77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.885184279651
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
  N      -1.984818     -3.887471      4.917396
  N      -0.873473     -3.311875      4.950638
  H      -0.100278     -3.986216      4.940153
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.918279756093
  N      -3.614691     -3.668650      3.258717
  C      -3.324613     -4.347650      1.992123
  C      -2.671365     -5.694396      2.302233
  N      -3.449668     -6.400537      3.361434
  C      -4.695636     -6.986342      2.773248
  C      -5.871745     -6.592836      3.671165
  N      -5.686388     -5.213381      4.101715
  Mo     -3.847734     -4.831503      4.865875
  N      -2.436450     -5.998376      5.779604
  C      -1.660652     -6.925312      4.963600
  C      -2.637289     -7.500476      3.951455
  H      -1.260800     -7.742038      5.579007
  H      -0.812933     -6.422187      4.468951
  H      -3.321252     -8.168182      4.491015
  H      -2.123145     -8.069381      3.162643
  H      -6.832122     -6.742455      3.162353
  H      -5.871000     -7.222643      4.578102
  H      -4.843134     -6.591464      1.762247
  H      -4.610147     -8.077167      2.690989
  H      -2.636181     -3.744756      1.382383
  H      -4.253747     -4.488230      1.413966
  H      -1.654498     -5.520857      2.671706
  H      -2.610993     -6.312437      1.393794
  C      -4.053207     -2.382669      3.200926
  C      -4.417174     -1.768918      1.976594
  C      -4.861500     -0.466655      1.899280
  Cl     -5.334826      0.117046      0.346212
  C      -4.894920      0.376099      3.056637
  C      -5.387916      1.766339      3.025790
  O      -6.188475      2.208016      2.207750
  C      -4.868089      2.762073      4.067173
  O      -3.928155      2.597324      4.811855
  C      -4.506261     -0.199996      4.259736
  C      -4.148041     -1.555077      4.391442
  C      -3.991361     -2.040379      5.719170
  O      -3.954929     -3.276412      6.020093
  C      -6.605314     -4.238113      3.835508
  C      -6.800161     -3.233706      4.819747
  C      -7.618715     -2.140891      4.632130
  Cl     -7.688897     -0.984596      5.914247
  C      -8.348708     -1.973257      3.418256
  C      -9.172419     -0.795722      3.110936
  O      -9.571612      0.035214      3.925445
  C      -9.518786     -0.507187      1.649934
  O      -8.844694     -0.813889      0.691485
  C      -8.253570     -3.026657      2.500031
  C      -7.415924     -4.129418      2.657917
  C      -7.360779     -5.037819      1.496842
  O      -8.270393     -5.205611      0.702288
  C      -2.054872     -5.821721      7.064296
  C      -0.731536     -6.053137      7.505085
  C      -0.347259     -5.813868      8.811624
  Cl      1.322048     -6.034300      9.182798
  C      -1.278980     -5.353781      9.797422
  C      -0.896024     -5.053891     11.190426
  O       0.073632     -5.527064     11.778964
  C      -1.734432     -4.034675     11.961979
  O      -2.527898     -3.255172     11.479737
  C      -2.607583     -5.220620      9.388034
  C      -3.015024     -5.441800      8.069483
  C      -4.402220     -5.505561      7.743358
  O      -4.842563     -5.592638      6.572777
  H      -4.390397     -2.326449      1.046868
  H      -5.437018      3.719525      4.024562
  H      -4.544044      0.391233      5.168492
  H      -3.969791     -1.317908      6.543592
  H      -6.338377     -3.367828      5.792791
  H     -10.425644      0.134734      1.559779
  H      -8.835412     -2.990743      1.584162
  H      -6.383212     -5.541098      1.327084
  H       0.033400     -6.371940      6.803589
  H      -1.480443     -4.036381     13.046872
  H      -3.367096     -4.953186     10.116548
  H      -5.121546     -5.550857      8.577465
  N      -1.946346     -3.873278      4.865063
  N      -0.869358     -3.302903      4.860304
  H      -0.065546     -3.969105      4.839349
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.938034711825
  N      -3.601148     -3.644622      3.210895
  C      -3.312641     -4.354258      1.959026
  C      -2.648440     -5.695213      2.287132
  N      -3.416571     -6.406452      3.359408
  C      -4.676081     -6.994434      2.781132
  C      -5.852647     -6.593954      3.676016
  N      -5.688028     -5.202645      4.099729
  Mo     -3.818207     -4.805099      4.859137
  N      -2.409745     -6.024254      5.811633
  C      -1.640764     -6.948391      4.982580
  C      -2.607394     -7.507844      3.960567
  H      -1.249997     -7.775290      5.593466
  H      -0.782642     -6.447112      4.495803
  H      -3.301472     -8.170977      4.494509
  H      -2.096135     -8.081535      3.170058
  H      -6.814338     -6.757063      3.168942
  H      -5.846497     -7.223198      4.585300
  H      -4.823710     -6.605579      1.766230
  H      -4.583914     -8.087575      2.706742
  H      -2.628776     -3.758594      1.332407
  H      -4.242119     -4.515107      1.382244
  H      -1.629836     -5.517288      2.653458
  H      -2.591141     -6.324866      1.383448
  C      -4.047780     -2.361157      3.160156
  C      -4.413356     -1.754879      1.928929
  C      -4.870669     -0.454530      1.847160
  Cl     -5.341644      0.111849      0.281901
  C      -4.919549      0.391968      3.001325
  C      -5.428811      1.776444      2.979721
  O      -6.231359      2.224950      2.161782
  C      -4.930139      2.791003      4.025167
  O      -3.984796      2.653088      4.777031
  C      -4.530301     -0.181948      4.210913
  C      -4.158978     -1.532845      4.355661
  C      -4.023896     -1.992850      5.702767
  O      -3.973968     -3.225146      6.048507
  C      -6.617894     -4.229296      3.837958
  C      -6.805400     -3.222073      4.826171
  C      -7.627003     -2.129814      4.641522
  Cl     -7.682850     -0.974176      5.933002
  C      -8.365893     -1.956552      3.430680
  C      -9.190960     -0.780569      3.120872
  O      -9.595925      0.059457      3.930043
  C      -9.541536     -0.470402      1.657495
  O      -8.864262     -0.758933      0.688359
  C      -8.274763     -3.010680      2.509386
  C      -7.436413     -4.119580      2.660830
  C      -7.376776     -5.026122      1.501213
  O      -8.285625     -5.194347      0.693177
  C      -2.036239     -5.861573      7.096431
  C      -0.718974     -6.130700      7.551878
  C      -0.343440     -5.896763      8.863275
  Cl      1.322113     -6.161311      9.242789
  C      -1.267382     -5.408063      9.847765
  C      -0.897429     -5.123238     11.246395
  O       0.055408     -5.621417     11.852717
  C      -1.708481     -4.083140     12.030595
  O      -2.478811     -3.265744     11.559157
  C      -2.589002     -5.236402      9.422569
  C      -2.993642     -5.448472      8.099313
  C      -4.376724     -5.478827      7.773231
  O      -4.828695     -5.566072      6.596656
  H      -4.375894     -2.323005      1.001005
  H      -5.521228      3.739557      3.971870
  H      -4.583082      0.415311      5.120204
  H      -4.027249     -1.250494      6.511660
  H      -6.326679     -3.353778      5.794447
  H     -10.448612      0.180244      1.580881
  H      -8.859588     -2.970048      1.591521
  H      -6.395061     -5.530309      1.334878
  H       0.045196     -6.471425      6.853862
  H      -1.451267     -4.106567     13.118853
  H      -3.350065     -4.947148     10.147094
  H      -5.100294     -5.507653      8.607385
  N      -1.931502     -3.866120      4.825036
  N      -0.901605     -3.272130      4.787652
  H      -0.043531     -3.886748      4.757540
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.951518685198
  N      -3.593734     -3.618461      3.170861
  C      -3.316495     -4.353850      1.934714
  C      -2.644222     -5.688165      2.276609
  N      -3.398842     -6.399468      3.361640
  C      -4.673043     -6.979969      2.796641
  C      -5.842850     -6.574477      3.693677
  N      -5.695503     -5.179299      4.112483
  Mo     -3.791718     -4.770636      4.859181
  N      -2.389287     -6.045482      5.840737
  C      -1.630635     -6.961443      4.993846
  C      -2.594799     -7.503653      3.965037
  H      -1.244745     -7.799570      5.594047
  H      -0.766504     -6.460215      4.513929
  H      -3.297842     -8.162812      4.492778
  H      -2.090386     -8.079705      3.170787
  H      -6.806157     -6.747174      3.190472
  H      -5.830934     -7.204059      4.603526
  H      -4.822876     -6.592425      1.780688
  H      -4.579672     -8.073735      2.725469
  H      -2.638498     -3.769475      1.289099
  H      -4.248586     -4.529380      1.365036
  H      -1.622365     -5.509759      2.635320
  H      -2.595428     -6.327239      1.377960
  C      -4.038392     -2.338735      3.130140
  C      -4.408630     -1.735580      1.896314
  C      -4.869842     -0.436380      1.814787
  Cl     -5.343543      0.124437      0.245418
  C      -4.920468      0.411065      2.966227
  C      -5.436320      1.789611      2.957841
  O      -6.243494      2.248279      2.147812
  C      -4.944506      2.809138      4.007588
  O      -3.992741      2.685318      4.755664
  C      -4.526168     -0.162250      4.176457
  C      -4.151350     -1.511482      4.329690
  C      -4.034062     -1.946267      5.689984
  O      -3.980848     -3.166302      6.086365
  C      -6.635255     -4.217846      3.851717
  C      -6.838846     -3.210295      4.839165
  C      -7.672652     -2.129968      4.644210
  Cl     -7.749831     -0.971124      5.937757
  C      -8.403196     -1.962975      3.426691
  C      -9.233479     -0.800225      3.098426
  O      -9.664426      0.045669      3.890794
  C      -9.564970     -0.486898      1.627832
  O      -8.866882     -0.758995      0.667137
  C      -8.293614     -3.017026      2.506984
  C      -7.447706     -4.120593      2.668071
  C      -7.355565     -5.030093      1.517677
  O      -8.244949     -5.212750      0.686565
  C      -2.019816     -5.897529      7.121375
  C      -0.710616     -6.208323      7.587288
  C      -0.338401     -5.980761      8.899360
  Cl      1.321606     -6.290121      9.285010
  C      -1.249071     -5.461604      9.881985
  C      -0.889782     -5.192472     11.282353
  O       0.039973     -5.717439     11.904933
  C      -1.675685     -4.134569     12.073431
  O      -2.418803     -3.287396     11.608898
  C      -2.561165     -5.245812      9.446574
  C      -2.967998     -5.447885      8.121562
  C      -4.349547     -5.440087      7.800792
  O      -4.817800     -5.526419      6.627282
  H      -4.370310     -2.311904      0.972242
  H      -5.548659      3.750486      3.953495
  H      -4.583201      0.439987      5.083931
  H      -4.052518     -1.181769      6.478489
  H      -6.357893     -3.333548      5.807205
  H     -10.474567      0.160637      1.543612
  H      -8.867228     -2.979069      1.580300
  H      -6.365872     -5.530485      1.377687
  H       0.046793     -6.572257      6.892401
  H      -1.421134     -4.177863     13.162593
  H      -3.317016     -4.930966     10.168161
  H      -5.072506     -5.446597      8.636705
  N      -1.938370     -3.867479      4.800996
  N      -0.943972     -3.228729      4.728102
  H      -0.034135     -3.767835      4.679641
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.962342019161
  N      -3.586874     -3.607076      3.128571
  C      -3.313081     -4.362480      1.909304
  C      -2.628088     -5.686079      2.266864
  N      -3.370858     -6.396519      3.361284
  C      -4.654407     -6.972884      2.806868
  C      -5.822887     -6.564208      3.701175
  N      -5.695109     -5.167013      4.112493
  Mo     -3.764583     -4.745304      4.852606
  N      -2.369120     -6.066244      5.864266
  C      -1.612313     -6.968245      5.004711
  C      -2.570505     -7.499539      3.967548
  H      -1.227663     -7.815034      5.594232
  H      -0.745069     -6.462063      4.534946
  H      -3.280049     -8.158343      4.487154
  H      -2.067108     -8.075493      3.172482
  H      -6.784764     -6.750531      3.198878
  H      -5.807632     -7.191089      4.613492
  H      -4.802680     -6.589286      1.789404
  H      -4.558549     -8.066689      2.740355
  H      -2.641838     -3.787322      1.247492
  H      -4.245003     -4.554879      1.344614
  H      -1.605187     -5.502031      2.620324
  H      -2.581269     -6.333655      1.373883
  C      -4.034829     -2.334560      3.095826
  C      -4.408233     -1.734077      1.859321
  C      -4.876465     -0.439040      1.777029
  Cl     -5.347879      0.120601      0.205662
  C      -4.935763      0.408617      2.926139
  C      -5.462381      1.779289      2.924763
  O      -6.270049      2.240533      2.116234
  C      -4.982139      2.803002      3.978629
  O      -4.028467      2.693700      4.724913
  C      -4.539325     -0.162182      4.136803
  C      -4.155951     -1.508824      4.297599
  C      -4.052423     -1.918015      5.667209
  O      -3.993272     -3.118414      6.115421
  C      -6.638197     -4.213448      3.856133
  C      -6.828950     -3.203865      4.845215
  C      -7.662035     -2.123978      4.654860
  Cl     -7.725536     -0.960330      5.948468
  C      -8.403498     -1.954352      3.445491
  C      -9.231727     -0.794136      3.119636
  O      -9.660497      0.057072      3.907934
  C      -9.568755     -0.473224      1.650318
  O      -8.874248     -0.736099      0.685804
  C      -8.303599     -3.007012      2.523495
  C      -7.460506     -4.113378      2.677135
  C      -7.368757     -5.017410      1.526736
  O      -8.252717     -5.192148      0.688137
  C      -2.009051     -5.927958      7.142123
  C      -0.709943     -6.271886      7.623392
  C      -0.345911     -6.047214      8.935714
  Cl      1.305676     -6.391714      9.338511
  C      -1.248838     -5.501866      9.910235
  C      -0.903436     -5.245571     11.312492
  O       0.003908     -5.791385     11.949238
  C      -1.670113     -4.170953     12.103994
  O      -2.384439     -3.300527     11.641749
  C      -2.549408     -5.249967      9.460856
  C      -2.952144     -5.446276      8.133608
  C      -4.332131     -5.407447      7.812104
  O      -4.810749     -5.495931      6.644132
  H      -4.363924     -2.316469      0.939650
  H      -5.599640      3.735224      3.921810
  H      -4.604176      0.443907      5.041219
  H      -4.086497     -1.129252      6.431926
  H      -6.330687     -3.325057      5.804772
  H     -10.476098      0.178301      1.577248
  H      -8.880400     -2.962800      1.598851
  H      -6.380445     -5.518405      1.386983
  H       0.043709     -6.655495      6.935762
  H      -1.422280     -4.229821     13.193789
  H      -3.302434     -4.912931     10.175329
  H      -5.055619     -5.392032      8.647765
  N      -1.969264     -3.878052      4.791554
  N      -1.013748     -3.176588      4.689654
  H      -0.065635     -3.628682      4.625934
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.970036080737
  N      -3.588024     -3.598441      3.099561
  C      -3.322942     -4.366042      1.892457
  C      -2.623867     -5.677386      2.260632
  N      -3.353486     -6.383595      3.364163
  C      -4.645861     -6.951126      2.820507
  C      -5.809427     -6.542358      3.716412
  N      -5.696943     -5.147223      4.123059
  Mo     -3.740489     -4.716946      4.853051
  N      -2.355725     -6.082343      5.881720
  C      -1.598863     -6.965740      5.008604
  C      -2.555636     -7.487321      3.966119
  H      -1.210246     -7.821154      5.583004
  H      -0.732658     -6.450623      4.548104
  H      -3.268219     -8.148309      4.478441
  H      -2.053545     -8.060731      3.168928
  H      -6.769929     -6.740574      3.215440
  H      -5.790701     -7.167912      4.629921
  H      -4.795263     -6.567286      1.803600
  H      -4.552267     -8.044588      2.753659
  H      -2.660665     -3.799233      1.214597
  H      -4.256889     -4.571247      1.336336
  H      -1.599394     -5.486208      2.605352
  H      -2.579955     -6.331899      1.372873
  C      -4.031552     -2.330110      3.074429
  C      -4.409836     -1.729188      1.837426
  C      -4.875875     -0.435911      1.755582
  Cl     -5.351724      0.128386      0.188162
  C      -4.931272      0.413459      2.902556
  C      -5.461236      1.780025      2.903613
  O      -6.268180      2.241253      2.095378
  C      -4.982166      2.804138      3.957795
  O      -4.025320      2.701811      4.697659
  C      -4.529765     -0.155200      4.110886
  C      -4.147008     -1.502621      4.276399
  C      -4.047329     -1.890134      5.651299
  O      -3.989570     -3.068542      6.144624
  C      -6.645665     -4.207459      3.865439
  C      -6.844494     -3.194781      4.850325
  C      -7.685328     -2.123859      4.652836
  Cl     -7.764994     -0.951295      5.938657
  C      -8.424330     -1.963145      3.442968
  C      -9.256056     -0.810714      3.110788
  O      -9.692685      0.040844      3.893068
  C      -9.582810     -0.489269      1.639013
  O      -8.878912     -0.740472      0.680964
  C      -8.315449     -3.017199      2.524092
  C      -7.468193     -4.117586      2.685472
  C      -7.358022     -5.023623      1.539941
  O      -8.227068     -5.205531      0.690421
  C      -2.000897     -5.953503      7.157994
  C      -0.712539     -6.331193      7.648823
  C      -0.350401     -6.112099      8.960095
  Cl      1.290945     -6.492467      9.377106
  C      -1.241893     -5.542406      9.928530
  C      -0.901577     -5.303617     11.332306
  O      -0.013322     -5.872774     11.972331
  C      -1.647524     -4.215334     12.128107
  O      -2.334831     -3.324284     11.671441
  C      -2.531014     -5.252758      9.471266
  C      -2.933644     -5.441294      8.143118
  C      -4.313635     -5.369870      7.823606
  O      -4.803274     -5.457423      6.663963
  H      -4.369591     -2.317021      0.922326
  H      -5.605479      3.731294      3.900267
  H      -4.591395      0.455069      5.011539
  H      -4.083658     -1.077669      6.391732
  H      -6.341656     -3.307047      5.807509
  H     -10.491336      0.158769      1.564208
  H      -8.885827     -2.976390      1.596133
  H      -6.369174     -5.528125      1.420856
  H       0.033814     -6.733478      6.965790
  H      -1.404172     -4.291290     13.217011
  H      -3.277174     -4.893994     10.180961
  H      -5.033023     -5.330466      8.662033
  N      -2.014546     -3.886321      4.802982
  N      -1.099475     -3.121033      4.682961
  H      -0.132415     -3.498795      4.606927
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.974405227638
  N      -3.598613     -3.607148      3.076761
  C      -3.337188     -4.379493      1.875997
  C      -2.614047     -5.671463      2.254807
  N      -3.329298     -6.373107      3.367018
  C      -4.626677     -6.938874      2.833279
  C      -5.789796     -6.533122      3.730302
  N      -5.692887     -5.137867      4.130666
  Mo     -3.720057     -4.697995      4.853029
  N      -2.349032     -6.093027      5.890833
  C      -1.573309     -6.944442      5.007483
  C      -2.523442     -7.471936      3.961841
  H      -1.164902     -7.801610      5.565288
  H      -0.718404     -6.404358      4.556049
  H      -3.230035     -8.144155      4.467412
  H      -2.014135     -8.036569      3.163398
  H      -6.747697     -6.749038      3.231417
  H      -5.765484     -7.154526      4.646909
  H      -4.777884     -6.555718      1.817056
  H      -4.533778     -8.032052      2.764700
  H      -2.688440     -3.814080      1.184351
  H      -4.272176     -4.601920      1.328849
  H      -1.591133     -5.460429      2.592318
  H      -2.562897     -6.334639      1.374140
  C      -4.038943     -2.340147      3.051923
  C      -4.418893     -1.743436      1.811801
  C      -4.884286     -0.452348      1.722890
  Cl     -5.356735      0.108725      0.154974
  C      -4.941197      0.403569      2.865823
  C      -5.478530      1.767159      2.859210
  O      -6.280033      2.221065      2.042676
  C      -5.008321      2.794777      3.912938
  O      -4.050118      2.701456      4.650354
  C      -4.536866     -0.157490      4.075048
  C      -4.152368     -1.504441      4.249245
  C      -4.047977     -1.872062      5.628386
  O      -3.986181     -3.032615      6.152970
  C      -6.645702     -4.205907      3.875006
  C      -6.822941     -3.181546      4.852224
  C      -7.658713     -2.106963      4.657808
  Cl     -7.711093     -0.919589      5.930607
  C      -8.416242     -1.952910      3.459694
  C      -9.244636     -0.797479      3.130878
  O      -9.665029      0.061302      3.912675
  C      -9.583444     -0.484062      1.660536
  O      -8.889359     -0.741821      0.698602
  C      -8.325170     -3.013106      2.546136
  C      -7.483843     -4.117125      2.704529
  C      -7.385212     -5.021103      1.555630
  O      -8.249907     -5.179365      0.699531
  C      -2.000224     -5.970875      7.168603
  C      -0.721663     -6.373240      7.666692
  C      -0.361506     -6.161660      8.978657
  Cl      1.271303     -6.566202      9.405417
  C      -1.247684     -5.578230      9.942615
  C      -0.915203     -5.363109     11.352036
  O      -0.041029     -5.952559     11.990507
  C      -1.654140     -4.274065     12.155501
  O      -2.321948     -3.366993     11.705386
  C      -2.526335     -5.258547      9.477762
  C      -2.925661     -5.438091      8.147544
  C      -4.305069     -5.343523      7.826067
  O      -4.798944     -5.427920      6.670744
  H      -4.380733     -2.338516      0.902135
  H      -5.639484      3.715856      3.853143
  H      -4.595803      0.459338      4.970517
  H      -4.083085     -1.039933      6.347889
  H      -6.298000     -3.284204      5.798679
  H     -10.490289      0.166305      1.592057
  H      -8.901753     -2.970871      1.622522
  H      -6.400787     -5.530287      1.431560
  H       0.020861     -6.786027      6.986914
  H      -1.419944     -4.369644     13.244481
  H      -3.268618     -4.885424     10.183031
  H      -5.020993     -5.283485      8.666477
  N      -2.047664     -3.872564      4.832810
  N      -1.166572     -3.054733      4.720550
  H      -0.190530     -3.388298      4.641958
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.977481755831
  N      -3.617389     -3.613415      3.072248
  C      -3.364650     -4.382680      1.869388
  C      -2.620366     -5.658062      2.250716
  N      -3.320897     -6.355330      3.371640
  C      -4.623980     -6.920005      2.851483
  C      -5.781215     -6.520417      3.757785
  N      -5.694972     -5.124769      4.152248
  Mo     -3.708829     -4.678867      4.861323
  N      -2.354840     -6.097115      5.893282
  C      -1.556972     -6.911413      4.997194
  C      -2.502056     -7.450132      3.951946
  H      -1.119214     -7.766580      5.535132
  H      -0.721636     -6.338576      4.551188
  H      -3.196779     -8.137642      4.452859
  H      -1.985407     -8.001456      3.149278
  H      -6.739026     -6.753088      3.266189
  H      -5.745573     -7.137711      4.676969
  H      -4.784731     -6.534770      1.838022
  H      -4.533075     -8.012839      2.777142
  H      -2.730287     -3.814561      1.167351
  H      -4.302794     -4.615759      1.333193
  H      -1.599494     -5.426192      2.580672
  H      -2.561350     -6.328322      1.376107
  C      -4.043020     -2.341053      3.044409
  C      -4.423163     -1.747585      1.801994
  C      -4.877839     -0.454212      1.704623
  Cl     -5.348563      0.102488      0.136224
  C      -4.925397      0.410378      2.842569
  C      -5.461792      1.775324      2.826128
  O      -6.256460      2.224118      2.001190
  C      -4.994794      2.804594      3.878026
  O      -4.032080      2.716293      4.609586
  C      -4.518925     -0.144655      4.052469
  C      -4.143431     -1.493648      4.234411
  C      -4.031086     -1.848918      5.615481
  O      -3.973150     -3.000670      6.154319
  C      -6.653944     -4.203554      3.890363
  C      -6.832598     -3.166810      4.854348
  C      -7.672812     -2.097677      4.650064
  Cl     -7.727030     -0.894227      5.905982
  C      -8.433655     -1.961454      3.452283
  C      -9.264735     -0.809929      3.113130
  O      -9.685279      0.053466      3.888547
  C      -9.595045     -0.509416      1.638862
  O      -8.890216     -0.766365      0.685043
  C      -8.340643     -3.031917      2.551212
  C      -7.497923     -4.132187      2.723035
  C      -7.393623     -5.043916      1.578920
  O      -8.255138     -5.212047      0.722976
  C      -2.004544     -5.981504      7.172656
  C      -0.731921     -6.402958      7.669235
  C      -0.367415     -6.202599      8.981703
  Cl      1.259897     -6.626029      9.406597
  C      -1.246755     -5.614024      9.948098
  C      -0.914920     -5.429256     11.363101
  O      -0.046851     -6.038746     11.989141
  C      -1.646861     -4.348382     12.184637
  O      -2.301697     -3.425287     11.749519
  C      -2.518355     -5.269035      9.483740
  C      -2.919416     -5.435494      8.152310
  C      -4.298373     -5.318163      7.833378
