328     -7.127018      2.017213
  H      -2.948406     -3.932869      0.267518
  H      -4.672250     -3.997101      0.674478
  H      -2.448774     -5.956448      1.465595
  H      -3.901330     -6.328690      0.494971
  C      -3.366574     -2.093764      2.220346
  C      -2.212418     -1.392953      2.625296
  C      -2.185219     -0.002168      2.657776
  C      -3.323974      0.694834      2.277927
  F      -3.296221      2.049699      2.315683
  C      -4.493527      0.042234      1.863413
  C      -5.741624      0.752275      1.538930
  O      -6.770078      0.199034      1.168253
  C      -5.855117      2.285336      1.646540
  O      -5.804764      3.005599      0.679797
  C      -6.140527      2.807676      3.078929
  O      -5.819321      2.212353      4.063751
  Cl     -6.929784      4.397874      3.101871
  C      -4.488982     -1.362650      1.823059
  C      -6.562224     -3.916200      5.223967
  C      -7.082264     -4.503742      6.397305
  C      -7.833769     -3.756342      7.301608
  C      -8.073721     -2.414976      7.032364
  F      -8.825871     -1.698867      7.902294
  C      -7.595019     -1.800061      5.865843
  C      -7.884617     -0.407130      5.511141
  O      -7.785483      0.057322      4.379978
  C      -8.168619      0.661730      6.569831
  O      -7.401272      0.912368      7.466818
  C      -9.436906      1.496469      6.274695
  O     -10.426230      1.029211      5.794532
  Cl     -9.311175      3.181433      6.827903
  C      -6.847317     -2.575818      4.965253
  C      -3.160683     -6.052686      6.223721
  C      -2.945093     -5.036710      7.187721
  C      -3.456019     -5.131386      8.476689
  C      -4.183829     -6.260667      8.823275
  F      -4.696965     -6.345088     10.079279
  C      -4.390078     -7.315342      7.924521
  C      -5.190850     -8.505703      8.253093
  O      -5.353417     -9.454538      7.491521
  C      -5.911456     -8.612757      9.612507
  O      -5.566165     -9.379172     10.478789
  C      -7.186400     -7.739604      9.698000
  O      -7.560039     -7.047784      8.791902
  Cl     -8.027040     -7.859242     11.251167
  C      -3.854441     -7.204856      6.630351
  H      -1.338979     -1.966378      2.938746
  H      -1.298119      0.545850      2.974797
  H      -5.410182     -1.863486      1.520264
  H      -6.875205     -5.551562      6.617133
  H      -8.234040     -4.207069      8.210077
  H      -6.482888     -2.103250      4.051960
  H      -2.353217     -4.167451      6.904720
  H      -3.291826     -4.343411      9.211460
  H      -4.052357     -8.028769      5.945602
  N      -3.628359     -2.760334      5.174881
  N      -3.552379     -1.806137      5.794487
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469861860703
  N      -3.375584     -3.511775      2.302150
  C      -3.655677     -4.232691      1.053978
  C      -3.510934     -5.719374      1.328697
  N      -4.206183     -6.064774      2.599973
  C      -5.685178     -6.140893      2.425864
  C      -6.362048     -5.862114      3.756480
  N      -5.749663     -4.650844      4.330552
  Mo     -3.830461     -4.365622      4.033374
  N      -2.737112     -5.824820      4.907130
  C      -2.448802     -6.979717      4.049506
  C      -3.665151     -7.321755      3.193246
  H      -2.145277     -7.853645      4.648159
  H      -1.592988     -6.720490      3.406609
  H      -4.452858     -7.755075      3.823037
  H      -3.427138     -8.051144      2.400140
  H      -7.441263     -5.712511      3.592236
  H      -6.259616     -6.724967      4.441470
  H      -5.975462     -5.361431      1.708319
  H      -5.975123     -7.121445      2.011623
  H      -2.941210     -3.933910      0.268027
  H      -4.666011     -3.995855      0.671039
  H      -2.447252     -5.957805      1.467349
  H      -3.898513     -6.328247      0.494083
  C      -3.365805     -2.094293      2.220530
  C      -2.211674     -1.393209      2.624040
  C      -2.184554     -0.002536      2.655745
  C      -3.323880      0.694100      2.277167
  F      -3.296062      2.048929      2.313649
  C      -4.493674      0.041117      1.863993
  C      -5.741616      0.751328      1.540021
  O      -6.768971      0.199092      1.164707
  C      -5.852166      2.284805      1.642264
  O      -5.800493      3.001865      0.673174
  C      -6.140214      2.811436      3.072430
  O      -5.822035      2.218069      4.059379
  Cl     -6.929569      4.401584      3.089401
  C      -4.488840     -1.363926      1.824349
  C      -6.562484     -3.916066      5.225297
  C      -7.079568     -4.505530      6.398471
  C      -7.829828     -3.759363      7.304972
  C      -8.071437     -2.418110      7.036699
  F      -8.822485     -1.702880      7.908287
  C      -7.594966     -1.802275      5.869949
  C      -7.887954     -0.409202      5.514866
  O      -7.792465      0.054412      4.383086
  C      -8.171730      0.660399      6.573871
  O      -7.405031      0.910778      7.471463
  C      -9.439307      1.496132      6.277896
  O     -10.429319      1.029306      5.798757
  Cl     -9.312617      3.181908      6.828826
  C      -6.848504     -2.576542      4.967121
  C      -3.162290     -6.051356      6.224196
  C      -2.944741     -5.036514      7.189002
  C      -3.454099     -5.132263      8.478416
  C      -4.182493     -6.261867      8.824796