  O      -4.796543     -5.393847      6.680798
  H      -4.396693     -2.350111      0.897418
  H      -5.629444      3.722860      3.819161
  H      -4.567186      0.478824      4.943216
  H      -4.054897     -1.004902      6.321918
  H      -6.301217     -3.253305      5.798386
  H     -10.503898      0.136404      1.559725
  H      -8.914563     -3.000041      1.626081
  H      -6.422047     -5.582985      1.484602
  H       0.006134     -6.819594      6.987972
  H      -1.418707     -4.469062     13.272088
  H      -3.254656     -4.886716     10.189394
  H      -5.007943     -5.239684      8.677675
  N      -2.058444     -3.838960      4.867830
  N      -1.199287     -2.987664      4.773658
  H      -0.220070     -3.306995      4.694664
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.979823378835
  N      -3.631622     -3.621975      3.075695
  C      -3.384377     -4.383593      1.866288
  C      -2.623196     -5.647155      2.245526
  N      -3.310798     -6.342425      3.374454
  C      -4.619460     -6.910450      2.871368
  C      -5.770389     -6.516122      3.789011
  N      -5.693638     -5.117355      4.171641
  Mo     -3.696815     -4.667300      4.869714
  N      -2.364523     -6.104773      5.894219
  C      -1.543700     -6.883599      4.987732
  C      -2.478885     -7.433827      3.939893
  H      -1.076532     -7.734739      5.506594
  H      -0.729817     -6.276535      4.548641
  H      -3.160800     -8.137972      4.434757
  H      -1.952708     -7.969617      3.133054
  H      -6.728912     -6.768314      3.308683
  H      -5.719631     -7.125289      4.712994
  H      -4.793414     -6.526726      1.859890
  H      -4.528686     -8.003241      2.794140
  H      -2.763253     -3.808414      1.158859
  H      -4.324959     -4.623518      1.338649
  H      -1.605242     -5.395566      2.570462
  H      -2.554883     -6.322973      1.375885
  C      -4.046441     -2.343941      3.040629
  C      -4.429906     -1.758125      1.795089
  C      -4.881332     -0.464647      1.686285
  Cl     -5.350315      0.079604      0.114036
  C      -4.925009      0.410135      2.818066
  C      -5.466164      1.774628      2.790426
  O      -6.256936      2.214632      1.957631
  C      -5.009043      2.808768      3.840435
  O      -4.042146      2.729885      4.568106
  C      -4.514928     -0.135947      4.030057
  C      -4.140914     -1.484105      4.220781
  C      -4.016823     -1.829384      5.602949
  O      -3.958452     -2.977340      6.147469
  C      -6.656171     -4.202845      3.903224
  C      -6.817403     -3.146649      4.849546
  C      -7.653334     -2.075313      4.638764
  Cl     -7.681334     -0.849773      5.872416
  C      -8.430132     -1.956828      3.449012
  C      -9.259016     -0.804766      3.100985
  O      -9.668903      0.069971      3.868585
  C      -9.598861     -0.527552      1.625006
  O      -8.899954     -0.803164      0.671732
  C      -8.352782     -3.042305      2.565212
  C      -7.515453     -4.145665      2.745422
  C      -7.429486     -5.068232      1.606759
  O      -8.278494     -5.193609      0.731322
  C      -2.011340     -5.992515      7.175760
  C      -0.742517     -6.426286      7.670603
  C      -0.374090     -6.236459      8.984110
  Cl      1.249949     -6.672561      9.403198
  C      -1.249237     -5.646792      9.954054
  C      -0.919403     -5.488963     11.374444
  O      -0.057409     -6.116514     11.989976
  C      -1.649583     -4.420267     12.213561
  O      -2.293790     -3.482863     11.792726
  C      -2.515038     -5.282626      9.490371
  C      -2.916913     -5.436658      8.157471
  C      -4.293938     -5.295304      7.840309
  O      -4.792902     -5.361832      6.688172
  H      -4.412032     -2.368358      0.895635
  H      -5.654439      3.719777      3.786261
  H      -4.556487      0.494133      4.916337
  H      -4.030724     -0.978032      6.300953
  H      -6.270488     -3.216405      5.786143
  H     -10.512376      0.110854      1.538515
  H      -8.934487     -3.020817      1.644580
  H      -6.455909     -5.598641      1.496444
  H      -0.006105     -6.843200      6.988328
  H      -1.430032     -4.565304     13.299822
  H      -3.246690     -4.892608     10.196435
  H      -4.998251     -5.199427      8.687291
  N      -2.054238     -3.806254      4.900414
  N      -1.216511     -2.929004      4.825282
  H      -0.233593     -3.243557      4.752967
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.981696802754
  N      -3.641208     -3.620062      3.085827
  C      -3.399041     -4.371924      1.867067
  C      -2.626563     -5.630229      2.237723
  N      -3.302090     -6.327433      3.372990
  C      -4.616476     -6.900211      2.888441
  C      -5.759297     -6.511805      3.820746
  N      -5.692343     -5.108702      4.189517
  Mo     -3.684515     -4.656644      4.878099
  N      -2.376325     -6.114171      5.894228
  C      -1.535572     -6.860662      4.977828
  C      -2.458073     -7.417294      3.923422
  H      -1.041978     -7.707619      5.478486
  H      -0.742723     -6.220779      4.547153
  H      -3.128210     -8.137905      4.410274
  H      -1.922345     -7.935596      3.111526
  H      -6.719773     -6.782818      3.354386
  H      -5.689662     -7.112109      4.749280
  H      -4.806907     -6.517933      1.879473
  H      -4.523931     -7.992918      2.808275
  H      -2.789584     -3.786926      1.158158
  H      -4.342659     -4.614605      1.346806
  H      -1.611085     -5.363995      2.559604
  H      -2.551443     -6.308670      1.370696
  C      -4.044685     -2.335769      3.043657
  C      -4.431829     -1.756453      1.795767
  C      -4.880943     -0.462560      1.677509
  Cl     -5.348830      0.068937      0.100808
  C      -4.921656      0.420412      2.803988
  C      -5.466868      1.784196      2.768934
  O      -6.254219      2.218974      1.930082
  C      -5.021394      2.821872      3.819710
  O      -4.047752      2.754388      4.540629
  C      -4.509033     -0.119406      4.017861
  C      -4.135647     -1.466311      4.214713
  C      -4.002538     -1.806489      5.596919
  O      -3.945497     -2.954969      6.140326
  C      -6.655821     -4.199932      3.909386
  C      -6.795253     -3.118434      4.831191
  C      -7.625917     -2.045339      4.608882
  Cl     -7.622275     -0.790823      5.812669
  C      -8.421746     -1.950681      3.428764
  C      -9.248716     -0.800600      3.065961
  O      -9.647089      0.090903      3.820168
  C      -9.603664     -0.555460      1.588170
  O      -8.908540     -0.847184      0.636286
  C      -8.365625     -3.057480      2.571067
  C      -7.534017     -4.164103      2.763851
  C      -7.475972     -5.109412      1.641097
  O      -8.351934     -5.262212      0.795956
  C      -2.018317     -6.004468      7.177096
  C      -0.751021     -6.446166      7.668989
  C      -0.378898     -6.268293      8.983863
  Cl      1.243606     -6.714614      9.394045
  C      -1.250555     -5.681870      9.959625
  C      -0.922882     -5.549164     11.384268
  O      -0.064702     -6.191650     11.989537
  C      -1.650685     -4.493471     12.241825
  O      -2.285677     -3.542390     11.836517
  C      -2.511905     -5.302315      9.497886
  C      -2.915047     -5.442489      8.163484
  C      -4.288814     -5.272991      7.849146
  O      -4.787784     -5.327119      6.696494
  H      -4.422185     -2.372238      0.899840
  H      -5.677073      3.726037      3.770606
  H      -4.546010      0.515018      4.901578
  H      -4.008111     -0.952828      6.292175
  H      -6.232473     -3.167993      5.760062
  H     -10.516669      0.083045      1.494258
  H      -8.960854     -3.053670      1.658530
  H      -6.533422     -5.696499      1.557075
  H      -0.014740     -6.860679      6.985192
  H      -1.440604     -4.663498     13.326572
  H      -3.239357     -4.906511     10.205494
  H      -4.988554     -5.161001      8.698066
  N      -2.045866     -3.780878      4.925579
  N      -1.232890     -2.880744      4.862530
  H      -0.243796     -3.186144      4.803560
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.983473610685
  N      -3.651454     -3.611383      3.099340
  C      -3.421176     -4.358439      1.873187
  C      -2.641532     -5.614294      2.231625
  N      -3.303500     -6.312314      3.373239
  C      -4.622924     -6.887800      2.907113
  C      -5.752507     -6.506039      3.857884
  N      -5.696569     -5.099117      4.212341
  Mo     -3.675609     -4.645402      4.889968
  N      -2.391153     -6.123652      5.898842
  C      -1.536386     -6.843579      4.973059
  C      -2.448546     -7.401458      3.910677
  H      -1.021450     -7.686564      5.458380
  H      -0.761727     -6.176697      4.549809
  H      -3.109433     -8.135863      4.389302
  H      -1.905522     -7.903226      3.093569
  H      -6.716794     -6.794381      3.410189
  H      -5.658524     -7.097416      4.789699
  H      -4.831614     -6.504138      1.901898
  H      -4.528453     -7.980012      2.822671
  H      -2.823115     -3.766797      1.160860
  H      -4.370844     -4.602151      1.364398
  H      -1.626271     -5.339660      2.547966
  H      -2.566889     -6.294593      1.366398
  C      -4.036458     -2.319978      3.048264
  C      -4.425725     -1.746220      1.798134
  C      -4.863768     -0.448902      1.671207
  Cl     -5.337010      0.071143      0.092098
  C      -4.891674      0.443338      2.790339
  C      -5.430578      1.809119      2.748429
  O      -6.211463      2.245084      1.903860
  C      -4.986779      2.848837      3.797410
  O      -4.005774      2.787927      4.509379
  C      -4.477970     -0.091792      4.006018
  C      -4.115414     -1.439920      4.209441
  C      -3.980476     -1.776455      5.591284
  O      -3.934764     -2.925984      6.133048
  C      -6.662750     -4.200785      3.914859
  C      -6.814909     -3.109451      4.824241
  C      -7.656982     -2.047996      4.591235
  Cl     -7.671547     -0.783103      5.784189
  C      -8.450241     -1.972880      3.407965
  C      -9.286765     -0.834186      3.032022
  O      -9.698097      0.058849      3.777592
  C      -9.626325     -0.598160      1.549218
  O      -8.911690     -0.880685      0.608798
  C      -8.383316     -3.088840      2.564226
  C      -7.544957     -4.188998      2.770930
  C      -7.487321     -5.147554      1.659314
  O      -8.355359     -5.293656      0.803946
  C      -2.024945     -6.015134      7.180685
  C      -0.757337     -6.462999      7.666424
  C      -0.379246     -6.296821      8.981527
  Cl      1.242584     -6.753565      9.381104
  C      -1.244489     -5.714299      9.964925
  C      -0.914930     -5.603443     11.390994
  O      -0.057400     -6.257724     11.984447
  C      -1.636103     -4.558583     12.267047
  O      -2.259893     -3.593318     11.878031
  C      -2.502862     -5.320455      9.508400
  C      -2.910790     -5.447303      8.173855
  C      -4.281003     -5.245386      7.865464
  O      -4.782807     -5.284508      6.713761
  H      -4.431018     -2.367860      0.906389
  H      -5.648725      3.748688      3.755697
  H      -4.505612      0.547789      4.886445
  H      -3.976057     -0.922497      6.285903
  H      -6.257647     -3.145748      5.756589
  H     -10.548742      0.023860      1.438680
  H      -8.978808     -3.102246      1.651856
  H      -6.547780     -5.739981      1.581833
  H      -0.023021     -6.875737      6.979528
  H      -1.429778     -4.749906     13.348932
  H      -3.224077     -4.918955     10.219392
  H      -4.974927     -5.116267      8.716646
  N      -2.041307     -3.769327      4.942139
  N      -1.251934     -2.847908      4.879377
  H      -0.255788     -3.134669      4.842325
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.985370268967
  N      -3.662820     -3.595398      3.118387
  C      -3.443880     -4.339574      1.885703
  C      -2.656250     -5.593151      2.227219
  N      -3.303220     -6.296802      3.372505
  C      -4.626098     -6.875564      2.922436
  C      -5.743416     -6.501829      3.891444
  N      -5.698233     -5.092036      4.235230
  Mo     -3.666011     -4.638312      4.904991
  N      -2.402010     -6.134003      5.906525
  C      -1.535919     -6.831710      4.972414
  C      -2.437091     -7.385317      3.898683
  H      -1.005652     -7.671720      5.445724
  H      -0.775379     -6.142690      4.557723
  H      -3.091298     -8.132576      4.366494
  H      -1.886616     -7.869446      3.076340
  H      -6.712141     -6.802864      3.461607
  H      -5.624993     -7.086281      4.824313
  H      -4.851441     -6.488096      1.921840
  H      -4.528000     -7.966943      2.831924
  H      -2.858598     -3.739756      1.170414
  H      -4.399914     -4.586834      1.390050
  H      -1.640325     -5.313134      2.537723
  H      -2.585213     -6.272056      1.361095
  C      -4.038245     -2.300191      3.056927
  C      -4.430839     -1.733823      1.804322
  C      -4.865089     -0.435187      1.669867
  Cl     -5.341538      0.072125      0.086831
  C      -4.888152      0.464864      2.781672
  C      -5.424046      1.830581      2.734390
  O      -6.198109      2.268717      1.883956
  C      -4.986803      2.872461      3.783963
  O      -3.999452      2.820774      4.488267
  C      -4.473768     -0.064689      4.000188
  C      -4.113643     -1.411613      4.208756
  C      -3.975545     -1.746786      5.588855
  O      -3.931600     -2.899128      6.123500
  C      -6.663404     -4.200423      3.920755
  C      -6.800439     -3.083634      4.802968
  C      -7.638351     -2.023695      4.551886
  Cl     -7.634362     -0.728698      5.713352
  C      -8.442951     -1.974113      3.374697
  C      -9.277841     -0.842601      2.976949
  O      -9.683782      0.069525      3.702661
  C      -9.629339     -0.642713      1.491586
  O      -8.918922     -0.946494      0.554401
  C      -8.390410     -3.111348      2.560194
  C      -7.558493     -4.214121      2.785918
  C      -7.529417     -5.203805      1.701670
  O      -8.400882     -5.341726      0.847231
  C      -2.027810     -6.028677      7.187044
  C      -0.758611     -6.479817      7.665505
  C      -0.375626     -6.327420      8.981250
  Cl      1.247262     -6.791318      9.369035
  C      -1.235612     -5.753462      9.973677
  C      -0.905593     -5.662307     11.400344
  O      -0.048177     -6.325670     11.984563
  C      -1.624930     -4.631364     12.293694
  O      -2.241711     -3.655439     11.920165
  C      -2.492209     -5.347857      9.522845
  C      -2.904608     -5.459846      8.188220
  C      -4.270750     -5.226902      7.885870
  O      -4.774041     -5.247233      6.734261
  H      -4.445134     -2.359188      0.915438
  H      -5.656153      3.767019      3.747636
  H      -4.497739      0.579059      4.878008
  H      -3.968005     -0.896957      6.288225
  H      -6.234184     -3.099370      5.730368
  H     -10.555259     -0.028051      1.369832
  H      -8.996536     -3.145834      1.655011
  H      -6.603736     -5.817977      1.628165
  H      -0.025283     -6.887878      6.974547
  H      -1.424408     -4.843422     13.372832
  H      -3.208440     -4.944696     10.238356
  H      -4.961269     -5.086278      8.737880
  N      -2.031560     -3.766757      4.953023
  N      -1.264329     -2.826161      4.882953
  H      -0.260154     -3.084896      4.862954
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.987313695443
  N      -3.672343     -3.576681      3.133554
  C      -3.460753     -4.323538      1.898399
  C      -2.664337     -5.573030      2.224047
  N      -3.297712     -6.284957      3.369870
  C      -4.619830     -6.869591      2.930613
  C      -5.727250     -6.505555      3.914639
  N      -5.695772     -5.093224      4.249759
  Mo     -3.655883     -4.636719      4.918066
  N      -2.408906     -6.142760      5.916654
  C      -1.533437     -6.826344      4.978496
  C      -2.422193     -7.371777      3.890906
  H      -0.997033     -7.664992      5.446239
  H      -0.779881     -6.123340      4.573257
  H      -3.074458     -8.128887      4.345560
  H      -1.862945     -7.840046      3.065821
  H      -6.699956     -6.818410      3.503023
  H      -5.583539     -7.083098      4.847572
  H      -4.858080     -6.477949      1.934535
  H      -4.515067     -7.959745      2.834399
  H      -2.886930     -3.716937      1.180387
  H      -4.421475     -4.577772      1.415105
  H      -1.647353     -5.290209      2.529479
  H      -2.598051     -6.248487      1.355274
  C      -4.040376     -2.279951      3.055546
  C      -4.431055     -1.723585      1.798023
  C      -4.860157     -0.423320      1.653678
  Cl     -5.337024      0.068688      0.064853
  C      -4.881613      0.486550      2.755519
  C      -5.410558      1.852792      2.699331
  O      -6.173332      2.295434      1.840170
  C      -4.980302      2.897485      3.749145
  O      -3.991478      2.852379      4.451926
  C      -4.472068     -0.035485      3.979972
  C      -4.115848     -1.380946      4.196207
  C      -3.982404     -1.716477      5.574072
  O      -3.939971     -2.872820      6.097331
  C      -6.661345     -4.207918      3.922109
  C      -6.790041     -3.080309      4.793914
  C      -7.628198     -2.022443      4.540300
  Cl     -7.618670     -0.718119      5.693039
  C      -8.440453     -1.981452      3.368310
  C      -9.277337     -0.855336      2.964509
  O      -9.681053      0.064568      3.682366
  C      -9.634533     -0.666462      1.479087
  O      -8.922302     -0.969927      0.543173
  C      -8.395805     -3.126070      2.565354
  C      -7.567315     -4.232401      2.793537
  C      -7.566381     -5.234199      1.721411
  O      -8.449201     -5.360642      0.875739
  C      -2.030142     -6.040786      7.196628
  C      -0.759570     -6.491984      7.670658
  C      -0.375825     -6.352007      8.987806
  Cl      1.248236     -6.819796      9.369110
  C      -1.233582     -5.788290      9.986882
  C      -0.906404     -5.711604     11.413750
  O      -0.048402     -6.379461     11.993175
  C      -1.627047     -4.692589     12.318740
  O      -2.236356     -3.707949     11.955935
  C      -2.488847     -5.374516      9.538703
  C      -2.902307     -5.473223      8.203477
  C      -4.263762     -5.212906      7.903627
  O      -4.764327     -5.213633      6.750435
  H      -4.451988     -2.352801      0.912376
  H      -5.655174      3.787804      3.714666
  H      -4.495960      0.613738      4.853923
  H      -3.980078     -0.874733      6.282993
  H      -6.218084     -3.089445      5.717767
  H     -10.562990     -0.056613      1.353940
  H      -9.010191     -3.168859      1.665775
  H      -6.658042     -5.871000      1.640987
  H      -0.025105     -6.894094      6.977388
  H      -1.431633     -4.919060     13.395768
  H      -3.202842     -4.972399     10.257214
  H      -4.955922     -5.065836      8.752885
  N      -2.016935     -3.770282      4.954701
  N      -1.270923     -2.812097      4.869695
  H      -0.258344     -3.032097      4.864972
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.989092676267
  N      -3.688453     -3.552529      3.152589
  C      -3.485876     -4.302370      1.916235
  C      -2.680833     -5.547250      2.227068
  N      -3.302229     -6.267230      3.372688
  C      -4.625010     -6.854507      2.943072
  C      -5.719196     -6.501072      3.942923
  N      -5.694959     -5.088550      4.274070
  Mo     -3.647105     -4.630288      4.939370
  N      -2.413026     -6.149798      5.928157
  C      -1.535757     -6.821975      4.982422
  C      -2.420348     -7.354933      3.885134
  H      -0.998242     -7.664346      5.441332
  H      -0.784197     -6.111633      4.586448
  H      -3.072400     -8.119827      4.326869
  H      -1.856707     -7.809591      3.055691
  H      -6.696719     -6.821313      3.548602
  H      -5.553062     -7.075601      4.873835
  H      -4.876125     -6.455759      1.953361
  H      -4.516741     -7.943393      2.837838
  H      -2.922893     -3.692387      1.192947
  H      -4.450975     -4.562348      1.445166
  H      -1.661466     -5.264553      2.524908
  H      -2.621969     -6.217487      1.353600
  C      -4.052001     -2.256620      3.059575
  C      -4.440111     -1.708531      1.797505
  C      -4.862472     -0.406568      1.644628
  Cl     -5.335674      0.075376      0.051100
  C      -4.883121      0.512316      2.737957
  C      -5.403087      1.880482      2.671527
  O      -6.152057      2.327616      1.802178
  C      -4.979318      2.926729      3.722450
  O      -3.987326      2.889218      4.421067
  C      -4.480753     -0.003582      3.968105
  C      -4.127593     -1.348016      4.190328
  C      -3.998610     -1.685623      5.565264
  O      -3.954219     -2.844579      6.078326
  C      -6.658476     -4.208858      3.930220
  C      -6.782845     -3.065045      4.782715
  C      -7.618104     -2.010019      4.512577
  Cl     -7.609476     -0.687493      5.645460
  C      -8.430493     -1.985717      3.340266
  C      -9.266341     -0.866997      2.917291
  O      -9.668876      0.067001      3.617621
  C      -9.628368     -0.705640      1.429933
  O      -8.918151     -1.025012      0.497877
  C      -8.390008     -3.144031      2.557763
  C      -7.567591     -4.251593      2.804092
  C      -7.585259     -5.278180      1.756186
  O      -8.470445     -5.404743      0.912581
  C      -2.027241     -6.055845      7.207060
  C      -0.755732     -6.512338      7.672708
  C      -0.368076     -6.387318      8.990186
  Cl      1.255794     -6.864362      9.362714
  C      -1.220036     -5.832257      9.998043
  C      -0.890732     -5.772741     11.424517
  O      -0.032053     -6.447787     11.994946
  C      -1.606596     -4.762997     12.343270
  O      -2.209089     -3.769354     11.993936
  C      -2.473937     -5.406166      9.556571
  C      -2.891468     -5.488944      8.221707
  C      -4.248542     -5.200605      7.927949
  O      -4.750779     -5.179354      6.775521
  H      -4.466189     -2.341008      0.914761
  H      -5.654310      3.816497      3.682294
  H      -4.505300      0.650190      4.838472
  H      -4.006086     -0.851040      6.282721
  H      -6.210218     -3.061627      5.705812
  H     -10.561451     -0.105166      1.295621
  H      -9.006497     -3.201430      1.660407
  H      -6.694648     -5.940789      1.690581
  H      -0.023756     -6.909350      6.974291
  H      -1.417699     -5.008213     13.417161
  H      -3.182892     -5.005095     10.280376
  H      -4.938913     -5.048558      8.777434
  N      -2.006640     -3.767824      4.965002
  N      -1.282427     -2.793098      4.866159
  H      -0.263971     -2.977106      4.879116
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.990763737935
  N      -3.700926     -3.529387      3.163626
  C      -3.502225     -4.285708      1.930031
  C      -2.690315     -5.525635      2.234085
  N      -3.305090     -6.251409      3.378058
  C      -4.626612     -6.842295      2.953534
  C      -5.709465     -6.498627      3.965755
  N      -5.690710     -5.086175      4.294226
  Mo     -3.637011     -4.623106      4.959672
  N      -2.415150     -6.155467      5.939945
  C      -1.536776     -6.817933      4.988514
  C      -2.418941     -7.339562      3.884232
  H      -1.001532     -7.666191      5.439114
  H      -0.783405     -6.104567      4.602600
  H      -3.071338     -8.111201      4.313264
  H      -1.850523     -7.783383      3.052145
  H      -6.690993     -6.826961      3.588579
  H      -5.523583     -7.070140      4.894969
  H      -4.886571     -6.437746      1.969216
  H      -4.514793     -7.929949      2.839998
  H      -2.945394     -3.677798      1.200350
  H      -4.469168     -4.550458      1.466211
  H      -1.669064     -5.244344      2.526182
  H      -2.636605     -6.190993      1.356020
  C      -4.062257     -2.236291      3.052626
  C      -4.443112     -1.696492      1.784203
  C      -4.857709     -0.393343      1.620958
  Cl     -5.321122      0.079850      0.021880
  C      -4.882217      0.535321      2.706168
  C      -5.392135      1.906215      2.625558
  O      -6.120452      2.357717      1.741207
  C      -4.978306      2.953227      3.679464
  O      -3.994500      2.915640      4.389318
  C      -4.492768      0.026279      3.943562
  C      -4.143102     -1.317210      4.173315
  C      -4.024983     -1.657933      5.545727
  O      -3.978040     -2.818571      6.050173
  C      -6.654233     -4.211375      3.938590
  C      -6.782570     -3.061379      4.782727
  C      -7.618437     -2.009832      4.504486
  Cl     -7.620762     -0.682059      5.631318
  C      -8.426619     -1.992781      3.329351
  C      -9.263880     -0.879019      2.896644
  O      -9.669462      0.059534      3.588908
  C      -9.626874     -0.731196      1.408423
  O      -8.909500     -1.041926      0.479120
  C      -8.383935     -3.156985      2.555857
  C      -7.563951     -4.263864      2.812366
  C      -7.595301     -5.304691      1.778140
  O      -8.483075     -5.429636      0.937199
  C      -2.024196     -6.069964      7.218221
  C      -0.752961     -6.533859      7.676269
  C      -0.362590     -6.423418      8.994069
  Cl      1.259536     -6.911222      9.360480
  C      -1.209574     -5.874593     10.009064
  C      -0.878186     -5.831096     11.435714
  O      -0.022071     -6.515508     11.998348
  C      -1.591229     -4.829765     12.365861
  O      -2.178444     -3.823008     12.028536
  C      -2.461109     -5.434899      9.573512
  C      -2.881048     -5.502354      8.238694
  C      -4.232561     -5.186366      7.948699
  O      -4.735997     -5.143523      6.797224
  H      -4.470530     -2.332981      0.904852
  H      -5.662282      3.836142      3.642216
  H      -4.522299      0.684737      4.810006
  H      -4.050187     -0.829326      6.270129
  H      -6.212966     -3.053489      5.707150
  H     -10.558500     -0.129308      1.271701
  H      -8.999417     -3.222061      1.658560
  H      -6.721522     -5.989067      1.725176
  H      -0.024358     -6.927111      6.972700
  H      -1.402201     -5.088174     13.436432
  H      -3.165090     -5.033864     10.301772
  H      -4.920979     -5.029151      8.798528
  N      -1.998110     -3.759320      4.980031
  N      -1.296242     -2.768155      4.870042
  H      -0.273944     -2.919996      4.906650
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.992245360788
  N      -3.711911     -3.506411      3.168494
  C      -3.513066     -4.271201      1.940810
  C      -2.697131     -5.507266      2.246068
  N      -3.310298     -6.236371      3.387518
  C      -4.629614     -6.830934      2.964398
  C      -5.702452     -6.497008      3.987576
  N      -5.686498     -5.084788      4.315782
  Mo     -3.628258     -4.613689      4.981005
  N      -2.416309     -6.159521      5.951435
  C      -1.538914     -6.813793      4.994233
  C      -2.421578     -7.325400      3.887223
  H      -1.007863     -7.670100      5.435332
  H      -0.781055     -6.101010      4.617790
  H      -3.073195     -8.103293      4.305435
  H      -1.849583     -7.761034      3.052868
  H      -6.687419     -6.833644      3.627554
  H      -5.499351     -7.066752      4.914753
  H      -4.895717     -6.420793      1.984800
  H      -4.514153     -7.917273      2.841940
  H      -2.957325     -3.670976      1.203596
  H      -4.479903     -4.538000      1.478990
  H      -1.674564     -5.228463      2.534647
  H      -2.646082     -6.168328      1.363772
  C      -4.073898     -2.217735      3.040083
  C      -4.445744     -1.684211      1.765304
  C      -4.853318     -0.380649      1.592698
  Cl     -5.304332      0.086978     -0.011156
  C      -4.884242      0.556769      2.672098
  C      -5.384717      1.931007      2.575911
  O      -6.093593      2.384172      1.677263
  C      -4.987638      2.976794      3.637150
  O      -3.997856      2.953245      4.338960
  C      -4.510614      0.053166      3.916371
  C      -4.163508     -1.289533      4.152556
  C      -4.059479     -1.635676      5.522587
  O      -4.008853     -2.797844      6.019800
  C      -6.651368     -4.213789      3.950670
  C      -6.792297     -3.064826      4.793670
  C      -7.628568     -2.015645      4.509503
  Cl     -7.649658     -0.691160      5.639036
  C      -8.424745     -1.998689      3.326547
  C      -9.261017     -0.886474      2.886203
  O      -9.668402      0.054685      3.572981
  C      -9.611442     -0.741238      1.394974
  O      -8.894116     -1.064355      0.469890
  C      -8.374013     -3.163805      2.554398
  C      -7.556210     -4.269401      2.819502
  C      -7.593979     -5.317418      1.790600
  O      -8.480770     -5.438941      0.948760
  C      -2.019878     -6.083234      7.229117
  C      -0.749242     -6.556921      7.678168
  C      -0.355034     -6.461099      8.995735
  Cl      1.264116     -6.961876      9.355566
  C      -1.196587     -5.916699     10.017900
  C      -0.860971     -5.889542     11.444951
  O      -0.005077     -6.581029     11.997671
  C      -1.565620     -4.890590     12.384696
  O      -2.151316     -3.879787     12.057140
  C      -2.445162     -5.461842      9.589873
  C      -2.868078     -5.514223      8.255278
  C      -4.213162     -5.171410      7.969035
  O      -4.719363     -5.107301      6.819491
  H      -4.471213     -2.324654      0.889014
  H      -5.661118      3.866284      3.573993
  H      -4.548375      0.714625      4.779930
  H      -4.108123     -0.811739      6.251705
  H      -6.232249     -3.058591      5.723293
  H     -10.556137     -0.161578      1.250926
  H      -8.982659     -3.230790      1.652813
  H      -6.736426     -6.021308      1.753985
  H      -0.026096     -6.947582      6.967992
  H      -1.394333     -5.171533     13.452570
  H      -3.143112     -5.059988     10.323156
  H      -4.897337     -5.008956      8.821179
  N      -1.994312     -3.743061      5.002257
  N      -1.312387     -2.737403      4.886118
  H      -0.288679     -2.868082      4.952324
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.993633111225
  N      -3.719866     -3.488630      3.170119
  C      -3.517992     -4.257927      1.946854
  C      -2.703002     -5.492885      2.258011
  N      -3.320351     -6.221125      3.397487
  C      -4.639091     -6.815333      2.974225
  C      -5.701702     -6.492043      4.009551
  N      -5.685566     -5.080851      4.340470
  Mo     -3.621729     -4.600114      4.999920
  N      -2.419897     -6.160880      5.959197
  C      -1.545151     -6.808133      4.995126
  C      -2.430725     -7.313342      3.888139
  H      -1.015609     -7.671741      5.424930
  H      -0.784658     -6.094988      4.625530
  H      -3.078248     -8.097777      4.299825
  H      -1.857606     -7.742355      3.050675
  H      -6.689538     -6.835919      3.664536
  H      -5.484101     -7.062813      4.933145
  H      -4.911225     -6.397208      1.999620
  H      -4.522021     -7.900202      2.840127
  H      -2.960486     -3.665185      1.204351
  H      -4.483756     -4.523593      1.482403
  H      -1.680755     -5.215001      2.547839
  H      -2.649732     -6.152498      1.374323
  C      -4.084360     -2.203460      3.028879
  C      -4.444195     -1.673895      1.747928
  C      -4.845330     -0.370383      1.565555
  Cl     -5.276513      0.093625     -0.044244
  C      -4.887070      0.572769      2.642266
  C      -5.379771      1.950011      2.531736
  O      -6.060396      2.406649      1.613976
  C      -4.998946      2.994520      3.600014
  O      -4.026497      2.964647      4.325598
  C      -4.531223      0.072706      3.892400
  C      -4.185668     -1.268933      4.134583
  C      -4.095882     -1.619738      5.503237
  O      -4.041628     -2.783876      5.996266
  C      -6.652574     -4.214106      3.967175
  C      -6.806039     -3.062805      4.803373
  C      -7.638787     -2.014093      4.505882
  Cl     -7.671643     -0.686282      5.629809
  C      -8.421055     -2.002233      3.313771
  C      -9.251894     -0.890104      2.859303
  O      -9.661321      0.056221      3.537012
  C      -9.597446     -0.761041      1.365575
  O      -8.870171     -1.079126      0.446519
  C      -8.365101     -3.173251      2.550166
  C      -7.551705     -4.277423      2.831810
  C      -7.595202     -5.339644      1.815059
  O      -8.472177     -5.455407      0.962639
  C      -2.016927     -6.092385      7.236402
  C      -0.747136     -6.577621      7.676217
  C      -0.347198     -6.496104      8.993049
  Cl      1.268256     -7.011775      9.343361
  C      -1.182381     -5.953952     10.022536
  C      -0.840104     -5.944670     11.449885
  O       0.012010     -6.648695     11.990692
  C      -1.535301     -4.950310     12.402474
  O      -2.096518     -3.921584     12.088403
  C      -2.427371     -5.483662      9.603300
  C      -2.854449     -5.521590      8.269058
  C      -4.192594     -5.153247      7.988409
  O      -4.702615     -5.069340      6.841734
  H      -4.462522     -2.318648      0.874363
  H      -5.689726      3.871751      3.548729
  H      -4.579396      0.735601      4.754486
  H      -4.168203     -0.797647      6.232623
  H      -6.257209     -3.053674      5.739245
  H     -10.534778     -0.170689      1.215210
  H      -8.966961     -3.246235      1.644615
  H      -6.750723     -6.059684      1.801682
  H      -0.030316     -6.967109      6.959186
  H      -1.356052     -5.241206     13.466540
  H      -3.118634     -5.079987     10.341891
  H      -4.868431     -4.982939      8.845810
  N      -1.996763     -3.718903      5.030881
  N      -1.329309     -2.701964      4.917180
  H      -0.307795     -2.829061      5.027602
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.994759103036
  N      -3.720634     -3.480553      3.165700
  C      -3.510735     -4.253303      1.945917
  C      -2.698791     -5.487414      2.264452
  N      -3.323111     -6.212182      3.402350
  C      -4.641149     -6.803436      2.977416
  C      -5.696442     -6.491026      4.023200
  N      -5.684248     -5.080866      4.357641
  Mo     -3.614265     -4.588589      5.008706
  N      -2.420556     -6.159405      5.963676
  C      -1.547520     -6.804803      4.996207
  C      -2.434197     -7.307755      3.888742
  H      -1.018201     -7.671110      5.421323
  H      -0.786368     -6.090838      4.628788
  H      -3.078468     -8.095753      4.298775
  H      -1.861207     -7.733331      3.049480
  H      -6.685785     -6.841742      3.689928
  H      -5.465400     -7.063310      4.942366
  H      -4.917787     -6.375734      2.007882
  H      -4.522139     -7.886640      2.831394
  H      -2.950500     -3.663381      1.203094
  H      -4.474201     -4.520283      1.476164
  H      -1.678843     -5.207306      2.560611
  H      -2.638731     -6.149485      1.383260
  C      -4.090117     -2.197935      3.014324
  C      -4.436875     -1.673555      1.727192
  C      -4.834667     -0.370615      1.534034
  Cl     -5.243448      0.086140     -0.083728
  C      -4.890423      0.576541      2.607483
  C      -5.377840      1.954637      2.484813
  O      -6.036728      2.413168      1.552223
  C      -5.024888      2.997289      3.564523
  O      -4.056386      2.977797      4.295926
  C      -4.552286      0.080263      3.863670
  C      -4.206302     -1.259289      4.113486
  C      -4.131344     -1.610372      5.481991
  O      -4.074099     -2.776441      5.972722
  C      -6.655020     -4.218443      3.981668
  C      -6.818609     -3.072076      4.822386
  C      -7.645811     -2.019425      4.522123
  Cl     -7.686139     -0.698815      5.654179
  C      -8.415747     -2.000628      3.322450
  C      -9.238787     -0.883744      2.864635
  O      -9.645664      0.064802      3.540866
  C      -9.581101     -0.755321      1.369899
  O      -8.849788     -1.071274      0.453387
  C      -8.358575     -3.170698      2.557605
  C      -7.550972     -4.278905      2.842430
  C      -7.606367     -5.342887      1.826910
  O      -8.476645     -5.439654      0.964999
  C      -2.013045     -6.094412      7.240204
  C      -0.743729     -6.586945      7.674697
  C      -0.340378     -6.516735      8.991351
  Cl      1.273228     -7.041988      9.333261
  C      -1.172167     -5.978380     10.026104
  C      -0.828141     -5.982553     11.453440
  O       0.019789     -6.695953     11.987982
  C      -1.521165     -4.996000     12.416013
  O      -2.074744     -3.960342     12.111710
  C      -2.414261     -5.497961      9.612332
  C      -2.843662     -5.524326      8.278049
  C      -4.176491     -5.137170      8.001972
  O      -4.686728     -5.036936      6.856826
  H      -4.444293     -2.322602      0.856445
  H      -5.719297      3.871129      3.503425
  H      -4.613411      0.744539      4.724213
  H      -4.226651     -0.790259      6.210534
  H      -6.280667     -3.068826      5.764636
  H     -10.514518     -0.159270      1.216891
  H      -8.956356     -3.240586      1.649042
  H      -6.776982     -6.079619      1.822275
  H      -0.029864     -6.974801      6.953632
  H      -1.353612     -5.303994     13.477338
  H      -3.101812     -5.093797     10.354522
  H      -4.846558     -4.960245      8.862707
  N      -2.000670     -3.696798      5.049846
  N      -1.344592     -2.670243      4.938342
  H      -0.329868     -2.787773      5.111196
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.995779361562
  N      -3.724429     -3.471719      3.158282
  C      -3.503319     -4.248938      1.944514
  C      -2.700114     -5.484769      2.275742
  N      -3.334144     -6.203000      3.411528
  C      -4.651004     -6.791444      2.982786
  C      -5.701807     -6.491413      4.039531
  N      -5.693460     -5.081535      4.380403
  Mo     -3.619732     -4.573026      5.019284
  N      -2.424566     -6.150012      5.969437
  C      -1.558108     -6.801569      4.998081
  C      -2.448458     -7.302431      3.896068
  H      -1.032561     -7.669922      5.424074
  H      -0.793644     -6.092854      4.626284
  H      -3.090638     -8.089794      4.311111
  H      -1.880876     -7.729806      3.054163
  H      -6.692724     -6.846321      3.716021
  H      -5.459097     -7.067640      4.953030
  H      -4.932064     -6.351958      2.019525
  H      -4.527733     -7.872477      2.822996
  H      -2.933566     -3.664592      1.204278
  H      -4.463145     -4.513150      1.464184
  H      -1.682671     -5.204697      2.580988
  H      -2.633043     -6.151410      1.398796
  C      -4.100374     -2.191371      3.000547
  C      -4.431738     -1.669075      1.708373
  C      -4.823384     -0.365261      1.507242
  Cl     -5.205668      0.088581     -0.118113
  C      -4.893620      0.582154      2.579938
  C      -5.371717      1.962182      2.449108
  O      -5.998817      2.429956      1.499035
  C      -5.041220      3.001641      3.539571
  O      -4.087442      2.978767      4.290418
  C      -4.575559      0.086212      3.841322
  C      -4.230792     -1.252162      4.097146
  C      -4.171288     -1.603509      5.465525
  O      -4.112937     -2.772643      5.952038
  C      -6.667210     -4.223083      3.998346
  C      -6.851209     -3.085154      4.845800
  C      -7.667688     -2.026522      4.535155
  Cl     -7.727053     -0.716379      5.679108
  C      -8.410649     -1.997300      3.319129
  C      -9.218324     -0.874046      2.850119
  O      -9.619917      0.082472      3.518623
  C      -9.541913     -0.743385      1.350799
  O      -8.813387     -1.087232      0.441918
  C      -8.345544     -3.165464      2.551902
  C      -7.547911     -4.279283      2.846324
  C      -7.605422     -5.345537      1.832392
  O      -8.462057     -5.426414      0.954764
  C      -2.008645     -6.090213      7.243300
  C      -0.736422     -6.586619      7.667003
  C      -0.325741     -6.529374      8.982214
  Cl      1.288949     -7.060196      9.308977
  C      -1.152650     -6.000517     10.026260
  C      -0.801344     -6.017791     11.451577
  O       0.051165     -6.734000     11.975518
  C      -1.487194     -5.038248     12.426538
  O      -2.030872     -3.994129     12.133251
  C      -2.395648     -5.514817      9.623301
  C      -2.831804     -5.528028      8.290494
  C      -4.162245     -5.128963      8.023236
  O      -4.674364     -5.009582      6.880694
  H      -4.426316     -2.321032      0.839527
  H      -5.748457      3.865784      3.485940
  H      -4.650317      0.750082      4.701563
  H      -4.289840     -0.787367      6.194339
  H      -6.336303     -3.090895      5.800911
  H     -10.483371     -0.163559      1.183582
  H      -8.929705     -3.230058      1.633993
  H      -6.794556     -6.102229      1.849226
  H      -0.026799     -6.968839      6.938284
  H      -1.316243     -5.355539     13.484772
  H      -3.079274     -5.115960     10.372431
  H      -4.826728     -4.954100      8.888881
  N      -2.017766     -3.668363      5.068223
  N      -1.360736     -2.640490      4.960923
  H      -0.357575     -2.759155      5.195658
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.996745730186
  N      -3.724672     -3.467969      3.151803
  C      -3.490953     -4.246098      1.941887
  C      -2.698125     -5.484442      2.284339
  N      -3.343097     -6.195080      3.418230
  C      -4.659584     -6.779017      2.985479
  C      -5.706983     -6.492252      4.051517
  N      -5.704421     -5.083214      4.400263
  Mo     -3.628185     -4.558089      5.026326
  N      -2.429581     -6.138793      5.973934
  C      -1.568335     -6.796899      5.000497
  C      -2.462626     -7.298117      3.904046
  H      -1.044794     -7.663720      5.431436
  H      -0.802892     -6.092547      4.621840
  H      -3.105547     -8.081588      4.326044
  H      -1.901676     -7.729707      3.060174
  H      -6.698633     -6.849624      3.733829
  H      -5.454294     -7.073260      4.958983
  H      -4.945365     -6.326068      2.030002
  H      -4.533167     -7.857638      2.811040
  H      -2.910357     -3.663113      1.209056
  H      -4.446018     -4.506463      1.449416
  H      -1.683756     -5.204306      2.600281
  H      -2.623530     -6.156770      1.412694
  C      -4.106274     -2.188890      2.990354
  C      -4.419667     -1.668011      1.693528
  C      -4.806743     -0.363448      1.485183
  Cl     -5.158204      0.088709     -0.147932
  C      -4.896276      0.582125      2.557076
  C      -5.369427      1.962071      2.419012
  O      -5.968913      2.435897      1.453509
  C      -5.073489      2.998813      3.522182
  O      -4.117348      2.995174      4.270689
  C      -4.599780      0.085779      3.823762
  C      -4.254383     -1.251313      4.085682
  C      -4.210356     -1.601044      5.454359
  O      -4.150154     -2.773090      5.936167
  C      -6.681026     -4.229124      4.013326
  C      -6.880253     -3.097214      4.865583
  C      -7.685644     -2.032724      4.544870
  Cl     -7.758756     -0.728947      5.696319
  C      -8.405667     -1.995331      3.315503
  C      -9.197775     -0.865889      2.836380
  O      -9.593557      0.098155      3.498470
  C      -9.517194     -0.738680      1.335518
  O      -8.774494     -1.065543      0.431803
  C      -8.337055     -3.163825      2.549124
  C      -7.549928     -4.283833      2.852059
  C      -7.614343     -5.355906      1.844674
  O      -8.455343     -5.419362      0.950161
  C      -2.005003     -6.083673      7.244840
  C      -0.727573     -6.577802      7.657571
  C      -0.309461     -6.532041      8.970969
  Cl      1.309124     -7.060876      9.282231
  C      -1.132692     -6.017401     10.024739
  C      -0.773921     -6.046400     11.447003
  O       0.088596     -6.759936     11.959529
  C      -1.455107     -5.077105     12.434888
  O      -2.000594     -4.030670     12.152738
  C      -2.379288     -5.532094      9.632699
  C      -2.822614     -5.533153      8.302124
  C      -4.153287     -5.128554      8.044199
  O      -4.664837     -4.991018      6.904062
  H      -4.398290     -2.321276      0.825977
  H      -5.774798      3.865786      3.446361
  H      -4.691260      0.748411      4.683361
  H      -4.347377     -0.789969      6.184694
  H      -6.383357     -3.109116      5.830282
  H     -10.436816     -0.126264      1.164322
  H      -8.911330     -3.225637      1.624950
  H      -6.822496     -6.131620      1.879870
  H      -0.019773     -6.950104      6.921823
  H      -1.286042     -5.406516     13.489647
  H      -3.060564     -5.142116     10.388758
  H      -4.815572     -4.961954      8.913134
  N      -2.035749     -3.643207      5.083681
  N      -1.370676     -2.619040      4.980756
  H      -0.385155     -2.736961      5.282567
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.997589440268
  N      -3.720891     -3.469426      3.149037
  C      -3.477631     -4.246729      1.939099
  C      -2.690038     -5.486204      2.284938
  N      -3.344141     -6.191078      3.418417
  C      -4.663453     -6.764600      2.984115
  C      -5.703402     -6.488107      4.056416
  N      -5.706207     -5.081932      4.412175
  Mo     -3.623927     -4.549038      5.027620
  N      -2.430628     -6.136941      5.976958
  C      -1.572171     -6.797614      5.003809
  C      -2.472316     -7.299136      3.908211
  H      -1.048786     -7.662228      5.438038
  H      -0.807545     -6.094525      4.621421
  H      -3.122380     -8.075454      4.332781
  H      -1.915756     -7.736334      3.064570
  H      -6.695619     -6.846537      3.742667
  H      -5.441731     -7.072724      4.958658
  H      -4.952801     -6.297360      2.037070
  H      -4.541160     -7.841290      2.795529
  H      -2.891965     -3.659290      1.214189
  H      -4.428603     -4.507169      1.439449
  H      -1.677456     -5.206594      2.607516
  H      -2.611499     -6.162369      1.416687
  C      -4.107023     -2.192193      2.981884
  C      -4.406449     -1.676295      1.680093
  C      -4.797472     -0.373828      1.463542
  Cl     -5.126081      0.072403     -0.176100
  C      -4.910630      0.572073      2.531329
  C      -5.391230      1.947532      2.385834
  O      -5.970324      2.420968      1.407352
  C      -5.138404      2.983911      3.499438
  O      -4.195202      2.996547      4.264183
  C      -4.629069      0.079891      3.803379
  C      -4.276217     -1.254076      4.072736
  C      -4.243160     -1.599724      5.442162
  O      -4.175647     -2.772012      5.923248
  C      -6.682009     -4.228871      4.023754
  C      -6.874050     -3.095981      4.877818
  C      -7.665122     -2.022372      4.553918
  Cl     -7.730044     -0.717889      5.705754
  C      -8.378492     -1.976294      3.320918
  C      -9.152352     -0.837777      2.836376
  O      -9.527439      0.139216      3.491827
  C      -9.477164     -0.713916      1.336681
  O      -8.746330     -1.061262      0.431052
  C      -8.322895     -3.146804      2.557357
  C      -7.551710     -4.277750      2.861945
  C      -7.639663     -5.353688      1.861164
  O      -8.477498     -5.397522      0.962332
  C      -2.000716     -6.083702      7.246507
  C      -0.719913     -6.574055      7.654413
  C      -0.298730     -6.534874      8.966871
  Cl      1.323442     -7.058907      9.270395
  C      -1.119946     -6.030148     10.026088
  C      -0.759849     -6.066589     11.446578
  O       0.104108     -6.782104     11.955019
  C      -1.448239     -5.112979     12.443791
  O      -1.995293     -4.064520     12.172004
  C      -2.368539     -5.544895      9.638584
  C      -2.814739     -5.538151      8.309637
  C      -4.144889     -5.126356      8.057192
  O      -4.652711     -4.974739      6.918623
  H      -4.369747     -2.330360      0.814119
  H      -5.862680      3.831352      3.424353
  H      -4.738162      0.743342      4.660037
  H      -4.392727     -0.792369      6.173856
  H      -6.378612     -3.112776      5.843328
  H     -10.395872     -0.101045      1.164375
  H      -8.896577     -3.203684      1.632540
  H      -6.878328     -6.157640      1.907865
  H      -0.010517     -6.937920      6.916488
  H      -1.287127     -5.456507     13.494941
  H      -3.048753     -5.159493     10.397737
  H      -4.808345     -4.964334      8.925945
  N      -2.037117     -3.635808      5.090688
  N      -1.373233     -2.611006      4.984068
  H      -0.408952     -2.701867      5.352861
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.998405811471
  N      -3.726500     -3.469719      3.146009
  C      -3.471063     -4.248344      1.939980
  C      -2.692424     -5.490728      2.295682
  N      -3.357480     -6.187506      3.427174
  C      -4.679003     -6.750760      2.988031
  C      -5.712114     -6.487476      4.068757
  N      -5.719430     -5.083113      4.433160
  Mo     -3.634977     -4.538427      5.035645
  N      -2.437426     -6.130271      5.984145
  C      -1.588387     -6.800707      5.008925
  C      -2.498769     -7.301354      3.923047
  H      -1.069509     -7.665582      5.447744
  H      -0.820425     -6.107227      4.616826
  H      -3.158410     -8.065199      4.355121
  H      -1.951121     -7.751367      3.080056
  H      -6.704989     -6.847562      3.760029
  H      -5.441839     -7.075853      4.966084
  H      -4.971647     -6.266178      2.051175
  H      -4.560051     -7.824726      2.781606
  H      -2.871855     -3.663658      1.223800
  H      -4.416082     -4.502981      1.427140
  H      -1.680068     -5.217492      2.623797
  H      -2.613208     -6.169520      1.429286
  C      -4.113834     -2.193974      2.973078
  C      -4.396955     -1.678666      1.667255
  C      -4.786083     -0.376625      1.445716
  Cl     -5.088146      0.071518     -0.198234
  C      -4.919014      0.568777      2.511498
  C      -5.401207      1.942945      2.360528
  O      -5.952059      2.421756      1.368525
  C      -5.186888      2.973875      3.486276
  O      -4.254399      2.999183      4.263778
  C      -4.652616      0.078216      3.787353
  C      -4.296860     -1.254540      4.061688
  C      -4.271088     -1.597107      5.431095
  O      -4.200778     -2.769375      5.911346
  C      -6.692775     -4.230333      4.036483
  C      -6.901934     -3.106067      4.898235
  C      -7.679775     -2.026144      4.565252
  Cl     -7.771914     -0.733479      5.728232
  C      -8.363074     -1.965561      3.315783