  F      -4.695193     -6.346840     10.080960
  C      -4.390586     -7.315366      7.925112
  C      -5.193028     -8.504569      8.252806
  O      -5.356892     -9.452828      7.490793
  C      -5.910420     -8.613162      9.613312
  O      -5.566307     -9.379772     10.479850
  C      -7.186058     -7.740406      9.698318
  O      -7.562492     -7.050727      8.791817
  Cl     -8.026402     -7.858346     11.251537
  C      -3.856148     -7.203477      6.630412
  H      -1.337926     -1.966391      2.937119
  H      -1.297505      0.545652      2.972575
  H      -5.410417     -1.865230      1.523507
  H      -6.870973     -5.553427      6.616923
  H      -8.228252     -4.209910      8.214421
  H      -6.485723     -2.103762      4.053354
  H      -2.352247     -4.167578      6.906192
  H      -3.288324     -4.345313      9.213904
  H      -4.053788     -8.026866      5.944849
  N      -3.629928     -2.761297      5.175954
  N      -3.556375     -1.807094      5.795837
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469869297191
  N      -3.374553     -3.512267      2.301190
  C      -3.654240     -4.233439      1.053173
  C      -3.510237     -5.720030      1.328256
  N      -4.205816     -6.064714      2.599303
  C      -5.684886     -6.140198      2.424620
  C      -6.362015     -5.861560      3.755259
  N      -5.749536     -4.650265      4.329644
  Mo     -3.830138     -4.365077      4.032690
  N      -2.737440     -5.824302      4.906846
  C      -2.449176     -6.979676      4.049822
  C      -3.665288     -7.321576      3.193192
  H      -2.146239     -7.853468      4.648956
  H      -1.592972     -6.721139      3.407161
  H      -4.453248     -7.754606      3.822855
  H      -3.427079     -8.051263      2.400425
  H      -7.441233     -5.711565      3.590746
  H      -6.259836     -6.724593      4.440147
  H      -5.974062     -5.359970      1.707458
  H      -5.975306     -7.120377      2.009844
  H      -2.939284     -3.935065      0.267487
  H      -4.664346     -3.996325      0.669692
  H      -2.446678     -5.958833      1.467214
  H      -3.897761     -6.328896      0.493589
  C      -3.365363     -2.094830      2.219778
  C      -2.211326     -1.393726      2.623727
  C      -2.184266     -0.003100      2.656144
  C      -3.323696      0.693626      2.278003
  F      -3.296046      2.048434      2.315134
  C      -4.493315      0.040719      1.864261
  C      -5.741031      0.751009      1.539912
  O      -6.768693      0.198785      1.165311
  C      -5.851677      2.284463      1.641977
  O      -5.800099      3.001320      0.672737
  C      -6.141343      2.811006      3.071844
  O      -5.825289      2.216929      4.059069
  Cl     -6.929842      4.401505      3.088200
  C      -4.488371     -1.364352      1.823736
  C      -6.561826     -3.916372      5.225787
  C      -7.077453     -4.506108      6.399383
  C      -7.826824     -3.760151      7.306582
  C      -8.069477     -2.419365      7.038341
  F      -8.819859     -1.704298      7.910640
  C      -7.594514     -1.803437      5.871193
  C      -7.890034     -0.410419      5.515736
  O      -7.796902      0.052649      4.383513
  C      -8.172862      0.660438      6.574853
  O      -7.405358      0.911517      7.471610
  C      -9.439996      1.496941      6.278411
  O     -10.431176      1.030259      5.801584
  Cl     -9.311466      3.183362      6.827524
  C      -6.848944     -2.577204      4.967406
  C      -3.162221     -6.050456      6.224107
  C      -2.943896     -5.035958      7.189101
  C      -3.452916     -5.131786      8.478600
  C      -4.181779     -6.261286      8.824972
  F      -4.694805     -6.346000     10.081030
  C      -4.391167     -7.314140      7.924858
  C      -5.195748     -8.501875      8.251918
  O      -5.361096     -9.449718      7.489687
  C      -5.910681     -8.611482      9.613490
  O      -5.566578     -9.379652     10.478640
  C      -7.187644     -7.740350      9.699419
  O      -7.565858     -7.051219      8.793254
  Cl     -8.028087     -7.861470     11.252285
  C      -3.856932     -7.202150      6.630047
  H      -1.337623     -1.966942      2.936894
  H      -1.297557      0.545048      2.974001
  H      -5.410049     -1.865531      1.522994
  H      -6.867980     -5.553880      6.617763
  H      -8.224152     -4.210479      8.216586
  H      -6.486898     -2.104113      4.053619
  H      -2.351323     -4.167067      6.906194
  H      -3.286392     -4.345241      9.214350
  H      -4.054948     -8.025262      5.944269
  N      -3.631093     -2.760970      5.174646
  N      -3.559516     -1.806702      5.794726
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469878572495
  N      -3.372320     -3.513494      2.299627
  C      -3.653024     -4.234743      1.052161
  C      -3.509958     -5.721129      1.327528
  N      -4.205243     -6.064561      2.598487
  C      -5.684501     -6.139617      2.423509
  C      -6.361965     -5.860553      3.754217
  N      -5.748640     -4.649363      4.328834
  Mo     -3.828845     -4.364284      4.031694
  N      -2.737648     -5.824138      4.905688
  C      -2.449504     -6.980017      4.049403
  C      -3.665775     -7.321422      3.192964
  H      -2.147489     -7.853647      4.649190
  H      -1.592896     -6.722610      3.406837
  H      -4.453909     -7.753231      3.823214
  H      -3.428236     -8.051818      2.400674
  H      -7.440837     -5.708045      3.588580
  H      -6.262049     -6.723711      4.439400
  H      -5.972440     -5.358703      1.706601
  H      -5.975534     -7.119369      2.008276
  H      -2.938144     -3.936828      0.266222
  H      -4.663233     -3.997034      0.669090
  H      -2.446548     -5.960815      1.466069
  H      -3.897951     -6.329969      0.493003
  C      -3.363785     -2.096166      2.218667
  C      -2.211067     -1.394801      2.626384
  C      -2.185028     -0.004271      2.661730
  C      -3.324460      0.692471      2.283489
  F      -3.298611      2.047162      2.325023
  C      -4.492551      0.039480      1.865748
  C      -5.740411      0.749012      1.540933
  O      -6.766924      0.196306      1.163670
  C      -5.852671      2.282378      1.641510
  O      -5.799169      2.998547      0.671839
  C      -6.144011      2.809774      3.070708
  O      -5.831602      2.214783      4.058578
  Cl     -6.929975      4.401382      3.085568
  C      -4.486354     -1.365567      1.821708
  C      -6.559990     -3.916184      5.226694
  C      -7.072787     -4.505442      6.401357
  C      -7.821319     -3.759181      7.309278
  C      -8.065810     -2.419163      7.039931
  F      -8.814911     -1.703519      7.912862
  C      -7.593356     -1.804238      5.871506
  C      -7.893825     -0.411754      5.515120
  O      -7.806622      0.050096      4.381999
  C      -8.174566      0.661045      6.574359
  O      -7.405159      0.913580      7.469077
  C      -9.440908      1.498861      6.277467
  O     -10.435204      1.032550      5.806854
  Cl     -9.306863      3.187210      6.820118
  C      -6.849060     -2.578176      4.966693
  C      -3.161832     -6.049771      6.223157
  C      -2.943043     -5.035342      7.188132
  C      -3.452604     -5.130466      8.477324
  C      -4.181510     -6.260247      8.824119
  F      -4.693670     -6.345066     10.080540
  C      -4.391903     -7.312718      7.923780
  C      -5.198298     -8.498920      8.250518
  O      -5.368128     -9.444883      7.486889
  C      -5.909644     -8.610485      9.613406
  O      -5.565611     -9.383693     10.474071
  C      -7.188179     -7.741164      9.702987
  O      -7.566567     -7.048866      8.799359
  Cl     -8.028840     -7.871222     11.254949
  C      -3.858976     -7.200315      6.628418
  H      -1.337773     -1.967784      2.941149
  H      -1.300117      0.543973      2.984400
  H      -5.407793     -1.866570      1.519912
  H      -6.861732     -5.552752      6.620449
  H      -8.217178     -4.208399      8.220390
  H      -6.487090     -2.104228      4.053479
  H      -2.350744     -4.166346      6.904769
  H      -3.285446     -4.344182      9.213216
  H      -4.058317     -8.022848      5.942416
  N      -3.632155     -2.758753      5.170552
  N      -3.564519     -1.804311      5.790900
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469882533616
  N      -3.371318     -3.513312      2.299752
  C      -3.652553     -4.234349      1.052168
  C      -3.509821     -5.720815      1.327634
  N      -4.205494     -6.064132      2.598502
  C      -5.684629     -6.139180      2.423170
  C      -6.362262     -5.859717      3.753667
  N      -5.748302     -4.649210      4.328635
  Mo     -3.828492     -4.364137      4.031624
  N      -2.737958     -5.824498      4.905406
  C      -2.450161     -6.980528      4.049169
  C      -3.666621     -7.321359      3.192770
  H      -2.148591     -7.854317      4.648988
  H      -1.593338     -6.723458      3.406752
  H      -4.454852     -7.752837      3.823119
  H      -3.429651     -8.051879      2.400402
  H      -7.440684     -5.705611      3.587352
  H      -6.263936     -6.722885      4.438882
  H      -5.972642     -5.358387      1.706165
  H      -5.975393     -7.118958      2.007887
  H      -2.937842     -3.936478      0.266094
  H      -4.662785     -3.996410      0.669478
  H      -2.446488     -5.960900      1.466177
  H      -3.897752     -6.329615      0.493063
  C      -3.362746     -2.096038      2.219021
  C      -2.210513     -1.394511      2.627921
  C      -2.184768     -0.003955      2.663092
  C      -3.323867      0.692607      2.283454
  F      -3.298083      2.047315      2.324314
  C      -4.491587      0.039402      1.864946
  C      -5.739174      0.748838      1.538816
  O      -6.766957      0.195634      1.165664
  C      -5.851595      2.282120      1.639892
  O      -5.797649      2.998430      0.670349
  C      -6.145286      2.809235      3.068677
  O      -5.834128      2.214454      4.057061
  Cl     -6.930714      4.401160      3.082356
  C      -4.485164     -1.365618      1.821135
  C      -6.559593     -3.916058      5.226504
  C      -7.072098     -4.505504      6.401225
  C      -7.820766     -3.759499      7.309191
  C      -8.065436     -2.419421      7.040010
  F      -8.814485     -1.704222      7.913385
  C      -7.593168     -1.804053      5.871676
  C      -7.894940     -0.412212      5.515623
  O      -7.809497      0.049577      4.382398
  C      -8.175507      0.660049      6.574842
  O      -7.406561      0.911838      7.470113
  C      -9.441059      1.498901      6.278111
  O     -10.436134      1.032946      5.808797
  Cl     -9.305902      3.186988      6.821165