  C      -9.116343     -0.818444      2.820514
  O      -9.484574      0.165688      3.469045
  C      -9.433910     -0.696388      1.319765
  O      -8.703820     -1.053136      0.417198
  C      -8.298683     -3.131789      2.546194
  C      -7.541710     -4.269439      2.858733
  C      -7.623191     -5.342460      1.853777
  O      -8.439186     -5.369541      0.934767
  C      -1.995820     -6.079359      7.249937
  C      -0.708211     -6.562636      7.645140
  C      -0.278752     -6.530602      8.954790
  Cl      1.349728     -7.044349      9.244332
  C      -1.095262     -6.040137     10.023813
  C      -0.725462     -6.083394     11.441066
  O       0.148166     -6.794503     11.939429
  C      -1.418642     -5.146253     12.449717
  O      -1.964779     -4.093835     12.191074
  C      -2.349793     -5.558938      9.647781
  C      -2.804217     -5.544357      8.322628
  C      -4.136748     -5.131711      8.079463
  O      -4.646016     -4.962770      6.945192
  H      -4.346824     -2.331858      0.801675
  H      -5.928426      3.805733      3.409309
  H      -4.774569      0.742385      4.641557
  H      -4.430964     -0.792914      6.163892
  H      -6.428684     -3.135237      5.874318
  H     -10.351009     -0.082852      1.142608
  H      -8.852949     -3.179642      1.609092
  H      -6.887623     -6.167692      1.923552
  H      -0.000508     -6.914305      6.900003
  H      -1.248064     -5.496967     13.496706
  H      -3.027158     -5.183217     10.414073
  H      -4.799685     -4.981893      8.950846
  N      -2.050512     -3.624977      5.100588
  N      -1.376679     -2.608111      4.988537
  H      -0.437494     -2.679277      5.420035
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.999093645456
  N      -3.727861     -3.472974      3.142809
  C      -3.452788     -4.249329      1.939165
  C      -2.684827     -5.495787      2.306132
  N      -3.365622     -6.184608      3.432451
  C      -4.688208     -6.735621      2.983643
  C      -5.717340     -6.488892      4.070642
  N      -5.730504     -5.087528      4.449470
  Mo     -3.645459     -4.530045      5.039562
  N      -2.446283     -6.125332      5.989732
  C      -1.604489     -6.804841      5.014014
  C      -2.523517     -7.305257      3.936797
  H      -1.089099     -7.670173      5.456580
  H      -0.833554     -6.120191      4.613040
  H      -3.194467     -8.055390      4.374939
  H      -1.982450     -7.769933      3.097065
  H      -6.709774     -6.851174      3.762661
  H      -5.441396     -7.082939      4.962430
  H      -4.980825     -6.230496      2.058227
  H      -4.573527     -7.806099      2.755543
  H      -2.835985     -3.665465      1.237207
  H      -4.388371     -4.496403      1.406540
  H      -1.673483     -5.230542      2.642908
  H      -2.602661     -6.175614      1.440519
  C      -4.113983     -2.197706      2.962210
  C      -4.376637     -1.682171      1.651833
  C      -4.767003     -0.381812      1.424438
  Cl     -5.040529      0.068287     -0.223610
  C      -4.926250      0.562789      2.488008
  C      -5.418558      1.933343      2.330280
  O      -5.937264      2.414980      1.322769
  C      -5.250036      2.959848      3.466649
  O      -4.333350      3.000199      4.262368
  C      -4.675387      0.074385      3.767678
  C      -4.314010     -1.256141      4.047065
  C      -4.295569     -1.596068      5.416797
  O      -4.222337     -2.768374      5.897285
  C      -6.703068     -4.233849      4.050442
  C      -6.923120     -3.117834      4.920475
  C      -7.689287     -2.031193      4.583625
  Cl     -7.799634     -0.749165      5.755737
  C      -8.348895     -1.955303      3.321703
  C      -9.080890     -0.796889      2.820081
  O      -9.426092      0.199100      3.463116
  C      -9.385976     -0.668593      1.318036
  O      -8.651502     -1.025300      0.418842
  C      -8.282745     -3.118329      2.546708
  C      -7.540408     -4.263388      2.864364
  C      -7.629432     -5.338507      1.860981
  O      -8.423149     -5.344518      0.922525
  C      -1.994037     -6.073721      7.252312
  C      -0.700147     -6.548822      7.635820
  C      -0.263436     -6.522128      8.943102
  Cl      1.370931     -7.024655      9.220756
  C      -1.076657     -6.046030     10.020913
  C      -0.698502     -6.097208     11.435804
  O       0.192199     -6.795362     11.921965
  C      -1.389903     -5.169290     12.453513
  O      -1.952962     -4.123286     12.204019
  C      -2.336927     -5.569559      9.654930
  C      -2.797921     -5.548637      8.333162
  C      -4.132839     -5.136549      8.097107
  O      -4.642482     -4.951360      6.966784
  H      -4.309283     -2.333227      0.785888
  H      -6.019678      3.765965      3.392002
  H      -4.812976      0.738801      4.619217
  H      -4.465167     -0.793841      6.149489
  H      -6.463811     -3.159139      5.902859
  H     -10.294273     -0.042958      1.137873
  H      -8.824412     -3.158164      1.602031
  H      -6.928053     -6.190515      1.954774
  H       0.006408     -6.889291      6.884215
  H      -1.230080     -5.536200     13.496653
  H      -3.012232     -5.203413     10.427608
  H      -4.796000     -4.999848      8.970763
  N      -2.059831     -3.615234      5.110334
  N      -1.373800     -2.608922      4.991825
  H      -0.461076     -2.661095      5.480053
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7752.999710589984
  N      -3.729787     -3.476885      3.143016
  C      -3.431582     -4.248902      1.940562
  C      -2.675021     -5.500359      2.317030
  N      -3.373053     -6.182409      3.436136
  C      -4.696509     -6.720198      2.976747
  C      -5.721171     -6.491949      4.070092
  N      -5.739670     -5.094340      4.464738
  Mo     -3.654396     -4.525006      5.043073
  N      -2.456767     -6.125252      5.995419
  C      -1.621930     -6.812959      5.019401
  C      -2.549215     -7.311085      3.948784
  H      -1.110239     -7.680346      5.463272
  H      -0.847387     -6.136675      4.611451
  H      -3.232197     -8.047556      4.391067
  H      -2.013498     -7.790472      3.113430
  H      -6.712880     -6.857342      3.762908
  H      -5.439578     -7.091949      4.955908
  H      -4.988912     -6.193388      2.063788
  H      -4.586534     -7.786392      2.725032
  H      -2.796571     -3.664322      1.255472
  H      -4.355906     -4.488018      1.385548
  H      -1.664635     -5.244613      2.662997
  H      -2.589936     -6.179218      1.450634
  C      -4.114474     -2.202206      2.953406
  C      -4.355719     -1.686539      1.638505
  C      -4.751544     -0.389343      1.404634
  Cl     -4.996160      0.062151     -0.247298
  C      -4.941373      0.554216      2.465276
  C      -5.450517      1.918795      2.299272
  O      -5.944091      2.398478      1.278669
  C      -5.340671      2.939419      3.446941
  O      -4.429635      3.015652      4.246722
  C      -4.705258      0.068525      3.748638
  C      -4.334281     -1.258238      4.032854
  C      -4.321046     -1.596166      5.402992
  O      -4.241665     -2.768006      5.885071
  C      -6.709755     -4.237679      4.064444
  C      -6.936033     -3.128924      4.942486
  C      -7.688354     -2.033560      4.603748
  Cl     -7.811659     -0.762160      5.784793
  C      -8.325307     -1.940267      3.330660
  C      -9.031718     -0.767817      2.823646
  O      -9.353610      0.238731      3.462262
  C      -9.329245     -0.634682      1.321253
  O      -8.597172     -0.999070      0.423034
  C      -8.260534     -3.099401      2.548912
  C      -7.535397     -4.253751      2.870292
  C      -7.632672     -5.328213      1.865165
  O      -8.399934     -5.308975      0.905232
  C      -1.995347     -6.071163      7.255235
  C      -0.696989     -6.540749      7.628457
  C      -0.253787     -6.518159      8.933718
  Cl      1.384920     -7.012888      9.201001
  C      -1.063251     -6.052386     10.018890
  C      -0.677300     -6.111280     11.431991
  O       0.220290     -6.807013     11.908515
  C      -1.374230     -5.200053     12.460531
  O      -1.914317     -4.138177     12.227247
  C      -2.328074     -5.579055      9.661551
  C      -2.794461     -5.552602      8.342642
  C      -4.130733     -5.138807      8.112625
  O      -4.641155     -4.938679      6.986287
  H      -4.267670     -2.334342      0.771830
  H      -6.128498      3.725892      3.353741
  H      -4.860453      0.732477      4.597424
  H      -4.500379     -0.794861      6.134397
  H      -6.488127     -3.183588      5.929800
  H     -10.233409     -0.003011      1.140255
  H      -8.789294     -3.128717      1.596683
  H      -6.968891     -6.207353      1.981265
  H       0.007607     -6.873620      6.871214
  H      -1.181839     -5.562192     13.499937
  H      -3.000927     -5.220191     10.439748
  H      -4.793151     -5.012976      8.988874
  N      -2.066263     -3.610735      5.121233
  N      -1.369956     -2.614228      4.993741
  H      -0.483667     -2.643409      5.531303
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.000338168965
  N      -3.735777     -3.478882      3.142850
  C      -3.416131     -4.250816      1.944633
  C      -2.672653     -5.507619      2.329724
  N      -3.385562     -6.182026      3.442878
  C      -4.711388     -6.706451      2.977380
  C      -5.726755     -6.494827      4.081229
  N      -5.746849     -5.100143      4.486883
  Mo     -3.658748     -4.521056      5.049768
  N      -2.463829     -6.128991      6.003428
  C      -1.641345     -6.828619      5.025609
  C      -2.579442     -7.319926      3.961950
  H      -1.136980     -7.700498      5.469683
  H      -0.860403     -6.163953      4.610448
  H      -3.273459     -8.042333      4.410384
  H      -2.052676     -7.814325      3.129480
  H      -6.719293     -6.863673      3.782204
  H      -5.434732     -7.099446      4.960320
  H      -5.007286     -6.159713      2.077143
  H      -4.605734     -7.767864      2.703402
  H      -2.764593     -3.668149      1.273375
  H      -4.329968     -4.483535      1.369534
  H      -1.662025     -5.262506      2.682300
  H      -2.587989     -6.186206      1.462859
  C      -4.121541     -2.206573      2.943198
  C      -4.344013     -1.693184      1.623822
  C      -4.747111     -0.399777      1.382326
  Cl     -4.962983      0.050524     -0.274019
  C      -4.966234      0.543011      2.438655
  C      -5.491212      1.900595      2.264073
  O      -5.963787      2.378793      1.233100
  C      -5.440652      2.914161      3.421873
  O      -4.547109      3.016217      4.238342
  C      -4.742777      0.061631      3.725809
  C      -4.360043     -1.259939      4.016140
  C      -4.347309     -1.593947      5.386882
  O      -4.256258     -2.763355      5.873362
  C      -6.711382     -4.239284      4.081538
  C      -6.948318     -3.139542      4.968329
  C      -7.684033     -2.033901      4.627068
  Cl     -7.827226     -0.778360      5.822353
  C      -8.291273     -1.919746      3.341027
  C      -8.968323     -0.732766      2.828202
  O      -9.285418      0.276749      3.464758
  C      -9.270222     -0.600722      1.326810
  O      -8.540916     -0.966539      0.427090
  C      -8.221259     -3.071054      2.547867
  C      -7.514099     -4.235830      2.871530
  C      -7.602634     -5.298724      1.852115
  O      -8.333602     -5.249364      0.865252
  C      -1.992248     -6.071629      7.259215
  C      -0.691605     -6.542825      7.622143
  C      -0.239656     -6.522303      8.924488
  Cl      1.400769     -7.018618      9.179711
  C      -1.041399     -6.057728     10.015971
  C      -0.647240     -6.119568     11.426666
  O       0.250280     -6.818130     11.898641
  C      -1.348859     -5.221253     12.463515
  O      -1.901148     -4.163668     12.240129
  C      -2.307964     -5.581622      9.667989
  C      -2.782369     -5.551396      8.352259
  C      -4.117764     -5.128874      8.130729
  O      -4.632827     -4.916071      7.009274
  H      -4.233662     -2.338897      0.757989
  H      -6.258642      3.668762      3.323816
  H      -4.914325      0.725734      4.571448
  H      -4.536886     -0.792181      6.115134
  H      -6.519375     -3.210613      5.963231
  H     -10.169883      0.038541      1.149116
  H      -8.728501     -3.084344      1.583543
  H      -6.970561     -6.198698      1.984400
  H       0.006710     -6.875878      6.859084
  H      -1.173051     -5.603395     13.498919
  H      -2.974524     -5.222792     10.451754
  H      -4.774811     -5.005668      9.011613
  N      -2.071562     -3.612562      5.128329
  N      -1.369510     -2.622062      4.986745
  H      -0.510585     -2.620308      5.567433
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.000981611274
  N      -3.735895     -3.480238      3.139899
  C      -3.385804     -4.249125      1.947132
  C      -2.657348     -5.511274      2.341783
  N      -3.390340     -6.180014      3.443622
  C      -4.715817     -6.689129      2.964078
  C      -5.727644     -6.499803      4.075465
  N      -5.750043     -5.110711      4.501427
  Mo     -3.661406     -4.520298      5.051560
  N      -2.472013     -6.135420      6.009210
  C      -1.659836     -6.847637      5.031969
  C      -2.604440     -7.328640      3.969753
  H      -1.165728     -7.724877      5.477216
  H      -0.870200     -6.194695      4.614086
  H      -3.310672     -8.037001      4.422001
  H      -2.085221     -7.836926      3.140902
  H      -6.720376     -6.869704      3.778912
  H      -5.427898     -7.114933      4.944279
  H      -5.011256     -6.118499      2.078407
  H      -4.611792     -7.743501      2.662821
  H      -2.715783     -3.665346      1.295065
  H      -4.285142     -4.476456      1.346904
  H      -1.648923     -5.275705      2.706927
  H      -2.567856     -6.188716      1.474373
  C      -4.123684     -2.210615      2.929459
  C      -4.321535     -1.699280      1.605511
  C      -4.736037     -0.410947      1.355067
  Cl     -4.915816      0.037662     -0.306228
  C      -4.993605      0.528065      2.406297
  C      -5.541877      1.874562      2.221748
  O      -5.986720      2.351715      1.177968
  C      -5.555517      2.881318      3.386702
  O      -4.682080      3.012279      4.220717
  C      -4.784223      0.051527      3.697688
  C      -4.386084     -1.263105      3.995238
  C      -4.374611     -1.593423      5.366694
  O      -4.268741     -2.759811      5.857120
  C      -6.712025     -4.244400      4.099483
  C      -6.956049     -3.156846      4.999292
  C      -7.678096     -2.040443      4.663083
  Cl     -7.833366     -0.803880      5.876501
  C      -8.263225     -1.903141      3.368977
  C      -8.911518     -0.699478      2.858509
  O      -9.197354      0.319734      3.494944
  C      -9.201132     -0.551319      1.355870
  O      -8.468189     -0.916172      0.458848
  C      -8.193403     -3.045123      2.562201
  C      -7.502217     -4.221101      2.881529
  C      -7.597735     -5.275605      1.853502
  O      -8.293007     -5.193015      0.843187
  C      -1.994168     -6.073943      7.262109
  C      -0.693441     -6.549963      7.619380
  C      -0.235828     -6.530451      8.919850
  Cl      1.404139     -7.032677      9.167270
  C      -1.032107     -6.062930     10.014288
  C      -0.633754     -6.126906     11.423567
  O       0.268617     -6.821588     11.892104
  C      -1.329976     -5.227497     12.463554
  O      -1.883204     -4.169958     12.242821
  C      -2.297862     -5.581490      9.671570
  C      -2.777231     -5.548746      8.357445
  C      -4.110072     -5.115779      8.141282
  O      -4.627988     -4.891898      7.023261
  H      -4.180276     -2.341334      0.741315
  H      -6.403378      3.601219      3.280606
  H      -4.977291      0.714217      4.540038
  H      -4.576796     -0.791402      6.091210
  H      -6.538497     -3.244784      5.997996
  H     -10.088838      0.104523      1.177808
  H      -8.687466     -3.041787      1.590922
  H      -7.009003     -6.201650      2.004088
  H      -0.000993     -6.887117      6.852835
  H      -1.161693     -5.617131     13.497634
  H      -2.959191     -5.219528     10.458454
  H      -4.761775     -4.991535      9.026086
  N      -2.074328     -3.617239      5.134203
  N      -1.361759     -2.635428      4.979657
  H      -0.531109     -2.608239      5.599199
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.001736528496
  N      -3.732569     -3.481630      3.137609
  C      -3.347184     -4.244529      1.950714
  C      -2.635631     -5.512459      2.353483
  N      -3.391403     -6.175981      3.440879
  C      -4.715809     -6.668976      2.944437
  C      -5.726520     -6.505669      4.062523
  N      -5.747630     -5.124540      4.514312
  Mo     -3.661043     -4.524161      5.050762
  N      -2.481571     -6.146797      6.014110
  C      -1.679516     -6.872418      5.039065
  C      -2.628520     -7.337404      3.973143
  H      -1.199384     -7.757161      5.484809
  H      -0.878123     -6.231987      4.623489
  H      -3.348652     -8.030601      4.427855
  H      -2.117709     -7.859142      3.147676
  H      -6.719783     -6.873762      3.766280
  H      -5.419895     -7.135399      4.917865
  H      -5.011121     -6.073353      2.074985
  H      -4.610904     -7.714414      2.613189
  H      -2.658949     -3.657100      1.321055
  H      -4.229729     -4.467256      1.323865
  H      -1.630608     -5.286119      2.733559
  H      -2.539549     -6.188387      1.485558
  C      -4.123357     -2.215114      2.914052
  C      -4.293929     -1.707946      1.585327
  C      -4.727783     -0.427664      1.323082
  Cl     -4.867700      0.016666     -0.343333
  C      -5.034850      0.504553      2.366585
  C      -5.621922      1.831394      2.167726
  O      -6.045816      2.299364      1.110816
  C      -5.716883      2.831050      3.335458
  O      -4.868499      3.004377      4.187592
  C      -4.835613      0.036849      3.663069
  C      -4.412644     -1.266620      3.970355
  C      -4.396071     -1.590632      5.343340
  O      -4.269347     -2.751477      5.839392
  C      -6.705209     -4.248009      4.121122
  C      -6.952603     -3.175842      5.037938
  C      -7.659941     -2.046225      4.712499
  Cl     -7.824070     -0.834076      5.949348
  C      -8.222439     -1.879475      3.412029
  C      -8.833477     -0.653372      2.910243
  O      -9.083428      0.372220      3.552253
  C      -9.120143     -0.482921      1.408671
  O      -8.390983     -0.849346      0.509329
  C      -8.156560     -3.008668      2.587100
  C      -7.483447     -4.198522      2.896562
  C      -7.585955     -5.239472      1.855493
  O      -8.237377     -5.118174      0.819986
  C      -2.000802     -6.080191      7.264872
  C      -0.704149     -6.569602      7.620885
  C      -0.242176     -6.548704      8.919842
  Cl      1.392490     -7.069125      9.163609
  C      -1.032006     -6.067288     10.013304
  C      -0.631733     -6.130811     11.421801
  O       0.268079     -6.828755     11.890960
  C      -1.319325     -5.224541     12.462372
  O      -1.865096     -4.163270     12.241604
  C      -2.292734     -5.573729      9.672134
  C      -2.775474     -5.540532      8.358368
  C      -4.102602     -5.091151      8.145808
  O      -4.624669     -4.860398      7.030389
  H      -4.112964     -2.344947      0.724802
  H      -6.600962      3.503809      3.216806
  H      -5.055281      0.697123      4.500973
  H      -4.609210     -0.786226      6.062224
  H      -6.543153     -3.282920      6.038612
  H      -9.996499      0.189530      1.236425
  H      -8.637257     -2.983202      1.609500
  H      -7.047341     -6.192662      2.024362
  H      -0.020122     -6.920114      6.852874
  H      -1.159923     -5.619242     13.496072
  H      -2.947290     -5.200980     10.459643
  H      -4.745927     -4.957754      9.035311
  N      -2.068625     -3.630938      5.137403
  N      -1.333999     -2.666789      4.967148
  H      -0.523950     -2.630793      5.612890
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.002485579927
  N      -3.726031     -3.480523      3.132305
  C      -3.306629     -4.238425      1.953190
  C      -2.611156     -5.510695      2.365911
  N      -3.389550     -6.167068      3.440080
  C      -4.712851     -6.645619      2.927513
  C      -5.723319     -6.507125      4.050431
  N      -5.740605     -5.135181      4.528871
  Mo     -3.657046     -4.525447      5.051801
  N      -2.489834     -6.157733      6.019755
  C      -1.696601     -6.894689      5.046904
  C      -2.648871     -7.341017      3.975870
  H      -1.232819     -7.787946      5.492835
  H      -0.882176     -6.266880      4.637346
  H      -3.382465     -8.020129      4.430841
  H      -2.146996     -7.872754      3.151582
  H      -6.717536     -6.870561      3.752871
  H      -5.411244     -7.152687      4.891610
  H      -5.008363     -6.028110      2.073627
  H      -4.605508     -7.682043      2.569253
  H      -2.601745     -3.648527      1.344568
  H      -4.171896     -4.458280      1.301829
  H      -1.610550     -5.292014      2.761607
  H      -2.507305     -6.187543      1.499551
  C      -4.125089     -2.218844      2.894166
  C      -4.272313     -1.717809      1.560687
  C      -4.730105     -0.447852      1.285548
  Cl     -4.831860     -0.008586     -0.384775
  C      -5.090123      0.475712      2.318936
  C      -5.721745      1.778001      2.102928
  O      -6.127620      2.233180      1.032919
  C      -5.900925      2.769257      3.267851
  O      -5.078828      2.992267      4.134400
  C      -4.897685      0.020099      3.620966
  C      -4.443674     -1.269338      3.940210
  C      -4.418623     -1.583713      5.315176
  O      -4.266197     -2.736550      5.817486
  C      -6.692752     -4.246716      4.144851
  C      -6.943542     -3.191312      5.079358
  C      -7.634877     -2.048035      4.765449
  Cl     -7.810081     -0.862088      6.026142
  C      -8.173190     -1.850041      3.459321
  C      -8.747638     -0.601911      2.970169
  O      -8.952271      0.429492      3.619679
  C      -9.035348     -0.406002      1.471524
  O      -8.315773     -0.777828      0.566664
  C      -8.111192     -2.965357      2.615397
  C      -7.457455     -4.169248      2.913172
  C      -7.565284     -5.194325      1.857222
  O      -8.173533     -5.036297      0.800719
  C      -2.008252     -6.090524      7.269423
  C      -0.718114     -6.598371      7.626739
  C      -0.254070     -6.579554      8.924657
  Cl      1.371740     -7.125766      9.168476
  C      -1.037078     -6.081649     10.016126
  C      -0.637055     -6.147362     11.424165
  O       0.257179     -6.852699     11.893880
  C      -1.311055     -5.230408     12.464761
  O      -1.836844     -4.159053     12.243948
  C      -2.289467     -5.569596      9.674230
  C      -2.773443     -5.533048      8.360159
  C      -4.091768     -5.060307      8.150011
  O      -4.616518     -4.822992      7.036581
  H      -4.051485     -2.349649      0.706116
  H      -6.818641      3.391158      3.132168
  H      -5.146504      0.677807      4.452783
  H      -4.643063     -0.776799      6.028243
  H      -6.544582     -3.318271      6.082188
  H      -9.896186      0.288041      1.308522
  H      -8.577355     -2.916374      1.631771
  H      -7.077426     -6.171795      2.040402
  H      -0.042379     -6.963270      6.858255
  H      -1.153809     -5.625313     13.498595
  H      -2.936804     -5.183070     10.460920
  H      -4.726850     -4.912698      9.043014
  N      -2.058427     -3.645751      5.142796
  N      -1.293691     -2.707724      4.956247
  H      -0.503783     -2.670654      5.626759
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.003188911781
  N      -3.719306     -3.475098      3.126357
  C      -3.269259     -4.226880      1.954436
  C      -2.587997     -5.502643      2.377847
  N      -3.386377     -6.150369      3.442456
  C      -4.709702     -6.615623      2.916905
  C      -5.719148     -6.500820      4.044355
  N      -5.733091     -5.138669      4.549137
  Mo     -3.651871     -4.520106      5.055647
  N      -2.497761     -6.163959      6.025727
  C      -1.711369     -6.909397      5.053703
  C      -2.665740     -7.336701      3.977787
  H      -1.263352     -7.810800      5.499071
  H      -0.885287     -6.292321      4.651786
  H      -3.411213     -8.004039      4.430602
  H      -2.172655     -7.873887      3.151984
  H      -6.714344     -6.857626      3.743031
  H      -5.403186     -7.162079      4.871510
  H      -5.006405     -5.978509      2.078375
  H      -4.600233     -7.643264      2.534434
  H      -2.549575     -3.633995      1.366449
  H      -4.117419     -4.444288      1.280636
  H      -1.592236     -5.289724      2.788274
  H      -2.476485     -6.183443      1.515701
  C      -4.128880     -2.218341      2.874824
  C      -4.261194     -1.724330      1.537181
  C      -4.740981     -0.464263      1.250473
  Cl     -4.820318     -0.032207     -0.422401
  C      -5.140980      0.452998      2.273699
  C      -5.809509      1.733323      2.043490
  O      -6.200173      2.178870      0.963310
  C      -6.062896      2.711345      3.204612