  C      -6.848898     -2.578057      4.966551
  C      -3.162168     -6.049869      6.222954
  C      -2.943346     -5.035263      7.187659
  C      -3.452707     -5.130390      8.476990
  C      -4.181159     -6.260164      8.823989
  F      -4.692691     -6.345097     10.080640
  C      -4.391870     -7.312655      7.923718
  C      -5.198414     -8.498772      8.250847
  O      -5.369469     -9.444247      7.486886
  C      -5.909436     -8.610509      9.614029
  O      -5.565282     -9.384993     10.473537
  C      -7.187511     -7.740917      9.705053
  O      -7.565651     -7.047144      8.802451
  Cl     -8.028133     -7.873796     11.256688
  C      -3.859410     -7.200359      6.628196
  H      -1.337291     -1.967286      2.943255
  H      -1.300081      0.544443      2.986107
  H      -5.406245     -1.866678      1.518359
  H      -6.860865     -5.552806      6.620148
  H      -8.216623     -4.209175      8.220121
  H      -6.486011     -2.103816      4.053810
  H      -2.351012     -4.166384      6.904001
  H      -3.285470     -4.344029      9.212777
  H      -4.059036     -8.022850      5.942221
  N      -3.632081     -2.758509      5.170460
  N      -3.565555     -1.804396      5.791375
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469884386887
  N      -3.371294     -3.513261      2.300195
  C      -3.653811     -4.234241      1.052715
  C      -3.510490     -5.720710      1.327954
  N      -4.205591     -6.064329      2.599177
  C      -5.684688     -6.140270      2.424198
  C      -6.362271     -5.860005      3.754498
  N      -5.747658     -4.649715      4.329196
  Mo     -3.828069     -4.364258      4.032092
  N      -2.737452     -5.825141      4.904962
  C      -2.449473     -6.980979      4.048549
  C      -3.666248     -7.321782      3.192634
  H      -2.147462     -7.854716      4.648204
  H      -1.592956     -6.723464      3.405927
  H      -4.454048     -7.753572      3.823306
  H      -3.429761     -8.052070      2.399898
  H      -7.440362     -5.704281      3.587530
  H      -6.265540     -6.722934      4.440192
  H      -5.973627     -5.360262      1.706705
  H      -5.974753     -7.120502      2.009549
  H      -2.939996     -3.936004      0.265992
  H      -4.664491     -3.996482      0.671126
  H      -2.447061     -5.960786      1.465789
  H      -3.898653     -6.329609      0.493556
  C      -3.362451     -2.095774      2.219169
  C      -2.210169     -1.394281      2.628470
  C      -2.184615     -0.003672      2.663831
  C      -3.323568      0.692916      2.283707
  F      -3.297855      2.047650      2.324679
  C      -4.491312      0.039728      1.865159
  C      -5.739528      0.748878      1.540468
  O      -6.766983      0.195519      1.166627
  C      -5.852364      2.282096      1.641579
  O      -5.797370      2.998603      0.672229
  C      -6.145534      2.809248      3.070466
  O      -5.834421      2.214300      4.058770
  Cl     -6.927112      4.403117      3.084397
  C      -4.484687     -1.365194      1.820707
  C      -6.559431     -3.916458      5.226088
  C      -7.073001     -4.505671      6.400661
  C      -7.822311     -3.759688      7.308103
  C      -8.066617     -2.419443      7.038776
  F      -8.816438     -1.704546      7.911776
  C      -7.593681     -1.803875      5.870759
  C      -7.895509     -0.412219      5.514914
  O      -7.809273      0.049830      4.381872
  C      -8.176425      0.660221      6.573694
  O      -7.407243      0.912595      7.468584
  C      -9.441902      1.499274      6.277074
  O     -10.437299      1.033179      5.808594
  Cl     -9.305143      3.187949      6.817847
  C      -6.848688     -2.578126      4.966272
  C      -3.162294     -6.050376      6.222431
  C      -2.944297     -5.035059      7.186543
  C      -3.453221     -5.130254      8.476107
  C      -4.180697     -6.260235      8.823561
  F      -4.691461     -6.345266     10.080493
  C      -4.390632     -7.313367      7.923829
  C      -5.197356     -8.499375      8.251353
  O      -5.368725     -9.444839      7.487415
  C      -5.909576     -8.610386      9.614109
  O      -5.565582     -9.385722     10.472974
  C      -7.186690     -7.739841      9.705820
  O      -7.564471     -7.045752      8.803320
  Cl     -8.026355     -7.872694     11.258020
  C      -3.858791     -7.201214      6.628060
  H      -1.336746     -1.966964      2.943364
  H      -1.299611      0.544800      2.985863
  H      -5.405438     -1.866084      1.516649
  H      -6.862114     -5.552971      6.619780
  H      -8.218632     -4.210144      8.218433
  H      -6.484304     -2.103593      4.054194
  H      -2.352303     -4.166115      6.902484
  H      -3.286642     -4.343368      9.211485
  H      -4.057822     -8.024323      5.942686
  N      -3.631158     -2.758110      5.170344
  N      -3.563757     -1.803813      5.790884
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469886387647
  N      -3.370012     -3.513384      2.300067
  C      -3.652671     -4.234185      1.052451
  C      -3.510165     -5.720609      1.327884
  N      -4.205968     -6.063807      2.598889
  C      -5.685028     -6.139211      2.423481
  C      -6.362833     -5.859076      3.753671
  N      -5.747526     -4.649380      4.329053
  Mo     -3.827853     -4.364077      4.031817
  N      -2.738191     -5.825660      4.904683
  C      -2.450529     -6.981544      4.048295
  C      -3.667359     -7.321666      3.192155
  H      -2.148908     -7.855411      4.647917
  H      -1.593797     -6.724201      3.405899
  H      -4.455472     -7.753344      3.822547
  H      -3.431152     -8.051882      2.399280
  H      -7.440800     -5.702514      3.586357
  H      -6.266784     -6.722335      4.439091
  H      -5.973788     -5.358957      1.706185
  H      -5.975040     -7.119289      2.008433
  H      -2.938597     -3.936282      0.265835
  H      -4.663182     -3.995957      0.670710
  H      -2.446901     -5.961248      1.466056
  H      -3.898317     -6.329454      0.493428
  C      -3.361633     -2.095812      2.219093
  C      -2.210067     -1.393856      2.629485
  C      -2.185319     -0.003286      2.665612
  C      -3.324363      0.692849      2.285095
  F      -3.299559      2.047564      2.327339
  C      -4.491359      0.039233      1.865130
  C      -5.739788      0.748116      1.540762
  O      -6.767470      0.194641      1.167742
  C      -5.852222      2.281348      1.641380
  O      -5.797508      2.997447      0.671715
  C      -6.144605      2.809177      3.070190
  O      -5.834121      2.214159      4.058669
  Cl     -6.925218      4.403527      3.083738
  C      -4.484049     -1.365678      1.820327
  C      -6.559203     -3.916084      5.226120
  C      -7.072154     -4.505459      6.400892
  C      -7.821144     -3.759610      7.308536
  C      -8.066022     -2.419540      7.039124
  F      -8.815443     -1.704726      7.912576
  C      -7.593866     -1.804038      5.870835
  C      -7.896668     -0.412575      5.514596
  O      -7.812700      0.048629      4.381043
  C      -8.176928      0.660342      6.572833
  O      -7.408029      0.912719      7.467918
  C      -9.442198      1.499604      6.275982
  O     -10.438414      1.033568      5.809229
  Cl     -9.303745      3.189439      6.812769
  C      -6.848882     -2.578311      4.966151
  C      -3.162935     -6.050714      6.222197
  C      -2.945092     -5.035116      7.186092
  C      -3.453642     -5.130361      8.475776
  C      -4.180519     -6.260751      8.823702
  F      -4.690600     -6.346044     10.080906
  C      -4.390335     -7.314056      7.924173
  C      -5.196626     -8.500200      8.252100
  O      -5.367962     -9.445733      7.488220
  C      -5.908674     -8.611199      9.614826
  O      -5.565208     -9.387130     10.473391
  C      -7.185243     -7.739958      9.706860
  O      -7.562417     -7.044689      8.805041
  Cl     -8.024609     -7.872561     11.259218
  C      -3.858994     -7.201759      6.628064
  H      -1.336758     -1.966220      2.945233
  H      -1.301045      0.545444      2.989206
  H      -5.404588     -1.866902      1.516182
  H      -6.860850     -5.552654      6.620033
  H      -8.217036     -4.209381      8.219338
  H      -6.483898     -2.103578      4.054499
  H      -2.353417     -4.166098      6.901677
  H      -3.287245     -4.343159      9.210863
  H      -4.058121     -8.024861      5.942741
  N      -3.631215     -2.757506      5.169789
  N      -3.564781     -1.803015      5.790227
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469887157156
  N      -3.369815     -3.513355      2.300276
  C      -3.652898     -4.234071      1.052712
  C      -3.510361     -5.720436      1.328065
  N      -4.206122     -6.063652      2.599162
  C      -5.685126     -6.138997      2.423730
  C      -6.362860     -5.858990      3.753879
  N      -5.747293     -4.649487      4.329458
  Mo     -3.827727     -4.364031      4.032039
  N      -2.738167     -5.825916      4.904612
  C      -2.450532     -6.981664      4.048196
  C      -3.667402     -7.321641      3.192103
  H      -2.148712     -7.855518      4.647716
  H      -1.593923     -6.724088      3.405731
  H      -4.455447     -7.753685      3.822360
  H      -3.431205     -8.051606      2.399005
  H      -7.440838     -5.702359      3.586669
  H      -6.266723     -6.722347      4.439193
  H      -5.973938     -5.358704      1.706492
  H      -5.974963     -7.119123      2.008653
  H      -2.939071     -3.936149      0.265879
  H      -4.663521     -3.995799      0.671296
  H      -2.447106     -5.961080      1.466212
  H      -3.898618     -6.329306      0.493674
  C      -3.361674     -2.095764      2.219114
  C      -2.210089     -1.393818      2.629232
  C      -2.185348     -0.003268      2.665464
  C      -3.324399      0.692840      2.285041
  F      -3.299440      2.047566      2.327105
  C      -4.491405      0.039222      1.865078
  C      -5.739920      0.748185      1.541129
  O      -6.767535      0.194853      1.167811
  C      -5.851984      2.281450      1.641762
  O      -5.797597      2.997472      0.672033
  C      -6.144412      2.809366      3.070570
  O      -5.834542      2.214078      4.059078
  Cl     -6.924267      4.404085      3.084047
  C      -4.484120     -1.365709      1.820408
  C      -6.559205     -3.916192      5.226366
  C      -7.072472     -4.505563      6.401038
  C      -7.821449     -3.759757      7.308694
  C      -8.066351     -2.419585      7.039269
  F      -8.815872     -1.704800      7.912646
  C      -7.594170     -1.804180      5.870964
  C      -7.896919     -0.412725      5.514481
  O      -7.812978      0.048115      4.380730