  O      -5.265364      2.978168      4.082147
  C      -4.949727      0.010600      3.580413
  C      -4.469187     -1.266041      3.911145
  C      -4.431747     -1.567284      5.288319
  O      -4.254810     -2.711169      5.796583
  C      -6.680263     -4.240484      4.170467
  C      -6.937534     -3.197942      5.116946
  C      -7.616818     -2.045596      4.807896
  Cl     -7.808960     -0.878609      6.083642
  C      -8.130167     -1.825013      3.494989
  C      -8.670688     -0.560782      3.010233
  O      -8.831856      0.478355      3.660643
  C      -8.975212     -0.354516      1.516608
  O      -8.274483     -0.738146      0.601749
  C      -8.069775     -2.931527      2.639703
  C      -7.432537     -4.144897      2.932078
  C      -7.544239     -5.160819      1.868100
  O      -8.110897     -4.976433      0.793243
  C      -2.014678     -6.101035      7.274548
  C      -0.732737     -6.630670      7.633367
  C      -0.267387     -6.618557      8.930294
  Cl      1.347532     -7.194669      9.174664
  C      -1.041647     -6.104493     10.021067
  C      -0.642994     -6.176239     11.428550
  O       0.240367     -6.895845     11.898334
  C      -1.305097     -5.253717     12.471427
  O      -1.807783     -4.170366     12.254294
  C      -2.283524     -5.569057      9.678209
  C      -2.768143     -5.525343      8.364169
  C      -4.075515     -5.023775      8.157283
  O      -4.601561     -4.779122      7.045741
  H      -4.010832     -2.352871      0.688883
  H      -7.007964      3.286016      3.054685
  H      -5.219568      0.668346      4.405710
  H      -4.659894     -0.756821      5.996706
  H      -6.549463     -3.337413      6.122671
  H      -9.825832      0.353813      1.364673
  H      -8.521230     -2.866468      1.650278
  H      -7.105011     -6.157731      2.067287
  H      -0.064640     -7.008572      6.864637
  H      -1.151730     -5.652738     13.503937
  H      -2.922716     -5.167757     10.464005
  H      -4.702310     -4.857446      9.052659
  N      -2.044544     -3.658651      5.149234
  N      -1.240436     -2.758261      4.944461
  H      -0.472006     -2.722105      5.640176
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.003768690050
  N      -3.715840     -3.463642      3.123162
  C      -3.242658     -4.209580      1.956352
  C      -2.571846     -5.488133      2.388517
  N      -3.384678     -6.127575      3.449196
  C      -4.710498     -6.581813      2.917397
  C      -5.713213     -6.489183      4.052198
  N      -5.726079     -5.134808      4.575762
  Mo     -3.644628     -4.508928      5.065139
  N      -2.504992     -6.167010      6.033522
  C      -1.723658     -6.917511      5.060254
  C      -2.679464     -7.326001      3.979513
  H      -1.290271     -7.826959      5.503368
  H      -0.887738     -6.308688      4.667129
  H      -3.434467     -7.985989      4.426379
  H      -2.193102     -7.862813      3.149657
  H      -6.709219     -6.841931      3.750452
  H      -5.390519     -7.161393      4.867558
  H      -5.012094     -5.928213      2.093719
  H      -4.600794     -7.601704      2.514660
  H      -2.512167     -3.613192      1.385499
  H      -4.076775     -4.425437      1.265182
  H      -1.579838     -5.279714      2.809791
  H      -2.455635     -6.174871      1.532078
  C      -4.139505     -2.212864      2.860284
  C      -4.267762     -1.726977      1.518903
  C      -4.766284     -0.475670      1.222893
  Cl     -4.842195     -0.054107     -0.452253
  C      -5.190657      0.439584      2.237328
  C      -5.887410      1.702905      1.997727
  O      -6.263396      2.144555      0.910334
  C      -6.201252      2.664236      3.156159
  O      -5.425244      2.965895      4.042327
  C      -4.995566      0.009826      3.547749
  C      -4.493816     -1.256188      3.887718
  C      -4.441817     -1.543788      5.266606
  O      -4.240894     -2.679594      5.778605
  C      -6.669644     -4.232208      4.194696
  C      -6.931719     -3.192733      5.142953
  C      -7.600654     -2.035492      4.829058
  Cl     -7.809551     -0.874232      6.106889
  C      -8.094391     -1.805772      3.509572
  C      -8.603100     -0.532149      3.017200
  O      -8.706487      0.522905      3.655041
  C      -8.935285     -0.332957      1.529679
  O      -8.261485     -0.738472      0.603697
  C      -8.032784     -2.910685      2.652534
  C      -7.408408     -4.128912      2.947513
  C      -7.517882     -5.139279      1.877647
  O      -8.045964     -4.935412      0.787077
  C      -2.019523     -6.114331      7.281873
  C      -0.747286     -6.668095      7.641384
  C      -0.281292     -6.667579      8.937499
  Cl      1.321368     -7.276391      9.181631
  C      -1.044417     -6.139481     10.030031
  C      -0.647880     -6.221752     11.436925
  O       0.225175     -6.956308     11.904047
  C      -1.291142     -5.290330     12.482450
  O      -1.765000     -4.192813     12.269668
  C      -2.274032     -5.576567      9.686718
  C      -2.758802     -5.521597      8.373211
  C      -4.052339     -4.984781      8.170529
  O      -4.576934     -4.730284      7.060367
  H      -4.000482     -2.354990      0.675673
  H      -7.167196      3.198627      2.995485
  H      -5.277457      0.670017      4.367050
  H      -4.668636     -0.730809      5.973110
  H      -6.553041     -3.334473      6.152041
  H      -9.773465      0.391457      1.387292
  H      -8.468576     -2.838388      1.656638
  H      -7.120731     -6.150968      2.088837
  H      -0.085494     -7.056744      6.872551
  H      -1.140785     -5.692910     13.513737
  H      -2.904016     -5.160237     10.472057
  H      -4.671320     -4.795367      9.066595
  N      -2.026419     -3.670529      5.158552
  N      -1.179497     -2.815905      4.934571
  H      -0.432007     -2.776329      5.653304
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.004217043666
  N      -3.712596     -3.444080      3.117381
  C      -3.225895     -4.184211      1.953021
  C      -2.555319     -5.460972      2.393431
  N      -3.373064     -6.095202      3.456637
  C      -4.701936     -6.544960      2.924013
  C      -5.696360     -6.472189      4.066632
  N      -5.715739     -5.122425      4.601109
  Mo     -3.632143     -4.488971      5.075379
  N      -2.506665     -6.161041      6.040033
  C      -1.722780     -6.909386      5.064368
  C      -2.673723     -7.302755      3.976747
  H      -1.299890     -7.825352      5.503538
  H      -0.880922     -6.301887      4.683699
  H      -3.433240     -7.964774      4.411252
  H      -2.186974     -7.829469      3.140863
  H      -6.691570     -6.825810      3.764239
  H      -5.365595     -7.149639      4.874024
  H      -5.010148     -5.880658      2.112032
  H      -4.591235     -7.559199      2.507649
  H      -2.491695     -3.582736      1.392431
  H      -4.050896     -4.402869      1.252384
  H      -1.566466     -5.250368      2.820697
  H      -2.434797     -6.156347      1.545288
  C      -4.151468     -2.198869      2.848064
  C      -4.296731     -1.724220      1.503612
  C      -4.797781     -0.474597      1.203155
  Cl     -4.910797     -0.072997     -0.473961
  C      -5.200316      0.455128      2.212682
  C      -5.885470      1.725470      1.971335
  O      -6.247377      2.172886      0.881345
  C      -6.198517      2.686800      3.127596
  O      -5.418066      2.994028      4.008579
  C      -4.996284      0.034064      3.524530
  C      -4.497731     -1.232370      3.869330
  C      -4.428841     -1.506406      5.249327
  O      -4.212214     -2.636045      5.763577
  C      -6.664064     -4.227153      4.213983
  C      -6.932050     -3.180491      5.152536
  C      -7.615523     -2.035012      4.827704
  Cl     -7.843199     -0.863399      6.091855
  C      -8.114409     -1.822580      3.506475
  C      -8.624574     -0.557314      2.997342
  O      -8.697289      0.512813      3.615679
  C      -9.002066     -0.384980      1.519321
  O      -8.348632     -0.792250      0.578987
  C      -8.041422     -2.935252      2.660658
  C      -7.404875     -4.142883      2.964857
  C      -7.509863     -5.161387      1.901099
  O      -8.019741     -4.959364      0.802003
  C      -2.021138     -6.125170      7.289111
  C      -0.761110     -6.705024      7.651703
  C      -0.298756     -6.720883      8.948340
  Cl      1.289518     -7.364901      9.195610
  C      -1.051395     -6.181194     10.043057
  C      -0.661755     -6.278011     11.450357
  O       0.190662     -7.037140     11.917101
  C      -1.295103     -5.346297     12.499560
  O      -1.740651     -4.235038     12.295082
  C      -2.266052     -5.587554      9.696846
  C      -2.746941     -5.517555      8.383122
  C      -4.023179     -4.940618      8.182259
  O      -4.542399     -4.676901      7.071557
  H      -4.043196     -2.361132      0.662991
  H      -7.163956      3.220695      2.968442
  H      -5.265064      0.704716      4.339464
  H      -4.640637     -0.689184      5.956104
  H      -6.547837     -3.304517      6.161893
  H      -9.854726      0.324318      1.389528
  H      -8.476758     -2.876487      1.663766
  H      -7.132120     -6.177677      2.124269
  H      -0.101857     -7.102219      6.885076
  H      -1.157671     -5.759892     13.527972
  H      -2.887950     -5.156342     10.480558
  H      -4.635637     -4.722038      9.075894
  N      -2.003027     -3.677743      5.165656
  N      -1.109682     -2.877370      4.925435
  H      -0.387180     -2.827692      5.668982
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.004597195614
  N      -3.700362     -3.438962      3.106950
  C      -3.190522     -4.178534      1.951441
  C      -2.526954     -5.454909      2.404309
  N      -3.360648     -6.080404      3.461132
  C      -4.690324     -6.512864      2.917915
  C      -5.679704     -6.460171      4.064690
  N      -5.706091     -5.114288      4.613498
  Mo     -3.618842     -4.474855      5.078950
  N      -2.505107     -6.155228      6.050296
  C      -1.726614     -6.913452      5.075471
  C      -2.678298     -7.297613      3.984823
  H      -1.316573     -7.834274      5.516627
  H      -0.876597     -6.316894      4.695835
  H      -3.448094     -7.952448      4.412033
  H      -2.191105     -7.828417      3.151658
  H      -6.673308     -6.818143      3.762711
  H      -5.343485     -7.142214      4.865351
  H      -4.995265     -5.827930      2.121739
  H      -4.585633     -7.518629      2.479559
  H      -2.446495     -3.575259      1.405318
  H      -4.001333     -4.398663      1.234413
  H      -1.541355     -5.249546      2.841600
  H      -2.401739     -6.154057      1.560138
  C      -4.160539     -2.205850      2.824239
  C      -4.312281     -1.746389      1.475112
  C      -4.830322     -0.507296      1.161960
  Cl     -4.958836     -0.126957     -0.519297
  C      -5.242231      0.430486      2.161206
  C      -5.933602      1.696243      1.907218
  O      -6.277125      2.142653      0.811347
  C      -6.278763      2.653390      3.057019
  O      -5.513261      2.982552      3.943289
  C      -5.036346      0.023265      3.477534
  C      -4.522559     -1.233455      3.833566
  C      -4.440317     -1.493082      5.215452
  O      -4.202991     -2.616485      5.737372
  C      -6.655562     -4.220137      4.230109
  C      -6.926107     -3.183116      5.178936
  C      -7.603265     -2.032077      4.864076
  Cl     -7.841011     -0.875641      6.139593
  C      -8.092840     -1.801271      3.542400
  C      -8.589744     -0.527240      3.042907
  O      -8.643961      0.540494      3.667828
  C      -8.998548     -0.342583      1.576216
  O      -8.357411     -0.725409      0.616778
  C      -8.016989     -2.904561      2.683454
  C      -7.387622     -4.118833      2.976627
  C      -7.494370     -5.121996      1.895662
  O      -7.969125     -4.888529      0.786913
  C      -2.018852     -6.128421      7.299599
  C      -0.765245     -6.721088      7.661831
  C      -0.307378     -6.749859      8.960055
  Cl      1.274616     -7.410872      9.207735
  C      -1.056083     -6.210864     10.057892
  C      -0.673070     -6.320546     11.466081
  O       0.173492     -7.086850     11.931448
  C      -1.302900     -5.389766     12.517329
  O      -1.739758     -4.274056     12.318191
  C      -2.262995     -5.600686      9.711185
  C      -2.738761     -5.518020      8.396925
  C      -4.002843     -4.915316      8.194077
  O      -4.510937     -4.635868      7.082027
  H      -4.052148     -2.388509      0.639869
  H      -7.259766      3.156943      2.891768
  H      -5.312782      0.699532      4.285141
  H      -4.655491     -0.673873      5.918650
  H      -6.548031     -3.321919      6.188591
  H      -9.864742      0.355454      1.473888
  H      -8.444607     -2.831899      1.684045
  H      -7.158628     -6.155107      2.110547
  H      -0.105210     -7.119583      6.896458
  H      -1.186900     -5.816536     13.543348
  H      -2.881759     -5.165722     10.495533
  H      -4.615638     -4.684788      9.084438
  N      -1.982416     -3.683069      5.169350
  N      -1.063689     -2.916994      4.914428
  H      -0.361847     -2.832667      5.673848
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.004991276200
  N      -3.676853     -3.423616      3.098259
  C      -3.160945     -4.163032      1.945257
  C      -2.497309     -5.436480      2.403263
  N      -3.334624     -6.057007      3.461731
  C      -4.670036     -6.479192      2.921171
  C      -5.655651     -6.429850      4.070869
  N      -5.680415     -5.084267      4.620764
  Mo     -3.583834     -4.456080      5.079908
  N      -2.495055     -6.149601      6.057545
  C      -1.713563     -6.907220      5.083575
  C      -2.656484     -7.281232      3.979997
  H      -1.312903     -7.834022      5.520240
  H      -0.857775     -6.311596      4.715600
  H      -3.428571     -7.943852      4.390433
  H      -2.158374     -7.801734      3.147122
  H      -6.649242     -6.789102      3.770398
  H      -5.319410     -7.112121      4.870619
  H      -4.973173     -5.786068      2.130871
  H      -4.573335     -7.482664      2.475811
  H      -2.419365     -3.555841      1.399781
  H      -3.968225     -4.390102      1.226332
  H      -1.512181     -5.229524      2.841126
  H      -2.371917     -6.141227      1.564232
  C      -4.165804     -2.205000      2.806360
  C      -4.348656     -1.769301      1.453416
  C      -4.885117     -0.541450      1.129039
  Cl     -5.062738     -0.197980     -0.556369
  C      -5.280798      0.412280      2.120671
  C      -5.966108      1.680201      1.858110
  O      -6.311356      2.119527      0.760349
  C      -6.302071      2.647949      3.001811
  O      -5.531961      2.980816      3.882548
  C      -5.051974      0.024855      3.439718
  C      -4.525579     -1.223014      3.805068
  C      -4.411369     -1.463832      5.188514
  O      -4.151320     -2.578424      5.720219
  C      -6.630338     -4.192800      4.240391
  C      -6.886684     -3.147368      5.184335
  C      -7.580341     -2.004871      4.876854
  Cl     -7.802377     -0.841657      6.149086
  C      -8.105233     -1.789615      3.566384
  C      -8.639407     -0.529083      3.072865
  O      -8.684960      0.544983      3.687793
  C      -9.102692     -0.364917      1.621668
  O      -8.476545     -0.723259      0.642849
  C      -8.022553     -2.892497      2.706777
  C      -7.371478     -4.098348      2.992423
  C      -7.461375     -5.095095      1.902180
  O      -7.929081     -4.856251      0.791253
  C      -2.019396     -6.139765      7.310871
  C      -0.784665     -6.764525      7.683033
  C      -0.341528     -6.811982      8.986195
  Cl      1.220516     -7.515652      9.245760
  C      -1.086271     -6.260285     10.080504
  C      -0.722889     -6.390655     11.492391
  O       0.104681     -7.175923     11.959899
  C      -1.332041     -5.443258     12.540997
  O      -1.737096     -4.315787     12.341557
  C      -2.271194     -5.614469      9.724247
  C      -2.731734     -5.514529      8.405258
  C      -3.970539     -4.867838      8.193247
  O      -4.463838     -4.576663      7.076164
  H      -4.102049     -2.424772      0.623911
  H      -7.284486      3.150689      2.838683
  H      -5.317748      0.712285      4.241789
  H      -4.615021     -0.636286      5.885241
  H      -6.488660     -3.276795      6.187481
  H      -9.997025      0.301118      1.546304
  H      -8.462122     -2.824874      1.711642
  H      -7.110804     -6.126597      2.106889
  H      -0.124415     -7.176444      6.925018
  H      -1.242370     -5.877718     13.566789
  H      -2.884690     -5.163688     10.503933
  H      -4.577551     -4.605786      9.078462
  N      -1.933998     -3.698265      5.161915
  N      -0.979891     -2.976836      4.901944
  H      -0.300569     -2.875647      5.678912
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.005308291195
  N      -3.649837     -3.411501      3.082693
  C      -3.117617     -4.150833      1.937173
  C      -2.460687     -5.423554      2.403897
  N      -3.306427     -6.037430      3.458767
  C      -4.645563     -6.447419      2.918418
  C      -5.630978     -6.403316      4.070546
  N      -5.655644     -5.058466      4.625439
  Mo     -3.551526     -4.435778      5.073409
  N      -2.482178     -6.138843      6.062626
  C      -1.704197     -6.902927      5.090594
  C      -2.640301     -7.267269      3.979182
  H      -1.314625     -7.834800      5.526000
  H      -0.841129     -6.314854      4.727402
  H      -3.418152     -7.929681      4.379108
  H      -2.135329     -7.787298      3.150312
  H      -6.624464     -6.765212      3.771441
  H      -5.293682     -7.086901      4.868545
  H      -4.945550     -5.742556      2.137832
  H      -4.555608     -7.446205      2.460850
  H      -2.372302     -3.541339      1.398904
  H      -3.914529     -4.381780      1.208287
  H      -1.476499     -5.219412      2.845101
  H      -2.334131     -6.131033      1.567270
  C      -4.164177     -2.206741      2.779557
  C      -4.364704     -1.789103      1.423508
  C      -4.920262     -0.572570      1.089058
  Cl     -5.130112     -0.258550     -0.598940
  C      -5.314581      0.389705      2.073798
  C      -6.002011      1.653915      1.801158
  O      -6.338027      2.090470      0.699729
  C      -6.345637      2.627157      2.939281
  O      -5.578172      2.972937      3.817018
  C      -5.066843      0.020711      3.394880
  C      -4.524105     -1.216460      3.768900
  C      -4.378672     -1.438747      5.152889
  O      -4.097601     -2.542886      5.695918
  C      -6.609024     -4.167774      4.255113
  C      -6.855887     -3.122430      5.202340
  C      -7.564052     -1.985632      4.908071
  Cl     -7.761508     -0.819244      6.181819
  C      -8.115598     -1.776805      3.607680
  C      -8.675757     -0.523836      3.124253
  O      -8.707780      0.555593      3.730263
  C      -9.181224     -0.370862      1.686391
  O      -8.566923     -0.705956      0.692151
  C      -8.036057     -2.877174      2.744491
  C      -7.367482     -4.077050      3.019006
  C      -7.456703     -5.071364      1.926463
  O      -7.924277     -4.829884      0.815935
  C      -2.016057     -6.142033      7.318838
  C      -0.795585     -6.790864      7.698050
  C      -0.366722     -6.854447      9.005554
  Cl      1.179913     -7.589327      9.274257
  C      -1.111344     -6.295223     10.096270
  C      -0.765072     -6.441757     11.511098
  O       0.029262     -7.256305     11.985486
  C      -1.385408     -5.504061     12.562852
  O      -1.773496     -4.369001     12.374440
  C      -2.278984     -5.623390      9.733406
  C      -2.724817     -5.507230      8.409971
  C      -3.940502     -4.823957      8.188873
  O      -4.418257     -4.515807      7.068286
  H      -4.118663     -2.451589      0.599338
  H      -7.331823      3.121694      2.770911
  H      -5.328309      0.715713      4.192158
  H      -4.573710     -0.601728      5.840701
  H      -6.435800     -3.249189      6.197290
  H     -10.097028      0.268272      1.635866
  H      -8.489309     -2.810069      1.755417
  H      -7.103872     -6.102607      2.128683
  H      -0.134780     -7.211031      6.945330
  H      -1.334803     -5.961826     13.581393
  H      -2.888943     -5.162929     10.510217
  H      -4.543287     -4.542165      9.070634
  N      -1.891239     -3.707576      5.146209
  N      -0.909900     -3.026944      4.877069
  H      -0.247877     -2.904165      5.665133
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.005626112944
  N      -3.619860     -3.400150      3.065276
  C      -3.074481     -4.139740      1.926178
  C      -2.423451     -5.412252      2.400353
  N      -3.275211     -6.019865      3.453194
  C      -4.618048     -6.419194      2.916239
  C      -5.602288     -6.375829      4.070676
  N      -5.626654     -5.031203      4.625708
  Mo     -3.514565     -4.414591      5.062699
  N      -2.467665     -6.127384      6.065736
  C      -1.690691     -6.894950      5.097081
  C      -2.618778     -7.252199      3.977014
  H      -1.309009     -7.830344      5.531359
  H      -0.822181     -6.311474      4.739336
  H      -3.400961     -7.915611      4.366515
  H      -2.105322     -7.771224      3.152762
  H      -6.595746     -6.741065      3.774752
  H      -5.262094     -7.058603      4.868447
  H      -4.916321     -5.705240      2.143847
  H      -4.535113     -7.414522      2.449719
  H      -2.328568     -3.527070      1.392198
  H      -3.863193     -4.376255      1.190659
  H      -1.439626     -5.210306      2.843216
  H      -2.296382     -6.122259      1.565748
  C      -4.159423     -2.208494      2.751499
  C      -4.378901     -1.808148      1.393239
  C      -4.954708     -0.602686      1.051047
  Cl     -5.197252     -0.317960     -0.637934
  C      -5.345803      0.367156      2.029864
  C      -6.034844      1.627371      1.747994
  O      -6.368371      2.058386      0.643617
  C      -6.387137      2.606553      2.880372
  O      -5.623053      2.965337      3.755603
  C      -5.078494      0.015926      3.351908
  C      -4.518778     -1.210721      3.733159
  C      -4.342095     -1.414919      5.116369
  O      -4.038124     -2.507167      5.669075
  C      -6.585448     -4.141606      4.266453
  C      -6.821507     -3.096478      5.217875
  C      -7.544723     -1.965582      4.938072
  Cl     -7.714049     -0.795516      6.213066
  C      -8.124459     -1.763889      3.649087
  C      -8.713082     -0.519001      3.178388
  O      -8.753430      0.560136      3.783830
  C      -9.266341     -0.376969      1.756461
  O      -8.667029     -0.685605      0.745002
  C      -8.052192     -2.861834      2.783234
  C      -7.364661     -4.054482      3.044312
  C      -7.452135     -5.043334      1.948327
  O      -7.935478     -4.802177      0.844500
  C      -2.017011     -6.145905      7.326841
  C      -0.811920     -6.818516      7.717148
  C      -0.404654     -6.901315      9.030377
  Cl      1.124295     -7.667243      9.315023
  C      -1.155610     -6.337720     10.114591
  C      -0.833076     -6.506369     11.532789
  O      -0.052262     -7.333316     12.008043
  C      -1.436966     -5.556317     12.584488
  O      -1.784984     -4.407716     12.400313
  C      -2.302558     -5.637865      9.741774
  C      -2.727122     -5.502728      8.412199
  C      -3.915451     -4.780168      8.178564
  O      -4.370579     -4.450826      7.053598
  H      -4.132402     -2.475852      0.573610
  H      -7.375530      3.094390      2.705353
  H      -5.335061      0.717518      4.145217
  H      -4.526824     -0.567792      5.795022
  H      -6.377651     -3.220234      6.203322
  H     -10.209378      0.223013      1.734823
  H      -8.521932     -2.795796      1.802177
  H      -7.083794     -6.069507      2.143034
  H      -0.147038     -7.244245      6.971457
  H      -1.399234     -6.017675     13.601906
  H      -2.911762     -5.168819     10.513809
  H      -4.516545     -4.480129      9.055205
  N      -1.842365     -3.716318      5.123986
  N      -0.835039     -3.076418      4.851785
  H      -0.184370     -2.949627      5.648668
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.005948483228
  N      -3.594182     -3.390140      3.045056
  C      -3.038383     -4.132009      1.912725
  C      -2.392712     -5.404701      2.395031
  N      -3.248035     -6.002907      3.449579
  C      -4.595486     -6.391210      2.919586
  C      -5.572859     -6.346962      4.079863
  N      -5.594798     -5.003223      4.634429
  Mo     -3.475133     -4.387778      5.050400
  N      -2.446723     -6.108701      6.067662
  C      -1.673342     -6.881145      5.102115
  C      -2.599860     -7.235136      3.979245
  H      -1.296842     -7.818000      5.537544
  H      -0.800916     -6.303363      4.744567
  H      -3.385768     -7.895716      4.365443
  H      -2.083545     -7.757790      3.158816
  H      -6.567480     -6.714576      3.791327
  H      -5.225410     -7.028921      4.875781
  H      -4.895777     -5.668544      2.156111
  H      -4.521351     -7.383340      2.444811
  H      -2.292667     -3.517681      1.380516
  H      -3.821210     -4.374809      1.173267