  C      -8.176901      0.660609      6.572170
  O      -7.408052      0.913145      7.467278
  C      -9.441995      1.500144      6.275019
  O     -10.438536      1.033914      5.809180
  Cl     -9.303326      3.189945      6.811852
  C      -6.848824     -2.578459      4.966542
  C      -3.163142     -6.050972      6.222002
  C      -2.945976     -5.034983      7.185678
  C      -3.454311     -5.130331      8.475442
  C      -4.180517     -6.261064      8.823692
  F      -4.690533     -6.346368     10.080925
  C      -4.389804     -7.314678      7.924433
  C      -5.195851     -8.500989      8.252422
  O      -5.365868     -9.447148      7.489005
  C      -5.908721     -8.611596      9.614731
  O      -5.566017     -9.387270     10.473859
  C      -7.184806     -7.739745      9.705972
  O      -7.561890     -7.044851      8.803824
  Cl     -8.024376     -7.870714     11.258431
  C      -3.858343     -7.202379      6.628246
  H      -1.336770     -1.966234      2.944866
  H      -1.300986      0.545422      2.988879
  H      -5.404640     -1.866970      1.516259
  H      -6.861233     -5.552763      6.620182
  H      -8.217111     -4.209794      8.219483
  H      -6.483155     -2.103722      4.055130
  H      -2.354753     -4.165734      6.901093
  H      -3.288451     -4.342735      9.210233
  H      -4.056893     -8.025801      5.943123
  N      -3.630903     -2.757293      5.170009
  N      -3.564158     -1.802739      5.790284
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469888415249
  N      -3.369622     -3.513265      2.300459
  C      -3.653439     -4.233915      1.052999
  C      -3.510662     -5.720244      1.328207
  N      -4.206213     -6.063481      2.599519
  C      -5.685180     -6.138828      2.424199
  C      -6.362711     -5.859059      3.754414
  N      -5.746900     -4.649709      4.330181
  Mo     -3.827512     -4.363926      4.032323
  N      -2.738048     -5.826207      4.904569
  C      -2.450393     -6.981724      4.048009
  C      -3.667387     -7.321609      3.192135
  H      -2.148211     -7.855584      4.647334
  H      -1.594030     -6.723835      3.405327
  H      -4.455310     -7.753922      3.822389
  H      -3.431299     -8.051346      2.398797
  H      -7.440768     -5.702683      3.587605
  H      -6.266125     -6.722505      4.439581
  H      -5.974117     -5.358571      1.706979
  H      -5.974896     -7.119027      2.009168
  H      -2.940079     -3.935949      0.265746
  H      -4.664285     -3.995652      0.672186
  H      -2.447368     -5.960712      1.466305
  H      -3.899093     -6.329209      0.493975
  C      -3.361835     -2.095618      2.219081
  C      -2.210345     -1.393585      2.629088
  C      -2.185657     -0.003051      2.665472
  C      -3.324801      0.692942      2.285204
  F      -3.299808      2.047683      2.327173
  C      -4.491789      0.039242      1.865304
  C      -5.740386      0.748266      1.541666
  O      -6.767901      0.195039      1.168036
  C      -5.852076      2.281601      1.642388
  O      -5.798362      2.997468      0.672519
  C      -6.143951      2.809743      3.071297
  O      -5.834966      2.213974      4.059788
  Cl     -6.922141      4.405251      3.084827
  C      -4.484395     -1.365713      1.820525
  C      -6.559097     -3.916311      5.226828
  C      -7.072776     -4.505479      6.401539
  C      -7.821728     -3.759629      7.309110
  C      -8.066594     -2.419386      7.039348
  F      -8.816283     -1.704436      7.912373
  C      -7.594464     -1.804257      5.870941
  C      -7.897356     -0.412862      5.513917
  O      -7.813686      0.047321      4.379804
  C      -8.176626      0.661240      6.570922
  O      -7.407957      0.913779      7.466238
  C      -9.441517      1.501068      6.273402
  O     -10.438615      1.034213      5.809365
  Cl     -9.301930      3.191555      6.807865
  C      -6.848659     -2.578585      4.967073
  C      -3.163362     -6.051471      6.221724
  C      -2.947177     -5.035056      7.185260
  C      -3.455164     -5.130635      8.475124
  C      -4.180444     -6.261838      8.823707
  F      -4.690526     -6.347156     10.080907
  C      -4.389153     -7.315734      7.924695
  C      -5.194762     -8.502388      8.252593
  O      -5.362685     -9.449458      7.489825
  C      -5.909044     -8.612475      9.614221
  O      -5.567594     -9.388122     10.473901
  C      -7.184173     -7.739345      9.704822
  O      -7.561313     -7.045151      8.802123
  Cl     -8.024049     -7.868267     11.257422
  C      -3.857304     -7.203418      6.628477
  H      -1.337021     -1.966041      2.944680
  H      -1.301312      0.545622      2.988947
  H      -5.404895     -1.867068      1.516478
  H      -6.861641     -5.552643      6.620854
  H      -8.217069     -4.209916      8.219924
  H      -6.481937     -2.103924      4.056071
  H      -2.356536     -4.165440      6.900635
  H      -3.289947     -4.342644      9.209638
  H      -4.054924     -8.027330      5.943627
  N      -3.630524     -2.756739      5.170076
  N      -3.563454     -1.802158      5.790187
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469889162458
  N      -3.369581     -3.513140      2.300556
  C      -3.653793     -4.233800      1.053205
  C      -3.510879     -5.720128      1.328308
  N      -4.206192     -6.063367      2.599745
  C      -5.685200     -6.138709      2.424604
  C      -6.362446     -5.859185      3.755016
  N      -5.746623     -4.649795      4.330745
  Mo     -3.827298     -4.363812      4.032508
  N      -2.737892     -5.826305      4.904628
  C      -2.450195     -6.981646      4.047903
  C      -3.667303     -7.321525      3.192239
  H      -2.147801     -7.855553      4.647058
  H      -1.593994     -6.723615      3.405060
  H      -4.455102     -7.753850      3.822625
  H      -3.431322     -8.051206      2.398818
  H      -7.440615     -5.703146      3.588698
  H      -6.265319     -6.722660      4.440073
  H      -5.974137     -5.358360      1.707493
  H      -5.975038     -7.118860      2.009539
  H      -2.940705     -3.935827      0.265705
  H      -4.664777     -3.995549      0.672748
  H      -2.447544     -5.960443      1.466335
  H      -3.899439     -6.329113      0.494162
  C      -3.361934     -2.095512      2.219073
  C      -2.210489     -1.393414      2.629025
  C      -2.185822     -0.002877      2.665427
  C      -3.325085      0.693036      2.285323
  F      -3.300174      2.047781      2.327275
  C      -4.492071      0.039268      1.865533
  C      -5.740644      0.748229      1.541629
  O      -6.767970      0.194933      1.167616
  C      -5.852404      2.281592      1.642434
  O      -5.799005      2.997378      0.672489
  C      -6.143872      2.809851      3.071407
  O      -5.835387      2.213829      4.059897
  Cl     -6.921144      4.405785      3.084957
  C      -4.484585     -1.365694      1.820659
  C      -6.558832     -3.916335      5.227357
  C      -7.072676     -4.505204      6.402208
  C      -7.821536     -3.759208      7.309712
  C      -8.066370     -2.418971      7.039635
  F      -8.816093     -1.703778      7.912398
  C      -7.594292     -1.804161      5.871083
  C      -7.897581     -0.412956      5.513604
  O      -7.814472      0.046704      4.379222
  C      -8.176437      0.661579      6.570287
  O      -7.407980      0.913952      7.465853
  C      -9.441090      1.501614      6.272465
  O     -10.438575      1.034264      5.809720
  Cl     -9.300963      3.192610      6.805033
  C      -6.848318     -2.578592      4.967510
  C      -3.163443     -6.051822      6.221582
  C      -2.947936     -5.035233      7.185149
  C      -3.456165     -5.130814      8.474885
  C      -4.180986     -6.262327      8.823495
  F      -4.691139     -6.347752     10.080662
  C      -4.389155     -7.316374      7.924551
  C      -5.194169     -8.503445      8.252287
  O      -5.360714     -9.450986      7.489803
  C      -5.909366     -8.613345      9.613478
  O      -5.568753     -9.389175     10.473342
  C      -7.183928     -7.739335      9.703889
  O      -7.561104     -7.045645      8.800781
  Cl     -8.023466     -7.866435     11.256888
  C      -3.856948     -7.203974      6.628450
  H      -1.337152     -1.965877      2.944586
  H      -1.301534      0.545805      2.989032
  H      -5.405127     -1.867099      1.516826
  H      -6.861624     -5.552332      6.621731
  H      -8.216638     -4.209588      8.220582
  H      -6.481067     -2.104039      4.056664
  H      -2.357583     -4.165365      6.900664
  H      -3.291317     -4.342724      9.209371
  H      -4.053941     -8.028148      5.943714
  N      -3.630160     -2.756438      5.170134
  N      -3.562949     -1.801927      5.790269
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469889446360
  N      -3.369744     -3.512942      2.300580
  C      -3.654228     -4.233694      1.053364
  C      -3.511186     -5.720046      1.328391
  N      -4.206112     -6.063309      2.599978
  C      -5.685226     -6.138694      2.425256
  C      -6.361927     -5.859478      3.756059
  N      -5.746287     -4.649870      4.331525
  Mo     -3.827033     -4.363669      4.032659
  N      -2.737624     -5.826253      4.904852
  C      -2.449790     -6.981354      4.047836
  C      -3.667020     -7.321393      3.192413
  H      -2.147099     -7.855342      4.646742
  H      -1.593776     -6.723096      3.404846
  H      -4.454621     -7.753671      3.823043
  H      -3.431104     -8.051073      2.398974
  H      -7.440289     -5.704022      3.590520
  H      -6.263898     -6.722965      4.440967
  H      -5.974218     -5.358164      1.708370
  H      -5.975383     -7.118720      2.010122
  H      -2.941358     -3.935744      0.265653
  H      -4.665331     -3.995484      0.673191
  H      -2.447780     -5.960158      1.466247
  H      -3.899894     -6.329017      0.494322
  C      -3.362090     -2.095364      2.219019
  C      -2.210596     -1.393175      2.628724
  C      -2.185960     -0.002619      2.664986
  C      -3.325423      0.693194      2.285183
  F      -3.300674      2.047944      2.327083
  C      -4.492477      0.039338      1.865758
  C      -5.741031      0.748142      1.541425
  O      -6.768091      0.194669      1.166947
  C      -5.853093      2.281500      1.642507
  O      -5.800241      2.997315      0.672555
  C      -6.143654      2.809730      3.071678
  O      -5.835259      2.213450      4.060039
  Cl     -6.920084      4.406060      3.085595
  C      -4.484910     -1.365617      1.820905
  C      -6.558371     -3.916295      5.228097
  C      -7.072313     -4.504647      6.403234
  C      -7.821111     -3.758398      7.310585