  H      -1.407745     -5.206259      2.836704
  H      -2.268279     -6.118404      1.562957
  C      -4.158320     -2.212344      2.719059
  C      -4.395169     -1.831045      1.358632
  C      -4.993757     -0.638004      1.008727
  Cl     -5.261723     -0.381370     -0.680496
  C      -5.386988      0.337938      1.980289
  C      -6.084108      1.590091      1.687895
  O      -6.413910      2.014147      0.579441
  C      -6.449880      2.575939      2.811853
  O      -5.691252      2.952610      3.684308
  C      -5.102536      0.006066      3.303634
  C      -4.521356     -1.207885      3.693129
  C      -4.312892     -1.390887      5.074799
  O      -3.978943     -2.468264      5.636196
  C      -6.560130     -4.114806      4.287426
  C      -6.783310     -3.069452      5.243014
  C      -7.518445     -1.942961      4.976392
  Cl     -7.666565     -0.772271      6.253749
  C      -8.127344     -1.748704      3.700017
  C      -8.744048     -0.511737      3.244439
  O      -8.780174      0.569041      3.846688
  C      -9.319031     -0.372763      1.829682
  O      -8.718592     -0.652423      0.810675
  C      -8.060363     -2.842627      2.830062
  C      -7.355597     -4.028076      3.076494
  C      -7.435839     -5.008602      1.974283
  O      -7.942857     -4.770676      0.880496
  C      -2.011546     -6.143220      7.333317
  C      -0.820208     -6.836874      7.733202
  C      -0.436104     -6.942102      9.051286
  Cl      1.076374     -7.734671      9.351058
  C      -1.196703     -6.379173     10.129623
  C      -0.899527     -6.570868     11.550333
  O      -0.144489     -7.419906     12.028309
  C      -1.507679     -5.626795     12.605885
  O      -1.826320     -4.467721     12.434182
  C      -2.323920     -5.653514      9.748514
  C      -2.725537     -5.495771      8.413659
  C      -3.885589     -4.734212      8.169236
  O      -4.313763     -4.378196      7.041537
  H      -4.142940     -2.502563      0.543911
  H      -7.441382      3.053487      2.628431
  H      -5.358102      0.713791      4.091824
  H      -4.489048     -0.533585      5.743703
  H      -6.318670     -3.191307      6.219168
  H     -10.278437      0.200452      1.822304
  H      -8.545737     -2.777288      1.857014
  H      -7.038352     -6.025249      2.156467
  H      -0.150137     -7.263034      6.992461
  H      -1.493790     -6.103676     13.616501
  H      -2.934240     -5.180138     10.516935
  H      -4.487357     -4.420774      9.040602
  N      -1.790150     -3.716749      5.092521
  N      -0.759492     -3.117943      4.815774
  H      -0.110071     -3.002550      5.616081
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.006310362448
  N      -3.572597     -3.382309      3.019346
  C      -3.009737     -4.128932      1.894297
  C      -2.364783     -5.399332      2.386358
  N      -3.219387     -5.987780      3.446244
  C      -4.570315     -6.370453      2.923701
  C      -5.542335     -6.321156      4.088445
  N      -5.560565     -4.978721      4.642768
  Mo     -3.436131     -4.357900      5.034555
  N      -2.422284     -6.085926      6.066728
  C      -1.648010     -6.860691      5.104692
  C      -2.574262     -7.216682      3.982624
  H      -1.272944     -7.796808      5.542885
  H      -0.773782     -6.286187      4.746789
  H      -3.361822     -7.873755      4.370713
  H      -2.058347     -7.744465      3.164878
  H      -6.538624     -6.688190      3.805113
  H      -5.189920     -7.003161      4.882684
  H      -4.872766     -5.644923      2.163814
  H      -4.502636     -7.362254      2.447257
  H      -2.264303     -3.515949      1.360488
  H      -3.789422     -4.379134      1.154198
  H      -1.378171     -5.201928      2.824550
  H      -2.243457     -6.118362      1.558281
  C      -4.153422     -2.215512      2.681694
  C      -4.404933     -1.852611      1.319333
  C      -5.022387     -0.670309      0.962893
  Cl     -5.312268     -0.437553     -0.725165
  C      -5.418363      0.311403      1.926728
  C      -6.127276      1.554114      1.625326
  O      -6.456697      1.969602      0.513228
  C      -6.502639      2.547150      2.739849
  O      -5.747510      2.940450      3.608125
  C      -5.119933     -0.001891      3.251220
  C      -4.519499     -1.204282      3.648822
  C      -4.284599     -1.364728      5.028755
  O      -3.921463     -2.426041      5.598621
  C      -6.534189     -4.091879      4.312338
  C      -6.744307     -3.049723      5.274926
  C      -7.492766     -1.928140      5.024213
  Cl     -7.623471     -0.759718      6.305263
  C      -8.129371     -1.737202      3.761194
  C      -8.767783     -0.505338      3.322033
  O      -8.816161      0.569942      3.932545
  C      -9.360647     -0.364527      1.914015
  O      -8.759429     -0.618085      0.888525
  C      -8.068839     -2.825877      2.885518
  C      -7.348456     -4.004448      3.113690
  C      -7.429868     -4.978272      2.006361
  O      -7.972983     -4.748511      0.928524
  C      -2.005034     -6.136167      7.337384
  C      -0.826683     -6.847420      7.748191
  C      -0.468581     -6.976566      9.070557
  Cl      1.028205     -7.790833      9.388698
  C      -1.243541     -6.419041     10.142151
  C      -0.975307     -6.635181     11.564811
  O      -0.242603     -7.502794     12.044236
  C      -1.588062     -5.697684     12.623730
  O      -1.881247     -4.530105     12.464262
  C      -2.352047     -5.670617      9.751576
  C      -2.727432     -5.488600      8.411997
  C      -3.861202     -4.692100      8.157259
  O      -4.259244     -4.307592      7.028259
  H      -4.148319     -2.528702      0.509836
  H      -7.497050      3.015274      2.550524
  H      -5.375012      0.712564      4.033325
  H      -4.457161     -0.498255      5.687576
  H      -6.259056     -3.170270      6.240761
  H     -10.333352      0.185062      1.918671
  H      -8.573080     -2.761384      1.922127
  H      -6.996420     -5.982667      2.171565
  H      -0.149087     -7.269040      7.011645
  H      -1.597621     -6.189538     13.626901
  H      -2.967432     -5.196944     10.515645
  H      -4.467767     -4.370116      9.022171
  N      -1.743563     -3.709155      5.056216
  N      -0.694788     -3.143193      4.777434
  H      -0.046201     -3.042482      5.580762
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.006731831056
  N      -3.562717     -3.372943      2.995449
  C      -2.998715     -4.126027      1.875062
  C      -2.349997     -5.392898      2.374290
  N      -3.197373     -5.972562      3.445811
  C      -4.552911     -6.357233      2.937713
  C      -5.513944     -6.300316      4.111102
  N      -5.526399     -4.957200      4.660336
  Mo     -3.399013     -4.324262      5.020186
  N      -2.395816     -6.059637      6.063340
  C      -1.618312     -6.833734      5.102666
  C      -2.548507     -7.196802      3.986304
  H      -1.239741     -7.767310      5.542940
  H      -0.745900     -6.258642      4.742143
  H      -3.334527     -7.850794      4.382561
  H      -2.037858     -7.729784      3.168437
  H      -6.513151     -6.666298      3.836919
  H      -5.153757     -6.980628      4.903658
  H      -4.863100     -5.636565      2.176316
  H      -4.490288     -7.352251      2.467319
  H      -2.254422     -3.516668      1.335751
  H      -3.779847     -4.383081      1.139031
  H      -1.360254     -5.194020      2.804578
  H      -2.234415     -6.118610      1.551256
  C      -4.152645     -2.213308      2.647972
  C      -4.414255     -1.865923      1.283829
  C      -5.042731     -0.690856      0.921361
  Cl     -5.346273     -0.475357     -0.765809
  C      -5.439558      0.297400      1.877338
  C      -6.155814      1.534539      1.569016
  O      -6.486981      1.942246      0.454367
  C      -6.540682      2.531629      2.675031
  O      -5.789111      2.939110      3.540220
  C      -5.133998     -0.001714      3.203378
  C      -4.520888     -1.195887      3.608180
  C      -4.265546     -1.335582      4.986281
  O      -3.872344     -2.382367      5.561453
  C      -6.508698     -4.074175      4.342216
  C      -6.706832     -3.030735      5.305764
  C      -7.468691     -1.915726      5.064932
  Cl     -7.585666     -0.743391      6.343090
  C      -8.130499     -1.732353      3.813803
  C      -8.786022     -0.506706      3.382096
  O      -8.847501      0.565428      3.996472
  C      -9.383117     -0.369302      1.975506
  O      -8.775612     -0.607790      0.949684
  C      -8.075922     -2.821641      2.939142
  C      -7.342379     -3.993175      3.154990
  C      -7.431638     -4.967124      2.047797
  O      -8.019507     -4.753659      0.990467
  C      -1.995487     -6.125936      7.339028
  C      -0.828455     -6.851282      7.759263
  C      -0.495509     -7.006939      9.084537
  Cl      0.988005     -7.837840      9.418438
  C      -1.286214     -6.460708     10.151169
  C      -1.047540     -6.703835     11.574389
  O      -0.334566     -7.588760     12.052265
  C      -1.667345     -5.777593     12.638357
  O      -1.941462     -4.603329     12.493816
  C      -2.377825     -5.691822      9.752848
  C      -2.727062     -5.483019      8.410342
  C      -3.835711     -4.653318      8.149606
  O      -4.201759     -4.237816      7.021535
  H      -4.155683     -2.547110      0.479341
  H      -7.539200      2.989465      2.482697
  H      -5.387368      0.720185      3.979096
  H      -4.440587     -0.463918      5.637897
  H      -6.202974     -3.143323      6.262425
  H     -10.363316      0.166182      1.979834
  H      -8.599370     -2.764783      1.985217
  H      -6.956838     -5.955694      2.193132
  H      -0.141668     -7.262599      7.025311
  H      -1.701604     -6.286939     13.632081
  H      -3.000108     -5.221403     10.513410
  H      -4.448636     -4.326071      9.008118
  N      -1.701290     -3.692199      5.017715
  N      -0.639460     -3.150242      4.739260
  H       0.008361     -3.065203      5.545380
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.007144163942
  N      -3.553556     -3.364137      2.971743
  C      -2.991548     -4.124413      1.854337
  C      -2.335363     -5.385187      2.359591
  N      -3.172756     -5.956697      3.444504
  C      -4.533281     -6.345984      2.952026
  C      -5.484151     -6.280550      4.134255
  N      -5.488370     -4.935216      4.677787
  Mo     -3.359445     -4.291552      5.004031
  N      -2.369053     -6.033555      6.058249
  C      -1.585121     -6.805749      5.099146
  C      -2.516935     -7.177426      3.986688
  H      -1.201961     -7.736639      5.540558
  H      -0.715981     -6.226743      4.737963
  H      -3.299263     -7.831147      4.390795
  H      -2.010423     -7.712942      3.168097
  H      -6.486570     -6.643770      3.868003
  H      -5.119374     -6.959469      4.925717
  H      -4.850676     -5.633663      2.185420
  H      -4.474942     -7.345922      2.491650
  H      -2.250024     -3.518827      1.306878
  H      -3.776524     -4.389443      1.125345
  H      -1.342659     -5.180886      2.780545
  H      -2.225172     -6.119070      1.543322
  C      -4.151059     -2.210648      2.616291
  C      -4.425563     -1.879549      1.250639
  C      -5.066765     -0.713572      0.881749
  Cl     -5.388183     -0.516978     -0.804518
  C      -5.464585      0.281389      1.829910
  C      -6.193508      1.510551      1.516167
  O      -6.527294      1.910269      0.399408
  C      -6.579046      2.513414      2.614521
  O      -5.824365      2.936165      3.469990
  C      -5.146564     -0.001546      3.156722
  C      -4.519710     -1.186380      3.568097
  C      -4.241731     -1.304108      4.943838
  O      -3.818463     -2.337108      5.523397
  C      -6.477120     -4.054641      4.372580
  C      -6.661739     -3.007812      5.334454
  C      -7.437404     -1.899732      5.104477
  Cl     -7.539755     -0.722474      6.378929
  C      -8.125460     -1.724425      3.866423
  C      -8.798023     -0.505684      3.441041
  O      -8.873067      0.563525      4.058809
  C      -9.404723     -0.376253      2.038680
  O      -8.797459     -0.604811      1.009818
  C      -8.078205     -2.816838      2.994935
  C      -7.332746     -3.982565      3.199304
  C      -7.436698     -4.958381      2.093734
  O      -8.070929     -4.761052      1.060375
  C      -1.986817     -6.114818      7.338990
  C      -0.833833     -6.855965      7.770190
  C      -0.527190     -7.037800      9.098207
  Cl      0.941143     -7.888274      9.447360
  C      -1.332856     -6.501300     10.159049
  C      -1.127303     -6.772248     11.582274
  O      -0.436662     -7.675800     12.058438
  C      -1.754837     -5.856443     12.649840
  O      -2.011332     -4.676435     12.520280
  C      -2.405113     -5.710091      9.751746
  C      -2.726400     -5.475258      8.406684
  C      -3.807343     -4.611413      8.140347
  O      -4.141351     -4.168624      7.012849
  H      -4.168470     -2.567391      0.451353
  H      -7.583408      2.960741      2.426353
  H      -5.397975      0.728119      3.925884
  H      -4.419495     -0.428082      5.588490
  H      -6.138918     -3.110196      6.281867
  H     -10.392622      0.144903      2.045784
  H      -8.621839     -2.769388      2.051346
  H      -6.923342     -5.931175      2.214282
  H      -0.137356     -7.259347      7.040890
  H      -1.820847     -6.383935     13.632580
  H      -3.034093     -5.240744     10.507641
  H      -4.424100     -4.274887      8.992499
  N      -1.657097     -3.676570      4.979488
  N      -0.583380     -3.156392      4.703765
  H       0.061599     -3.083484      5.513358
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.007523101814
  N      -3.543719     -3.354304      2.948278
  C      -2.983550     -4.121920      1.834259
  C      -2.319764     -5.375869      2.345109
  N      -3.147211     -5.940086      3.442277
  C      -4.512315     -6.334502      2.965407
  C      -5.453031     -6.261218      4.156312
  N      -5.448417     -4.912546      4.693834
  Mo     -3.318977     -4.260474      4.987401
  N      -2.342495     -6.007463      6.052864
  C      -1.553585     -6.779464      5.095782
  C      -2.485472     -7.158378      3.985980
  H      -1.167856     -7.708496      5.538182
  H      -0.687158     -6.197452      4.733871
  H      -3.264448     -7.812681      4.396044
  H      -1.981180     -7.695467      3.167415
  H      -6.458708     -6.622039      3.898659
  H      -5.084405     -6.938234      4.947310
  H      -4.836322     -5.630902      2.193600
  H      -4.457826     -7.339306      2.515220
  H      -2.245181     -3.519786      1.278375
  H      -3.771827     -4.394770      1.111950
  H      -1.324287     -5.165713      2.756662
  H      -2.214591     -6.117008      1.534869
  C      -4.150139     -2.208063      2.585825
  C      -4.438712     -1.892734      1.218995
  C      -5.090630     -0.735349      0.843677
  Cl     -5.432326     -0.558424     -0.841552
  C      -5.485412      0.268282      1.784085
  C      -6.220520      1.492807      1.463713
  O      -6.566101      1.879550      0.346251
  C      -6.614805      2.497103      2.556323
  O      -5.862153      2.935056      3.405991
  C      -5.155144      0.000293      3.111264
  C      -4.516973     -1.176102      3.528565
  C      -4.214851     -1.273729      4.901016
  O      -3.762797     -2.293733      5.483694
  C      -6.442904     -4.034181      4.402123
  C      -6.614664     -2.982720      5.360644
  C      -7.405085     -1.882521      5.142719
  Cl     -7.488178     -0.697929      6.411792
  C      -8.121534     -1.717824      3.919453
  C      -8.815458     -0.508646      3.500998
  O      -8.901606      0.559317      4.119313
  C      -9.431522     -0.389733      2.102843
  O      -8.825366     -0.607426      1.070546
  C      -8.081569     -2.814602      3.052433
  C      -7.322207     -3.973585      3.245738
  C      -7.442391     -4.952621      2.143544
  O      -8.123510     -4.773052      1.137141
  C      -1.979085     -6.103899      7.338084
  C      -0.841950     -6.862471      7.780349
  C      -0.563081     -7.069599      9.110876
  Cl      0.888241     -7.942836      9.474599
  C      -1.382441     -6.540515     10.164999
  C      -1.211124     -6.839106     11.587310
  O      -0.544620     -7.761832     12.061095
  C      -1.846080     -5.931923     12.657435
  O      -2.081942     -4.746087     12.543649
  C      -2.433251     -5.725349      9.749041
  C      -2.725588     -5.465941      8.401769
  C      -3.775464     -4.566783      8.129635
  O      -4.077503     -4.099565      7.002409
  H      -4.185147     -2.587623      0.424592
  H      -7.628678      2.926004      2.373702
  H      -5.402388      0.737900      3.874288
  H      -4.393372     -0.393642      5.539413
  H      -6.071246     -3.073408      6.297779
  H     -10.427711      0.115736      2.114105
  H      -8.645588     -2.777641      2.120138
  H      -6.892333     -5.908311      2.236461
  H      -0.135637     -7.261225      7.057989
  H      -1.944840     -6.476150     13.628481
  H      -3.067819     -5.255041     10.499777
  H      -4.392921     -4.217599      8.976081
  N      -1.611849     -3.662822      4.943090
  N      -0.527395     -3.163201      4.671131
  H       0.115146     -3.098957      5.483182
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.007894733048
  N      -3.531407     -3.346027      2.925453
  C      -2.973941     -4.119333      1.813491
  C      -2.302198     -5.366275      2.328990
  N      -3.119463     -5.923212      3.438186
  C      -4.489008     -6.322855      2.977597
  C      -5.419212     -6.241839      4.176551
  N      -5.405948     -4.889639      4.707022
  Mo     -3.276768     -4.231154      4.969440
  N      -2.315855     -5.981126      6.046140
  C      -1.521068     -6.752019      5.092091
  C      -2.451355     -7.138888      3.983036
  H      -1.131478     -7.678713      5.535202
  H      -0.658638     -6.164894      4.729581
  H      -3.226182     -7.795964      4.396893
  H      -1.946213     -7.675428      3.165063
  H      -6.427873     -6.600942      3.927976
  H      -5.046843     -6.916056      4.967850
  H      -4.819947     -5.628132      2.200901
  H      -4.438343     -7.332420      2.537699
  H      -2.241136     -3.518335      1.248734
  H      -3.765598     -4.400315      1.098272
  H      -1.304237     -5.148781      2.730753
  H      -2.201294     -6.114684      1.524998
  C      -4.150037     -2.208191      2.557603
  C      -4.457053     -1.910234      1.190385
  C      -5.122560     -0.763270      0.808924
  Cl     -5.489288     -0.609882     -0.874367
  C      -5.512972      0.249462      1.741795
  C      -6.255337      1.468134      1.414430
  O      -6.601021      1.847516      0.294765
  C      -6.636872      2.484803      2.499807
  O      -5.872203      2.937076      3.331012
  C      -5.165705     -0.001561      3.068125
  C      -4.514809     -1.168502      3.491043
  C      -4.186321     -1.245963      4.858999
  O      -3.706171     -2.252814      5.443660
  C      -6.406014     -4.013576      4.429601
  C      -6.565137     -2.957171      5.384507
  C      -7.371297     -1.865639      5.181004
  Cl     -7.431421     -0.673401      6.444580
  C      -8.118490     -1.713320      3.974759
  C      -8.838847     -0.515924      3.567010
  O      -8.942609      0.547672      4.189899
  C      -9.466572     -0.406516      2.174034
  O      -8.863025     -0.608677      1.136860
  C      -8.085226     -2.813726      3.111649
  C      -7.309668     -3.964878      3.292203
  C      -7.443440     -4.944842      2.191831
  O      -8.171774     -4.784175      1.215638
  C      -1.972717     -6.092928      7.335596
  C      -0.853403     -6.870555      7.789873
  C      -0.604554     -7.101651      9.122714
  Cl      0.827520     -8.000557      9.501265
  C      -1.437005     -6.576873     10.168476
  C      -1.301955     -6.902620     11.588967
  O      -0.662303     -7.845396     12.059998
  C      -1.944246     -6.002395     12.660627
  O      -2.156477     -4.810779     12.563096
  C      -2.463649     -5.736170      9.743582
  C      -2.725429     -5.454073      8.394266
  C      -3.740840     -4.519005      8.115938
  O      -4.010824     -4.030903      6.988593
  H      -4.208326     -2.612584      0.400874
  H      -7.653869      2.910581      2.325208
  H      -5.407579      0.743985      3.825306
  H      -4.363186     -0.361012      5.490701
  H      -5.999964     -3.035854      6.310109
  H     -10.473839      0.076802      2.193033
  H      -8.669806     -2.786879      2.191691
  H      -6.855278     -5.880070      2.252050
  H      -0.136670     -7.268421      7.077377
  H      -2.077066     -6.561709     13.619198
  H      -3.102870     -5.262283     10.488189
  H      -4.355519     -4.153888      8.957545
  N      -1.564494     -3.649913      4.909129
  N      -0.470279     -3.168845      4.643637
  H       0.167952     -3.111905      5.459542
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.008294791289
  N      -3.511211     -3.340030      2.900494
  C      -2.955051     -4.118163      1.791441
  C      -2.278218     -5.358901      2.313008
  N      -3.088281     -5.906274      3.432047
  C      -4.461890     -6.307508      2.984741
  C      -5.384188     -6.218513      4.189341
  N      -5.361047     -4.863975      4.715734
  Mo     -3.232619     -4.203496      4.949690
  N      -2.289617     -5.954897      6.038917
  C      -1.490256     -6.727135      5.089452
  C      -2.417337     -7.119898      3.979553
  H      -1.099073     -7.651815      5.534473
  H      -0.630406     -6.137023      4.726206
  H      -3.189736     -7.778884      4.394979
  H      -1.909530     -7.656134      3.163366
  H      -6.396040     -6.573477      3.947503
  H      -5.011022     -6.891718      4.980917
  H      -4.796959     -5.618855      2.204653
  H      -4.415859     -7.320678      2.552665
  H      -2.227610     -3.517393      1.219320
  H      -3.748308     -4.406693      1.081212
  H      -1.278222     -5.135522      2.706448
  H      -2.181135     -6.114641      1.515482
  C      -4.144734     -2.212150      2.527610
  C      -4.472851     -1.933253      1.160778
  C      -5.155268     -0.798577      0.773830
  Cl     -5.551672     -0.672807     -0.905836
  C      -5.541871      0.222797      1.699205
  C      -6.295191      1.432478      1.364498
  O      -6.652135      1.797935      0.244050
  C      -6.678440      2.455099      2.444353
  O      -5.910209      2.925066      3.262132
  C      -5.174283     -0.009023      3.023480
  C      -4.507308     -1.164399      3.451868
  C      -4.149907     -1.220199      4.813944
  O      -3.644256     -2.213141      5.401138
  C      -6.365625     -3.988241      4.455262
  C      -6.511529     -2.928861      5.408993
  C      -7.333005     -1.845553      5.223456
  Cl     -7.367121     -0.647929      6.483501
  C      -8.112161     -1.704544      4.036441
  C      -8.862186     -0.519563      3.646245
  O      -8.985438      0.535809      4.279174
  C      -9.501600     -0.412530      2.258506
  O      -8.900277     -0.590559      1.215632
  C      -8.085777     -2.805652      3.174038
  C      -7.293472     -3.948698      3.338498
  C      -7.439203     -4.927599      2.238892
  O      -8.211950     -4.786443      1.294213
  C      -1.968609     -6.083034      7.332094
  C      -0.870578     -6.883444      7.799291
  C      -0.654560     -7.136555      9.134156
  Cl      0.753746     -8.066670      9.528834
  C      -1.498411     -6.610474     10.169658
  C      -1.401434     -6.961106     11.587569
  O      -0.792708     -7.924930     12.056425
  C      -2.048501     -6.063687     12.659198
  O      -2.231894     -4.866266     12.577061
  C      -2.496969     -5.741722      9.735407
  C      -2.726285     -5.439287      8.384160
  C      -3.703647     -4.467894      8.098595
  O      -3.941625     -3.962145      6.970917
  H      -4.228822     -2.643110      0.376423
  H      -7.703564      2.865223      2.278426
  H      -5.411549      0.743753      3.775055
  H      -4.322026     -0.328287      5.437078
  H      -5.923997     -2.998090      6.321631
  H     -10.520300      0.045969      2.288823
  H      -8.691164     -2.786195      2.267575
  H      -6.814935     -5.840545      2.264872
  H      -0.144230     -7.286033      7.099371
  H      -2.216568     -6.634868     13.605283
  H      -3.139224     -5.260716     10.472795
  H      -4.312537     -4.084312      8.936062
  N      -1.514897     -3.639442      4.878710
  N      -0.411304     -3.177859      4.619042
  H       0.223131     -3.126647      5.438197
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.008740329798
  N      -3.486845     -3.333408      2.876985
  C      -2.930976     -4.115121      1.771573
  C      -2.251580     -5.350739      2.299538
  N      -3.056756     -5.887805      3.425935
  C      -4.433340     -6.288781      2.989215
  C      -5.349010     -6.192371      4.197145
  N      -5.315950     -4.836811      4.721723
  Mo     -3.189937     -4.177522      4.933043
  N      -2.264425     -5.927343      6.032556
  C      -1.463111     -6.703458      5.088721