  C      -8.065844     -2.418198      7.040077
  F      -8.815614     -1.702682      7.912510
  C      -7.593785     -1.803844      5.871316
  C      -7.897552     -0.412928      5.513242
  O      -7.815128      0.046110      4.378575
  C      -8.176207      0.662013      6.569713
  O      -7.408241      0.914072      7.465787
  C      -9.440578      1.502082      6.271415
  O     -10.438273      1.033991      5.809778
  Cl     -9.300116      3.193801      6.801222
  C      -6.847727     -2.578474      4.968058
  C      -3.163478     -6.052186      6.221546
  C      -2.948730     -5.035516      7.185259
  C      -3.457790     -5.130947      8.474637
  C      -4.182338     -6.262762      8.823019
  F      -4.692903     -6.348289     10.080016
  C      -4.389735     -7.316929      7.924030
  C      -5.193742     -8.504711      8.251515
  O      -5.358597     -9.452707      7.489248
  C      -5.909829     -8.614591      9.612268
  O      -5.569937     -9.390717     10.472159
  C      -7.183826     -7.739635      9.702860
  O      -7.561316     -7.046744      8.799232
  Cl     -8.022371     -7.864572     11.256580
  C      -3.856808     -7.204479      6.628328
  H      -1.337176     -1.965587      2.944152
  H      -1.301698      0.546121      2.988557
  H      -5.405583     -1.867073      1.517550
  H      -6.861401     -5.551719      6.623078
  H      -8.216062     -4.208873      8.221453
  H      -6.480196     -2.104095      4.057256
  H      -2.358466     -4.165445      6.901160
  H      -3.293285     -4.342946      9.209291
  H      -4.053112     -8.028867      5.943647
  N      -3.629550     -2.756213      5.170207
  N      -3.562057     -1.801815      5.790445
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca E -8050.469890025955
  N      -3.369898     -3.512861      2.300455
  C      -3.654126     -4.233719      1.053252
  C      -3.511164     -5.720088      1.328363
  N      -4.206031     -6.063356      2.599917
  C      -5.685194     -6.138742      2.425349
  C      -6.361703     -5.859615      3.756319
  N      -5.746255     -4.649849      4.331629
  Mo     -3.827008     -4.363608      4.032538
  N      -2.737605     -5.826064      4.905027
  C      -2.449671     -6.981142      4.047952
  C      -3.666844     -7.321333      3.192465
  H      -2.146981     -7.855153      4.646835
  H      -1.593613     -6.722847      3.405040
  H      -4.454419     -7.753578      3.823133
  H      -3.430806     -8.051068      2.399112
  H      -7.440126     -5.704357      3.590999
  H      -6.263375     -6.723106      4.441162
  H      -5.974182     -5.358077      1.708606
  H      -5.975517     -7.118668      2.010124
  H      -2.941114     -3.935833      0.265651
  H      -4.665164     -3.995522      0.672890
  H      -2.447748     -5.960208      1.466169
  H      -3.899857     -6.329017      0.494255
  C      -3.362120     -2.095336      2.218926
  C      -2.210512     -1.393109      2.628325
  C      -2.185906     -0.002538      2.664420
  C      -3.325474      0.693234      2.284820
  F      -3.300798      2.047987      2.326627
  C      -4.492623      0.039339      1.865734
  C      -5.741229      0.748044      1.541383
  O      -6.768234      0.194482      1.166856
  C      -5.853472      2.281364      1.642736
  O      -5.800843      2.997339      0.672889
  C      -6.143617      2.809357      3.072057
  O      -5.834914      2.212976      4.060261
  Cl     -6.919977      4.405728      3.086400
  C      -4.485049     -1.365609      1.821039
  C      -6.558211     -3.916303      5.228273
  C      -7.072080     -4.504587      6.403476
  C      -7.820826     -3.758264      7.310830
  C      -8.065511     -2.418081      7.040333
  F      -8.815302     -1.702550      7.912745
  C      -7.593442     -1.803797      5.871546
  C      -7.897256     -0.412930      5.513349
  O      -7.814841      0.046027      4.378679
  C      -8.176166      0.662011      6.569884
  O      -7.408490      0.913981      7.466209
  C      -9.440389      1.502037      6.271260
  O     -10.437964      1.033874      5.809387
  Cl     -9.300142      3.193850      6.800598
  C      -6.847513     -2.578463      4.968204
  C      -3.163575     -6.052072      6.221655
  C      -2.948863     -5.035472      7.185448
  C      -3.458399     -5.130774      8.474637
  C      -4.183167     -6.262558      8.822793
  F      -4.693968     -6.348068     10.079700
  C      -4.390330     -7.316727      7.923729
  C      -5.193990     -8.504762      8.251193
  O      -5.358613     -9.452739      7.488866
  C      -5.909948     -8.614732      9.611962
  O      -5.570154     -9.391058     10.471703
  C      -7.183961     -7.739717      9.702697
  O      -7.561752     -7.047388      8.798778
  Cl     -8.021835     -7.863899     11.256777
  C      -3.857105     -7.204323      6.628237
  H      -1.336979     -1.965452      2.943554
  H      -1.301576      0.546267      2.987697
  H      -5.405803     -1.867089      1.517970
  H      -6.861223     -5.551663      6.623350
  H      -8.215937     -4.208586      8.221691
  H      -6.480376     -2.104114      4.057237
  H      -2.358357     -4.165497      6.901548
  H      -3.293848     -4.342943      9.209459
  H      -4.053278     -8.028709      5.943518
  N      -3.629337     -2.756414      5.170220
  N      -3.561682     -1.802047      5.790505