  C      -2.385814     -7.099340      3.977183
  H      -1.072695     -7.626538      5.536572
  H      -0.604402     -6.113030      4.723654
  H      -3.157717     -7.759851      4.390903
  H      -1.872672     -7.634655      3.163865
  H      -6.364366     -6.541352      3.961134
  H      -4.976419     -6.865661      4.989055
  H      -4.770819     -5.603729      2.207425
  H      -4.391535     -7.304325      2.562334
  H      -2.209602     -3.512925      1.193215
  H      -3.723949     -4.410748      1.064086
  H      -1.249582     -5.123961      2.685770
  H      -2.158418     -6.112518      1.507226
  C      -4.138512     -2.218035      2.499041
  C      -4.489828     -1.960024      1.133391
  C      -5.189207     -0.837704      0.741291
  Cl     -5.618761     -0.743758     -0.932782
  C      -5.568998      0.194027      1.658207
  C      -6.330329      1.394903      1.313572
  O      -6.695521      1.746574      0.191751
  C      -6.715124      2.425756      2.387255
  O      -5.944015      2.911806      3.192377
  C      -5.180414     -0.017458      2.979533
  C      -4.497916     -1.161179      3.413875
  C      -4.111173     -1.196413      4.768674
  O      -3.585615     -2.176158      5.359039
  C      -6.325694     -3.961673      4.477419
  C      -6.461484     -2.900403      5.431091
  C      -7.299416     -1.826767      5.264331
  Cl     -7.307047     -0.623739      6.520467
  C      -8.110406     -1.699500      4.097758
  C      -8.898184     -0.531436      3.731864
  O      -9.050130      0.509534      4.381637
  C      -9.547153     -0.420426      2.347859
  O      -8.946485     -0.565305      1.299939
  C      -8.087362     -2.798489      3.233444
  C      -7.275384     -3.930891      3.380661
  C      -7.426968     -4.907194      2.280856
  O      -8.241414     -4.789491      1.368355
  C      -1.966541     -6.076022      7.328325
  C      -0.894152     -6.905189      7.806687
  C      -0.712411     -7.178603      9.142930
  Cl      0.665917     -8.148640      9.551999
  C      -1.562221     -6.643990     10.168343
  C      -1.502133     -7.016493     11.582995
  O      -0.929430     -8.002911     12.049309
  C      -2.146438     -6.115445     12.654342
  O      -2.292259     -4.912066     12.586603
  C      -2.528051     -5.743399      9.726657
  C      -2.725067     -5.422916      8.373964
  C      -3.660214     -4.414411      8.081846
  O      -3.869524     -3.893910      6.954317
  H      -4.251859     -2.678016      0.354564
  H      -7.746160      2.823440      2.227070
  H      -5.411149      0.742752      3.725600
  H      -4.274134     -0.295516      5.381967
  H      -5.852305     -2.960933      6.330111
  H     -10.577763      0.009525      2.391789
  H      -8.712441     -2.785174      2.340650
  H      -6.765920     -5.793785      2.271980
  H      -0.160780     -7.320288      7.121708
  H      -2.348072     -6.693565     13.589529
  H      -3.169338     -5.250830     10.457085
  H      -4.257807     -4.009842      8.917498
  N      -1.466031     -3.628627      4.857913
  N      -0.355309     -3.184157      4.601843
  H       0.279502     -3.136082      5.420867
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.009202760975
  N      -3.461634     -3.330620      2.851210
  C      -2.903744     -4.115137      1.749157
  C      -2.222192     -5.346856      2.283808
  N      -3.023669     -5.874152      3.417090
  C      -4.403883     -6.272915      2.990274
  C      -5.313768     -6.168894      4.201791
  N      -5.272367     -4.813017      4.725094
  Mo     -3.147108     -4.155350      4.913515
  N      -2.238554     -5.904168      6.024516
  C      -1.432893     -6.682011      5.085349
  C      -2.351815     -7.083027      3.972310
  H      -1.040839     -7.602489      5.535857
  H      -0.575706     -6.090262      4.719211
  H      -3.122853     -7.745080      4.384970
  H      -1.834235     -7.618072      3.161601
  H      -6.332066     -6.512596      3.970740
  H      -4.940628     -6.842905      4.993131
  H      -4.743828     -5.589730      2.207975
  H      -4.367085     -7.290146      2.567038
  H      -2.187095     -3.511885      1.166157
  H      -3.695733     -4.418252      1.043837
  H      -1.218530     -5.117838      2.664423
  H      -2.132073     -6.114623      1.496960
  C      -4.132191     -2.227588      2.468462
  C      -4.506001     -1.989516      1.105172
  C      -5.224087     -0.879429      0.710905
  Cl     -5.686066     -0.814316     -0.955604
  C      -5.599114      0.160119      1.620486
  C      -6.371301      1.351443      1.268918
  O      -6.743236      1.691727      0.145909
  C      -6.762104      2.387684      2.336077
  O      -5.992079      2.889075      3.132685
  C      -5.190169     -0.032010      2.938245
  C      -4.490100     -1.163694      3.376110
  C      -4.074257     -1.177196      4.722548
  O      -3.527277     -2.142884      5.314314
  C      -6.287359     -3.938113      4.499182
  C      -6.409269     -2.878467      5.456846
  C      -7.261196     -1.812508      5.312210
  Cl     -7.244202     -0.608846      6.567778
  C      -8.102078     -1.692739      4.166671
  C      -8.921734     -0.538082      3.829293
  O      -9.097320      0.485764      4.499351
  C      -9.580476     -0.416734      2.449740
  O      -8.979948     -0.527935      1.397625
  C      -8.084914     -2.785911      3.296004
  C      -7.257242     -3.909567      3.420596
  C      -7.414562     -4.877674      2.315191
  O      -8.265280     -4.778738      1.434014
  C      -1.965014     -6.069841      7.323537
  C      -0.916617     -6.922221      7.816066
  C      -0.769937     -7.211834      9.153087
  Cl      0.579880     -8.214049      9.581422
  C      -1.629869     -6.669525     10.165836
  C      -1.607606     -7.058147     11.577258
  O      -1.068070     -8.062579     12.044276
  C      -2.253456     -6.153525     12.645135
  O      -2.367633     -4.946185     12.588071
  C      -2.565005     -5.742567      9.714154
  C      -2.728073     -5.407047      8.360242
  C      -3.622633     -4.365075      8.060390
  O      -3.799793     -3.831937      6.932967
  H      -4.272385     -2.714029      0.331171
  H      -7.798298      2.772801      2.178480
  H      -5.415313      0.734924      3.679091
  H      -4.228891     -0.267464      5.325544
  H      -5.778678     -2.934645      6.341066
  H     -10.620137     -0.011065      2.506002
  H      -8.729619     -2.774448      2.417247
  H      -6.721675     -5.738173      2.269488
  H      -0.174805     -7.346380      7.146119
  H      -2.487822     -6.736240     13.569634
  H      -3.207778     -5.239620     10.436113
  H      -4.212225     -3.940611      8.891820
  N      -1.418633     -3.621162      4.831755
  N      -0.300783     -3.193956      4.578379
  H       0.332178     -3.149769      5.399159
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.009718343709
  N      -3.428018     -3.327898      2.829098
  C      -2.865525     -4.114190      1.731501
  C      -2.188147     -5.346272      2.274485
  N      -2.992166     -5.861762      3.410672
  C      -4.375257     -6.251628      2.988116
  C      -5.283132     -6.137505      4.198974
  N      -5.234071     -4.785386      4.725723
  Mo     -3.109134     -4.134292      4.902705
  N      -2.214066     -5.880948      6.019365
  C      -1.406625     -6.662362      5.084784
  C      -2.323800     -7.066917      3.972004
  H      -1.012807     -7.579476      5.539305
  H      -0.548545     -6.073706      4.716227
  H      -3.097550     -7.727839      4.380962
  H      -1.801246     -7.603862      3.165107
  H      -6.304710     -6.471381      3.967922
  H      -4.912393     -6.816429      4.988364
  H      -4.713219     -5.564698      2.207908
  H      -4.345250     -7.268435      2.563678
  H      -2.151201     -3.510099      1.147292
  H      -3.653542     -4.424319      1.024575
  H      -1.182681     -5.122772      2.653684
  H      -2.101643     -6.118515      1.491593
  C      -4.121673     -2.240857      2.438118
  C      -4.518009     -2.027898      1.078398
  C      -5.257796     -0.930898      0.682868
  Cl     -5.756360     -0.901105     -0.971767
  C      -5.628299      0.117048      1.582593
  C      -6.413128      1.296112      1.220224
  O      -6.784444      1.624492      0.093140
  C      -6.821342      2.339066      2.274097
  O      -6.063064      2.855791      3.072497
  C      -5.200342     -0.051605      2.896864
  C      -4.480616     -1.170062      3.339739
  C      -4.038940     -1.159589      4.677212
  O      -3.480413     -2.111371      5.275252
  C      -6.256239     -3.911647      4.514595
  C      -6.366983     -2.860915      5.483595
  C      -7.233533     -1.803483      5.362073
  Cl     -7.203323     -0.607426      6.623523
  C      -8.097897     -1.686384      4.234937
  C      -8.955457     -0.547350      3.939516
  O      -9.170605      0.441936      4.647492
  C      -9.615142     -0.394538      2.560474
  O      -9.005620     -0.456170      1.509503
  C      -8.080846     -2.764340      3.347550
  C      -7.237860     -3.877304      3.445427
  C      -7.386968     -4.831329      2.328573
  O      -8.261743     -4.751947      1.469447
  C      -1.965528     -6.069815      7.320837
  C      -0.946243     -6.952594      7.823469
  C      -0.832209     -7.256029      9.159746
  Cl      0.480691     -8.298995      9.605845
  C      -1.694587     -6.697463     10.161992
  C      -1.704441     -7.094807     11.570687
  O      -1.201954     -8.116971     12.040642
  C      -2.339686     -6.178651     12.635195
  O      -2.414045     -4.967736     12.583477
  C      -2.596038     -5.741732      9.703420
  C      -2.727534     -5.392932      8.349395
  C      -3.580226     -4.318140      8.044112
  O      -3.730641     -3.774866      6.919037
  H      -4.287903     -2.760040      0.310899
  H      -7.858860      2.713758      2.103942
  H      -5.420768      0.722757      3.631158
  H      -4.180293     -0.236400      5.264564
  H      -5.718650     -2.919457      6.353404
  H     -10.662889     -0.013838      2.626015
  H      -8.742313     -2.748361      2.481133
  H      -6.660877     -5.662088      2.253771
  H      -0.202445     -7.392445      7.166169
  H      -2.602273     -6.759595     13.552584
  H      -3.235341     -5.225081     10.418721
  H      -4.157525     -3.872449      8.873180
  N      -1.376594     -3.612066      4.819783
  N      -0.255642     -3.197610      4.558568
  H       0.381635     -3.154421      5.376527
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.010260092799
  N      -3.402790     -3.325652      2.803043
  C      -2.836095     -4.115130      1.709318
  C      -2.157382     -5.344103      2.258629
  N      -2.959304     -5.851594      3.400463
  C      -4.346222     -6.237753      2.986784
  C      -5.248887     -6.116216      4.201634
  N      -5.191312     -4.763447      4.727472
  Mo     -3.066020     -4.114853      4.882089
  N      -2.186589     -5.861026      6.010215
  C      -1.375758     -6.645175      5.079163
  C      -2.290945     -7.055289      3.966082
  H      -0.980516     -7.559937      5.536104
  H      -0.518457     -6.056466      4.709416
  H      -3.064382     -7.716202      4.375782
  H      -1.766476     -7.594143      3.161739
  H      -6.272990     -6.445056      3.974230
  H      -4.878062     -6.796739      4.989755
  H      -4.685373     -5.552079      2.205998
  H      -4.322347     -7.256098      2.565717
  H      -2.123353     -3.511904      1.122240
  H      -3.622427     -4.432055      1.003714
  H      -1.150626     -5.119900      2.634106
  H      -2.073482     -6.121367      1.480479
  C      -4.115269     -2.251776      2.407751
  C      -4.531875     -2.057387      1.051472
  C      -5.290792     -0.973049      0.656090
  Cl     -5.820358     -0.969169     -0.989055
  C      -5.659128      0.080607      1.549511
  C      -6.455966      1.250618      1.183910
  O      -6.828333      1.573588      0.055606
  C      -6.875402      2.292456      2.233632
  O      -6.123503      2.819907      3.031212
  C      -5.212424     -0.069933      2.859577
  C      -4.474568     -1.176010      3.303285
  C      -4.005676     -1.143718      4.631278
  O      -3.424506     -2.081669      5.228957
  C      -6.217472     -3.889042      4.536198
  C      -6.312511     -2.841449      5.510090
  C      -7.191092     -1.791062      5.412870
  Cl     -7.136514     -0.595490      6.673764
  C      -8.084096     -1.678774      4.308013
  C      -8.968457     -0.552940      4.041510
  O      -9.203114      0.416872      4.769358
  C      -9.637678     -0.390168      2.667990
  O      -9.029075     -0.420396      1.614664
  C      -8.074076     -2.749839      3.412698
  C      -7.218190     -3.854455      3.485036
  C      -7.374995     -4.797580      2.360081
  O      -8.280124     -4.734241      1.531677
  C      -1.963596     -6.062881      7.314626
  C      -0.969073     -6.965099      7.832767
  C      -0.890672     -7.281400      9.168499
  Cl      0.392437     -8.351846      9.635667
  C      -1.764868     -6.715003     10.156400
  C      -1.814381     -7.123904     11.560923
  O      -1.344192     -8.160480     12.032740
  C      -2.453291     -6.203698     12.619728
  O      -2.498786     -4.990965     12.578143
  C      -2.635697     -5.736794      9.686774
  C      -2.732055     -5.376182      8.332684
  C      -3.544854     -4.272507      8.020320
  O      -3.660914     -3.719801      6.895255
  H      -4.304428     -2.794626      0.288127
  H      -7.916852      2.655559      2.061593
  H      -5.429009      0.710696      3.588454
  H      -4.142108     -0.213321      5.208517
  H      -5.643203     -2.896776      6.363923
  H     -10.692333     -0.031088      2.742925
  H      -8.753957     -2.734558      2.560377
  H      -6.623480     -5.600786      2.246360
  H      -0.217700     -7.412474      7.189506
  H      -2.750500     -6.787234     13.524849
  H      -3.277880     -5.210795     10.392626
  H      -4.116338     -3.808781      8.843538
  N      -1.330261     -3.606169      4.788284
  N      -0.203875     -3.206324      4.527103
  H       0.432307     -3.167006      5.346195
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.010794009606
  N      -3.377695     -3.324186      2.776771
  C      -2.806488     -4.116587      1.686766
  C      -2.126346     -5.342564      2.242162
  N      -2.926274     -5.842558      3.389411
  C      -4.316973     -6.224854      2.984434
  C      -5.214571     -6.096048      4.203266
  N      -5.148494     -4.742621      4.728299
  Mo     -3.022893     -4.096808      4.860727
  N      -2.158879     -5.842052      6.000410
  C      -1.344529     -6.628890      5.072709
  C      -2.257788     -7.044870      3.959333
  H      -0.947636     -7.541198      5.532027
  H      -0.488080     -6.040051      4.701738
  H      -3.030818     -7.705822      4.369914
  H      -1.731517     -7.585718      3.157552
  H      -6.241086     -6.419922      3.979270
  H      -4.843759     -6.778316      4.990022
  H      -4.657171     -5.540298      2.203125
  H      -4.299292     -7.244644      2.566635
  H      -2.095080     -3.514267      1.097078
  H      -3.591036     -4.440224      0.982422
  H      -1.118393     -5.117727      2.614186
  H      -2.044846     -6.124594      1.468591
  C      -4.109187     -2.263706      2.378013
  C      -4.546269     -2.087428      1.025873
  C      -5.324489     -1.015831      0.631975
  Cl     -5.885547     -1.037266     -1.002476
  C      -5.690605      0.042988      1.519650
  C      -6.499695      1.204056      1.152138
  O      -6.872912      1.522891      0.022921
  C      -6.930571      2.243355      2.198692
  O      -6.185518      2.780419      2.996475
  C      -5.224926     -0.089879      2.824848
  C      -4.468807     -1.183526      3.268094
  C      -3.972823     -1.129589      4.585703
  O      -3.369014     -2.053793      5.181840
  C      -6.178096     -3.867294      4.557470
  C      -6.256945     -2.823218      5.536365
  C      -7.146658     -1.779753      5.464182
  Cl     -7.067532     -0.584861      6.724188
  C      -8.067602     -1.671789      4.382243
  C      -8.977290     -0.559357      4.145314
  O      -9.230494      0.389703      4.893434
  C      -9.655166     -0.385481      2.777275
  O      -9.047237     -0.384000      1.722580
  C      -8.065143     -2.735491      3.478602
  C      -7.197469     -3.831776      3.524552
  C      -7.362585     -4.763019      2.390907
  O      -8.296137     -4.715778      1.593637
  C      -1.962035     -6.055650      7.307481
  C      -0.992789     -6.976048      7.841799
  C      -0.950777     -7.303535      9.176350
  Cl      0.301751     -8.400001      9.665393
  C      -1.837283     -6.728694     10.148764
  C      -1.927240     -7.147226     11.548406
  O      -1.489404     -8.196953     12.022334
  C      -2.570593     -6.222407     12.600423
  O      -2.588024     -5.008646     12.568783
  C      -2.677070     -5.729341      9.667729
  C      -2.737544     -5.358543      8.314123
  C      -3.510098     -4.227631      7.994816
  O      -3.591014     -3.667219      6.869911
  H      -4.321601     -2.829344      0.266306
  H      -7.975743      2.595096      2.024742
  H      -5.437653      0.696731      3.548525
  H      -4.104713     -0.192359      5.152977
  H      -5.567039     -2.875662      6.373681
  H     -10.716012     -0.047278      2.860617
  H      -8.762972     -2.720456      2.640598
  H      -6.588301     -5.537384      2.237320
  H      -0.233788     -7.431074      7.213243
  H      -2.902646     -6.807215     13.492563
  H      -3.322428     -5.193839     10.363476
  H      -4.075849     -3.746119      8.811808
  N      -1.284313     -3.601224      4.755722
  N      -0.153044     -3.214963      4.494410
  H       0.482037     -3.179303      5.314606
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.011277542043
  N      -3.352786     -3.322324      2.751379
  C      -2.776904     -4.117150      1.664732
  C      -2.095024     -5.340116      2.225594
  N      -2.893253     -5.834302      3.377363
  C      -4.287367     -6.213808      2.980067
  C      -5.180530     -6.078723      4.202726
  N      -5.107628     -4.724088      4.726377
  Mo     -2.982120     -4.081397      4.839459
  N      -2.132892     -5.825102      5.990385
  C      -1.314268     -6.614197      5.065926
  C      -2.224260     -7.035498      3.951057
  H      -0.916241     -7.524356      5.527386
  H      -0.458351     -6.024856      4.695035
  H      -2.996797     -7.697281      4.361440
  H      -1.695446     -7.577361      3.151703
  H      -6.208920     -6.398923      3.982016
  H      -4.809123     -6.762120      4.988312
  H      -4.628913     -5.530799      2.197961
  H      -4.274657     -7.235032      2.565680
  H      -2.066527     -3.515549      1.072958
  H      -3.559557     -4.447141      0.961448
  H      -1.086336     -5.114119      2.595135
  H      -2.014878     -6.126345      1.456210
  C      -4.101884     -2.274544      2.350274
  C      -4.558792     -2.115131      1.002768
  C      -5.353856     -1.054825      0.610988
  Cl     -5.945305     -1.100098     -1.012311
  C      -5.715752      0.009623      1.493262
  C      -6.533615      1.164275      1.124434
  O      -6.907472      1.480057     -0.005461
  C      -6.971708      2.202138      2.168248
  O      -6.231748      2.744407      2.967454
  C      -5.232351     -0.107321      2.793457
  C      -4.460591     -1.190169      3.235556
  C      -3.939450     -1.116509      4.542924
  O      -3.315184     -2.028458      5.136779
  C      -6.141018     -3.848725      4.575773
  C      -6.202458     -2.806903      5.558052
  C      -7.101973     -1.770016      5.510745
  Cl     -6.996960     -0.574342      6.767932
  C      -8.052308     -1.668051      4.454104
  C      -8.987316     -0.570212      4.248235
  O      -9.252270      0.360633      5.014436
  C      -9.686611     -0.392629      2.891500
  O      -9.090783     -0.367001      1.829772
  C      -8.058905     -2.725480      3.543473
  C      -7.179646     -3.812960      3.562189
  C      -7.355065     -4.732156      2.420097
  O      -8.315211     -4.700297      1.654338
  C      -1.962156     -6.049054      7.299761
  C      -1.018049     -6.985962      7.850556
  C      -1.011535     -7.322086      9.183510
  Cl      0.210445     -8.442636      9.694360
  C      -1.909511     -6.737593     10.140031
  C      -2.038645     -7.162837     11.534557
  O      -1.632838     -8.224356     12.010848
  C      -2.685601     -6.232063     12.578972
  O      -2.675884     -5.018010     12.556272
  C      -2.718758     -5.719067      9.647352
  C      -2.744604     -5.340908      8.294501
  C      -3.478794     -4.185957      7.968303
  O      -3.526345     -3.620545      6.843256
  H      -4.338149     -2.861874      0.246817
  H      -8.018919      2.547222      1.992223
  H      -5.440052      0.685436      3.511971
  H      -4.066862     -0.173143      5.101037
  H      -5.491715     -2.855452      6.377858
  H     -10.751886     -0.073453      2.991394
  H      -8.775350     -2.711700      2.720979
  H      -6.562223     -5.478215      2.226778
  H      -0.251903     -7.449134      7.237069
  H      -3.051245     -6.816183     13.458416
  H      -3.366913     -5.173528     10.332596
  H      -4.039054     -3.687387      8.778896
  N      -1.240999     -3.598104      4.724309
  N      -0.105422     -3.224430      4.462811
  H       0.529429     -3.194229      5.283456
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.011697312048
  N      -3.326846     -3.320507      2.725475
  C      -2.745043     -4.117687      1.642243
  C      -2.062543     -5.338819      2.208405
  N      -2.859873     -5.827036      3.364824
  C      -4.258384     -6.201038      2.976526
  C      -5.145410     -6.059305      4.204715
  N      -5.064046     -4.703474      4.726977
  Mo     -2.936821     -4.065352      4.817425
  N      -2.103666     -5.809342      5.979649
  C      -1.282196     -6.601368      5.057281
  C      -2.191299     -7.028195      3.942231
  H      -0.882776     -7.509595      5.520326
  H      -0.426540     -6.012582      4.685600
  H      -2.963638     -7.689744      4.353716
  H      -1.661853     -7.572645      3.145144
  H      -6.175959     -6.375567      3.987987
  H      -4.772953     -6.744613      4.988173
  H      -4.601003     -5.518220      2.194687
  H      -4.253175     -7.223291      2.564560
  H      -2.033963     -3.517853      1.049370
  H      -3.525459     -4.453430      0.939511
  H      -1.052896     -5.113435      2.575957
  H      -1.984474     -6.128936      1.442887
  C      -4.097577     -2.287957      2.323211
  C      -4.577388     -2.146303      0.981931
  C      -5.393984     -1.099917      0.595603
  Cl     -6.019068     -1.169166     -1.014240
  C      -5.753498     -0.031763      1.473983
  C      -6.583600      1.115397      1.107494
  O      -6.958670      1.430394     -0.022379
  C      -7.030526      2.148311      2.150421
  O      -6.297268      2.694216      2.953685
  C      -5.248909     -0.131529      2.767454
  C      -4.456815     -1.201015      3.204955
  C      -3.907156     -1.104884      4.499432
  O      -3.258118     -2.002785      5.088435
  C      -6.099644     -3.826799      4.596133
  C      -6.144005     -2.787004      5.581088
  C      -7.052518     -1.756463      5.557030
  Cl     -6.922872     -0.557931      6.808780
  C      -8.029301     -1.659901      4.524194
  C      -8.987623     -0.576996      4.346745
  O      -9.268071      0.333357      5.131278
  C      -9.695665     -0.391216      2.995945
  O      -9.100870     -0.329726      1.934281
  C      -8.044162     -2.711364      3.607096
  C      -7.155425     -3.790374      3.600349
  C      -7.339646     -4.697653      2.449572
  O      -8.321913     -4.680203      1.712147
  C      -1.961434     -6.042974      7.291351
  C      -1.045087     -6.996665      7.859859
  C      -1.076623     -7.341202      9.190126
  Cl      0.111183     -8.486444      9.724643
  C      -1.986669     -6.745551     10.129069
  C      -2.157902     -7.176056     11.517390
  O      -1.786603     -8.249172     11.996160
  C      -2.806052     -6.237578     12.553749
  O      -2.765455     -5.024034     12.540982
  C      -2.762572     -5.707326      9.624096
  C      -2.751407     -5.322410      8.272831
  C      -3.443893     -4.142471      7.940328
  O      -3.452982     -3.572493      6.815877
  H      -4.359678     -2.896581      0.228714
  H      -8.079409      2.487007      1.971100
  H      -5.452302      0.667018      3.480960
  H      -4.032040     -0.155969      5.048383
  H      -5.413635     -2.831205      6.383535
  H     -10.767229     -0.096153      3.102751
  H      -8.777115     -2.699031      2.798778
  H      -6.530364     -5.415111      2.219270
  H      -0.272052     -7.467673      7.261433
  H      -3.208887     -6.819468     13.418458
  H      -3.413268     -5.150895     10.298081
  H      -3.999407     -3.626155      8.743184
  N      -1.193827     -3.596905      4.687944
  N      -0.053968     -3.236270      4.424447
  H       0.579236     -3.207457      5.246463
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.011951167618
  N      -3.304202     -3.318291      2.701346
  C      -2.716167     -4.116480      1.621275
  C      -2.031245     -5.334880      2.191724
  N      -2.827517     -5.820024      3.351258
  C      -4.228660     -6.192185      2.969098
  C      -5.111419     -6.046275      4.201440
  N      -5.025025     -4.689166      4.722676
  Mo     -2.898990     -4.052428      4.796459
  N      -2.078385     -5.793417      5.969207
  C      -1.252857     -6.588298      5.049978
  C      -2.157671     -7.020086      3.932276
  H      -0.853106     -7.494739      5.515264
  H      -0.396914     -5.999675      4.679375
  H      -2.929367     -7.683430      4.342347
  H      -1.624725     -7.564696      3.137729
  H      -6.143275     -6.360649      3.988460
  H      -4.736909     -6.732499      4.983129
  H      -4.573156     -5.510728      2.186821
  H      -4.227149     -7.215451      2.559736
  H      -2.005665     -3.516704      1.027577
  H      -3.494134     -4.458366      0.919041
  H      -1.021455     -5.108246      2.558345
  H      -1.953044     -6.127753      1.429156
  C      -4.094067     -2.299913      2.298315
  C      -4.593083     -2.174199      0.962701
  C      -5.424923     -1.138096      0.579949
  Cl     -6.076222     -1.227201     -1.018562
  C      -5.779275     -0.064457      1.453219
  C      -6.612155      1.080439      1.084714
  O      -6.986558      1.392611     -0.046303
  C      -7.057877      2.117214      2.122922
  O      -6.326794      2.659517      2.930849
  C      -5.258843     -0.150107      2.741403
  C      -4.452486     -1.209684      3.176208
  C      -3.879522     -1.094975      4.459483
  O      -3.210420     -1.981303      5.043768
  C      -6.064856     -3.813798      4.614776
  C      -6.093014     -2.778028      5.604262
  C      -7.009262     -1.753494      5.604908
  Cl     -6.853951     -0.553629      6.852208
  C      -8.012596     -1.661962      4.597398
  C      -8.995508     -0.596309      4.452336
  O      -9.288982      0.292448      5.256072
  C      -9.720594     -0.405163      3.111579
  O      -9.134839     -0.313080      2.046536
  C      -8.035912     -2.705678      3.672226
  C      -7.137773     -3.775639      3.637538
  C      -7.332720     -4.669104      2.477149
  O      -8.334980     -4.662837      1.767147
  C      -1.964130     -6.036299      7.282396
  C      -1.073971     -7.004637      7.867302
  C      -1.140829     -7.355139      9.194581
  Cl      0.014611     -8.522622      9.750382
  C      -2.060772     -6.747745     10.116887
  C      -2.269212     -7.180395     11.499369
  O      -1.931257     -8.263673     11.980215
  C      -2.915558     -6.232576     12.527918
  O      -2.845284     -5.020364     12.522797
  C      -2.805844     -5.692767      9.600612
  C      -2.761389     -5.304128      8.250925
  C      -3.417053     -4.104207      7.912135
  O      -3.392078     -3.532412      6.788105
  H      -4.378855     -2.928444      0.212489
  H      -8.103940      2.461516      1.937376
  H      -5.456437      0.654820      3.449448
  H      -4.001354     -0.141143      5.000475
  H      -5.343898     -2.819074      6.389262
  H     -10.796617     -0.132070      3.231452
  H      -8.785358     -2.693444      2.878652
  H      -6.512711     -5.362029      2.212214
  H      -0.294809     -7.484147      7.284069
  H      -3.351272     -6.809455     13.380060
  H      -3.458388     -5.125639     10.263897
  H      -3.968717     -3.572423      8.707570
  N      -1.153828     -3.594448      4.656409
  N      -0.010949     -3.243451      4.391754
  H       0.623600     -3.223242      5.212985
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.013169765886
  N      -3.275377     -3.316811      2.691354
  C      -2.698981     -4.121546      1.611529
  C      -2.024137     -5.343422      2.185794
  N      -2.815266     -5.807690      3.356546
  C      -4.223052     -6.162335      2.988412
  C      -5.098473     -5.996560      4.221231
  N      -4.987701     -4.642535      4.742454
  Mo     -2.854045     -4.027172      4.786494
  N      -2.058417     -5.776441      5.962133
  C      -1.238399     -6.579247      5.050648
  C      -2.154833     -7.010446      3.941275
  H      -0.839242     -7.484244      5.521735
  H      -0.382868     -5.995790      4.672003
  H      -2.930852     -7.662572      4.360906
  H      -1.631746     -7.565672      3.147730
  H      -6.136778     -6.290974      4.006079
  H      -4.738140     -6.688103      5.004748
  H      -4.560497     -5.478995      2.205057
  H      -4.240661     -7.187598      2.584398
  H      -1.986783     -3.528409      1.013411
  H      -3.481593     -4.458815      0.911976
  H      -1.008302     -5.125797      2.539815
  H      -1.963116     -6.143803      1.429458
  C      -4.071345     -2.305269      2.286737
  C      -4.582741     -2.196878      0.954837
  C      -5.428199     -1.173180      0.570376
  Cl     -6.103100     -1.288059     -1.016871
  C      -5.785158     -0.094924      1.436563
  C      -6.640826      1.031112      1.062494
  O      -7.013138      1.334157     -0.071286
  C      -7.115585      2.059612      2.096663
  O      -6.399280      2.629720      2.898602
  C      -5.248869     -0.161214      2.719630
  C      -4.428473     -1.209322      3.157131
  C      -3.833111     -1.076248      4.428450
  O      -3.148093     -1.951378      5.010989
  C      -6.021913     -3.761551      4.633842
  C      -6.056508     -2.719504      5.616071
  C      -6.998669     -1.719074      5.628548
  Cl     -6.859549     -0.515022      6.873730
  C      -8.017270     -1.654255      4.635149
  C      -9.031186     -0.614634      4.512140
  O      -9.355618      0.242092      5.338225
  C      -9.765552     -0.416693      3.177037
  O      -9.186844     -0.295804      2.111122
  C      -8.024733     -2.697618      3.707526
  C      -7.101343     -3.746524      3.667437
  C      -7.276306     -4.652771      2.516280
  O      -8.288534     -4.694043      1.822040
  C      -1.960919     -6.028731      7.272018
  C      -1.101032     -7.024151      7.853769
  C      -1.192069     -7.386562      9.176670
  Cl     -0.070852     -8.587661      9.732709
  C      -2.110108     -6.768330     10.093395
  C      -2.349959     -7.213179     11.467062
  O      -2.040433     -8.307578     11.941008
  C      -2.999254     -6.264900     12.494147
  O      -2.911327     -5.053909     12.502639
  C      -2.823273     -5.689258      9.581050
  C      -2.750386     -5.285890      8.236853
  C      -3.357643     -4.059838      7.902499
  O      -3.303010     -3.479971      6.783314
  H      -4.370469     -2.957998      0.210428
  H      -8.171093      2.372077      1.909386
  H      -5.447195      0.648050      3.422432
  H      -3.945109     -0.113961      4.956595
  H      -5.296013     -2.740101      6.390270
  H     -10.851749     -0.191281      3.301638
  H      -8.785619     -2.707051      2.925631
  H      -6.421062     -5.294197      2.228188
  H      -0.329627     -7.519597      7.271795
  H      -3.465392     -6.842915     13.329169
  H      -3.469850     -5.113757     10.243022
  H      -3.890395     -3.513244      8.700035
  N      -1.106095     -3.586694      4.632679
  N       0.040506     -3.250190      4.365187
  H       0.676082     -3.237466      5.186017
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.013807406579
  N      -3.231825     -3.310725      2.685902
  C      -2.655601     -4.116576      1.609396
  C      -1.988016     -5.338525      2.188632
  N      -2.779422     -5.788994      3.363135
  C      -4.189158     -6.133694      2.996433
  C      -5.070069     -5.949691      4.221393
  N      -4.944434     -4.597039      4.743504
  Mo     -2.808432     -3.998872      4.779932
  N      -2.039450     -5.756192      5.956796
  C      -1.216034     -6.567263      5.064014
  C      -2.129903     -6.994012      3.952654
  H      -0.823360     -7.471455      5.544683
  H      -0.356921     -5.987359      4.689931
  H      -2.912937     -7.637304      4.372665
  H      -1.608702     -7.555508      3.162762
  H      -6.110451     -6.229140      3.994974
  H      -4.729080     -6.643592      5.010840
  H      -4.513677     -5.453491      2.205305
  H      -4.218096     -7.162311      2.601789
  H      -1.938922     -3.525301      1.015028
  H      -3.435833     -4.451099      0.906183
  H      -0.970327     -5.124123      2.537974
  H      -1.935506     -6.145234      1.438502
  C      -4.050053     -2.321567      2.279768
  C      -4.579615     -2.245847      0.953269
  C      -5.466714     -1.260997      0.567884
  Cl     -6.157854     -1.420800     -1.010604
  C      -5.854421     -0.187464      1.428402
  C      -6.760951      0.897622      1.050270
  O      -7.153371      1.166909     -0.084979
  C      -7.285299      1.905714      2.081127
  O      -6.602112      2.497653      2.896019
  C      -5.294146     -0.215752      2.703879
  C      -4.429679     -1.228129      3.141549
  C      -3.815459     -1.063171      4.401874
  O      -3.103524     -1.917560      4.986825
  C      -5.973349     -3.709303      4.643607
  C      -5.986474     -2.656030      5.612803
  C      -6.924460     -1.653025      5.634664
  Cl     -6.762028     -0.438389      6.867024
  C      -7.962096     -1.592334      4.662690
  C      -8.978487     -0.551926      4.565471
  O      -9.279765      0.299069      5.406328
  C      -9.745907     -0.349221      3.251337
  O      -9.197651     -0.221030      2.171657
  C      -7.984478     -2.639036      3.735997
  C      -7.058968     -3.688046      3.686665
  C      -7.228645     -4.581330      2.526832
  O      -8.254103     -4.648778      1.854808
  C      -1.974096     -6.024500      7.261851
  C      -1.156900     -7.056962      7.835177
  C      -1.274246     -7.435485      9.152056
  Cl     -0.198853     -8.681767      9.699602
  C      -2.180593     -6.800097     10.067198
  C      -2.451263     -7.256906     11.431705
  O      -2.183402     -8.367743     11.892040
  C      -3.085442     -6.302888     12.463413
  O      -2.946600     -5.097421     12.500805
  C      -2.853778     -5.691618      9.562034
  C      -2.751711     -5.273054      8.224301
  C      -3.309314     -4.026020      7.895164
  O      -3.227318     -3.437494      6.780964
  H      -4.352774     -3.010470      0.216158
  H      -8.353258      2.166782      1.890807
  H      -5.513437      0.594435      3.399288
  H      -3.937501     -0.095198      4.916964
  H      -5.209104     -2.666395      6.370326
  H     -10.823029     -0.102464      3.407501
  H      -8.753621     -2.648140      2.962691
  H      -6.360755     -5.197818      2.220193
  H      -0.401365     -7.573262      7.249122
  H      -3.565918     -6.879093     13.291581
  H      -3.489518     -5.105213     10.224850
  H      -3.826434     -3.468823      8.694577
  N      -1.057549     -3.566539      4.621403
  N       0.091456     -3.238896      4.354193
  H       0.727537     -3.237212      5.174699
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.014967802828
  N      -3.215205     -3.304491      2.679157
  C      -2.641249     -4.113387      1.604078
  C      -1.977256     -5.336855      2.183421
  N      -2.761691     -5.777847      3.365726
  C      -4.174962     -6.120170      3.013626
  C      -5.045586     -5.924437      4.243818
  N      -4.914738     -4.568550      4.758072
  Mo     -2.775275     -3.975610      4.771855
  N      -2.017881     -5.739980      5.946600
  C      -1.195297     -6.555523      5.060269
  C      -2.113538     -6.982975      3.953951
  H      -0.801003     -7.457637      5.542343
  H      -0.337114     -5.976057      4.684310
  H      -2.897226     -7.621762      4.379680
  H      -1.598220     -7.548493      3.163209
  H      -6.087270     -6.202623      4.022391
  H      -4.703804     -6.614813      5.035858
  H      -4.502156     -5.446015      2.218426
  H      -4.212568     -7.152210      2.628914
  H      -1.920200     -3.525770      1.011473
  H      -3.421189     -4.445013      0.900288
  H      -0.955988     -5.126781      2.524485
  H      -1.935653     -6.147816      1.437329
  C      -4.044799     -2.324782      2.273392
  C      -4.592313     -2.267234      0.952886
  C      -5.485298     -1.290356      0.564531
  Cl     -6.189044     -1.469838     -1.007704
  C      -5.859189     -0.201165      1.413315
  C      -6.744338      0.898254      1.020176
  O      -7.127703      1.154042     -0.121574
  C      -7.229232      1.944380      2.031786
  O      -6.526775      2.515231      2.845626
  C      -5.288748     -0.216106      2.685164
  C      -4.420925     -1.224133      3.126529
  C      -3.796611     -1.044760      4.380185
  O      -3.070678     -1.889379      4.965384
  C      -5.952707     -3.690514      4.665724
  C      -5.969462     -2.630723      5.626734
  C      -6.928419     -1.648199      5.659650
  Cl     -6.769801     -0.418190      6.877115
  C      -7.987501     -1.616248      4.709742
  C      -9.031762     -0.602435      4.631323
  O      -9.325643      0.249129      5.474272
  C      -9.834095     -0.430411      3.335751
  O      -9.320379     -0.324052      2.237555
  C      -8.001568     -2.665935      3.785146
  C      -7.049478     -3.689715      3.721520
  C      -7.200117     -4.572466      2.551456
  O      -8.230512     -4.671600      1.891565
  C      -1.979236     -6.019648      7.250878
  C      -1.197680     -7.079643      7.822507
  C      -1.336358     -7.467014      9.134828
  Cl     -0.301356     -8.747508      9.679289
  C      -2.231784     -6.814293     10.047422
  C      -2.525881     -7.274163     11.406336
  O      -2.289685     -8.394755     11.860060
  C      -3.135669     -6.309451     12.442531
  O      -2.965824     -5.108362     12.487679
  C      -2.870191     -5.683915      9.545390
  C      -2.745492     -5.257764      8.211935
  C      -3.260819     -3.993803      7.887712
  O      -3.155353     -3.401174      6.777303
  H      -4.371852     -3.039884      0.222541
  H      -8.273870      2.264446      1.812522
  H      -5.498449      0.606446      3.369156
  H      -3.919101     -0.073047      4.887339
  H      -5.177208     -2.615474      6.368698
  H     -10.913116     -0.207397      3.512868
  H      -8.779516     -2.692844      3.021031
  H      -6.306113     -5.136817      2.219289
  H      -0.455354     -7.611662      7.234469
  H      -3.646994     -6.876271     13.258827
  H      -3.495058     -5.086033     10.208394
  H      -3.763791     -3.425255      8.687920
  N      -1.024674     -3.549711      4.591814
  N       0.123468     -3.226873      4.313178
  H       0.764571     -3.226639      5.129809
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.015888378128
  N      -3.177228     -3.305672      2.646076
  C      -2.595703     -4.116039      1.574871
  C      -1.936699     -5.341211      2.158325
  N      -2.723440     -5.775101      3.342667
  C      -4.141747     -6.106742      2.995870
  C      -5.006236     -5.903564      4.230510
  N      -4.864999     -4.548347      4.748555
  Mo     -2.723479     -3.966900      4.741903
  N      -1.984712     -5.729784      5.927773
  C      -1.161277     -6.549929      5.039754
  C      -2.078149     -6.981596      3.932263
  H      -0.764740     -7.449985      5.518756
  H      -0.303813     -5.969879      4.662405
  H      -2.862133     -7.620008      4.358182
  H      -1.562672     -7.548146      3.142086
  H      -6.050659     -6.173599      4.011810
  H      -4.666210     -6.599460      5.018904
  H      -4.468685     -5.433080      2.199552
  H      -4.188797     -7.139512      2.614522
  H      -1.869956     -3.529948      0.986359
  H      -3.370784     -4.449346      0.867713
  H      -0.914260     -5.136459      2.499880
  H      -1.899436     -6.154696      1.414841
  C      -4.025682     -2.338069      2.243409
  C      -4.600638     -2.293352      0.933274
  C      -5.514386     -1.329075      0.559394
  Cl     -6.261891     -1.536131     -0.988678
  C      -5.883543     -0.239683      1.409275
  C      -6.789270      0.847970      1.028319
  O      -7.200448      1.087672     -0.107536
  C      -7.280004      1.887130      2.044183
  O      -6.585482      2.458532      2.864446
  C      -5.284427     -0.238958      2.667358
  C      -4.395858     -1.234032      3.095604
  C      -3.748914     -1.037679      4.334914
  O      -3.006523     -1.871290      4.913507
  C      -5.907775     -3.673396      4.685559
  C      -5.920921     -2.632498      5.666990
  C      -6.892385     -1.663065      5.732616
  Cl     -6.721845     -0.446769      6.962334
  C      -7.968297     -1.628276      4.800427
  C      -9.032853     -0.633321      4.755303
  O      -9.342758      0.186892      5.622782
  C      -9.846913     -0.448136      3.468562
  O      -9.342823     -0.316726      2.367679
  C      -7.984226     -2.661624      3.858547
  C      -7.021033     -3.670456      3.761396
  C      -7.174908     -4.530682      2.573940
  O      -8.211477     -4.631548      1.924476
  C      -1.983398     -6.015538      7.235418
  C      -1.246743     -7.096237      7.833240
  C      -1.431172     -7.476491      9.141466
  Cl     -0.452200     -8.787665      9.714637
  C      -2.329778     -6.795076     10.030009
  C      -2.671176     -7.241071     11.382206
  O      -2.484310     -8.367760     11.843635
  C      -3.276914     -6.255587     12.400345
  O      -3.080411     -5.058308     12.438892
  C      -2.919752     -5.647476      9.510610
  C      -2.751377     -5.228789      8.179316
  C      -3.216594     -3.946332      7.846517
  O      -3.072363     -3.361849      6.736198
  H      -4.388717     -3.067737      0.202906
  H      -8.330832      2.192830      1.831739
  H      -5.489933      0.585979      3.349324
  H      -3.868922     -0.062221      4.835662
  H      -5.118285     -2.619956      6.397761
  H     -10.932630     -0.265535      3.653421
  H      -8.774481     -2.686177      3.107009
  H      -6.267448     -5.048798      2.203710
  H      -0.504991     -7.651459      7.268764
  H      -3.840416     -6.801259     13.196460
  H      -3.540819     -5.028427     10.157799
  H      -3.709827     -3.355860      8.637580
  N      -0.971558     -3.552966      4.543839
  N       0.177749     -3.239987      4.257695
  H       0.823847     -3.245206      5.070432
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.016824551302
  N      -3.141198     -3.302240      2.624402
  C      -2.553192     -4.111426      1.555972
  C      -1.899315     -5.338916      2.142262
  N      -2.685819     -5.765178      3.329948
  C      -4.108045     -6.088951      2.989136
  C      -4.968022     -5.876164      4.225362
  N      -4.817119     -4.521210      4.744700
  Mo     -2.675636     -3.948951      4.720959
  N      -1.955732     -5.712148      5.912352
  C      -1.128126     -6.535917      5.030758
  C      -2.042644     -6.972042      3.921942
  H      -0.727938     -7.432508      5.512374
  H      -0.272273     -5.953510      4.653409
  H      -2.827236     -7.609152      4.348855
  H      -1.526755     -7.540358      3.133272
  H      -6.014758     -6.138017      4.006680
  H      -4.632619     -6.575223      5.013227
  H      -4.433681     -5.418221      2.189537
  H      -4.163791     -7.123538      2.614076
  H      -1.822743     -3.524998      0.973626
  H      -3.323330     -4.443695      0.843726
  H      -0.875212     -5.139024      2.481778
  H      -1.868173     -6.155071      1.401496
  C      -4.010085     -2.350529      2.225273
  C      -4.608151     -2.323956      0.924552
  C      -5.545154     -1.378187      0.560237
  Cl     -6.321147     -1.615404     -0.969358
  C      -5.917390     -0.288392      1.408418
  C      -6.845257      0.783365      1.033462
  O      -7.270858      1.007635     -0.100334
  C      -7.333223      1.825992      2.047871
  O      -6.640904      2.398554      2.868945
  C      -5.294444     -0.267346      2.654427
  C      -4.382857     -1.244852      3.074479
  C      -3.719067     -1.028268      4.301410
  O      -2.958103     -1.846603      4.876518
  C      -5.863445     -3.650051      4.704156
  C      -5.864414     -2.609859      5.685914
  C      -6.844514     -1.650319      5.772051
  Cl     -6.657290     -0.430405      6.996098
  C      -7.942581     -1.627630      4.864665
  C      -9.022448     -0.647919      4.846493
  O      -9.328939      0.158951      5.727714
  C      -9.864696     -0.469066      3.577202
  O      -9.384851     -0.310387      2.468753
  C      -7.966819     -2.659747      3.921199
  C      -6.993272     -3.655167      3.802282
  C      -7.149764     -4.509433      2.610658
  O      -8.199196     -4.649443      1.990352
  C      -1.993828     -6.008874      7.217915
  C      -1.309321     -7.119026      7.825244
  C      -1.534338     -7.499918      9.126674
  Cl     -0.619255     -8.852333      9.709300
  C      -2.425060     -6.790753     10.001488
  C      -2.808531     -7.230997     11.344499
  O      -2.672632     -8.366505     11.801946
  C      -3.398598     -6.229695     12.356168
  O      -3.148061     -5.043277     12.412841
  C      -2.964044     -5.621158      9.476923
  C      -2.756174     -5.202640      8.150995
  C      -3.169879     -3.902458      7.817039
  O      -2.992568     -3.322173      6.709199
  H      -4.397027     -3.100115      0.195767
  H      -8.379867      2.139080      1.825074
  H      -5.501437      0.560792      3.331920
  H      -3.842266     -0.048965      4.794085
  H      -5.046383     -2.586825      6.399236
  H     -10.945709     -0.286177      3.787954
  H      -8.772023     -2.693033      3.186407
  H      -6.235646     -5.008428      2.228392
  H      -0.579822     -7.700881      7.271844
  H      -3.984762     -6.760850     13.145545
  H      -3.575882     -4.983981     10.115171
  H      -3.648916     -3.294790      8.604150
  N      -0.923270     -3.542285      4.506800
  N       0.225581     -3.235160      4.212109
  H       0.877399     -3.244184      5.020283
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.017885043276
  N      -3.103458     -3.296884      2.611433
  C      -2.507816     -4.102732      1.546200
  C      -1.858512     -5.332533      2.134980
  N      -2.644092     -5.751983      3.325496
  C      -4.068745     -6.072461      2.989250
  C      -4.926317     -5.848342      4.224513
  N      -4.770555     -4.491047      4.740565
  Mo     -2.631946     -3.925166      4.707721
  N      -1.931857     -5.688313      5.900666
  C      -1.095587     -6.515920      5.034798
  C      -2.002413     -6.957786      3.922010
  H      -0.690520     -7.406732      5.525725
  H      -0.241733     -5.929003      4.660664
  H      -2.788229     -7.593780      4.348558
  H      -1.483382     -7.527693      3.136779
  H      -5.973892     -6.106272      4.005978
  H      -4.594631     -6.546048      5.015335
  H      -4.393058     -5.409214      2.182738
  H      -4.130162     -7.110606      2.625016
  H      -1.772064     -3.513988      0.973051
  H      -3.271852     -4.432412      0.826744
  H      -0.833228     -5.135976      2.472502
  H      -1.832815     -6.151215      1.396891
  C      -3.996256     -2.367030      2.216093
  C      -4.615538     -2.366365      0.924936
  C      -5.582918     -1.449342      0.567222
  Cl     -6.375264     -1.724754     -0.947875
  C      -5.969149     -0.360973      1.412062
  C      -6.929417      0.684341      1.041094
  O      -7.374041      0.881547     -0.090279
  C      -7.421771      1.729974      2.052453
  O      -6.740816      2.301083      2.883351
  C      -5.323511     -0.311277      2.645739
  C      -4.381295     -1.261936      3.060238
  C      -3.706748     -1.019139      4.276700
  O      -2.925520     -1.816540      4.853487
  C      -5.819979     -3.624041      4.720175
  C      -5.800243     -2.578102      5.694954
  C      -6.779249     -1.618861      5.795182
  Cl     -6.566753     -0.392103      7.008886
  C      -7.899288     -1.604245      4.914506
  C      -8.980805     -0.625983      4.918662
  O      -9.259146      0.187076      5.803968
  C      -9.858451     -0.455326      3.672828
  O      -9.416017     -0.310663      2.547253
  C      -7.940473     -2.639799      3.974169
  C      -6.964187     -3.629846      3.837958
  C      -7.124116     -4.473175      2.639140
  O      -8.176998     -4.623362      2.028100
  C      -2.013245     -6.000440      7.198866
  C      -1.391393     -7.149359      7.799662
  C      -1.651832     -7.536581      9.092569
  Cl     -0.813596     -8.942298      9.664851
  C      -2.519557     -6.797117      9.965342
  C      -2.938437     -7.235020     11.299120
  O      -2.856042     -8.380112     11.744820
  C      -3.492249     -6.218742     12.316456
  O      -3.189596     -5.045294     12.387610
  C      -3.001752     -5.600598      9.446896
  C      -2.760040     -5.178133      8.127960
  C      -3.121928     -3.862221      7.798048
  O      -2.920782     -3.284201      6.692788
  H      -4.396787     -3.143895      0.199164
  H      -8.469302      2.035858      1.823688
  H      -5.540408      0.519905      3.316443
  H      -3.841276     -0.036084      4.759268
  H      -4.966493     -2.545040      6.389578
  H     -10.931198     -0.263856      3.915733
  H      -8.758540     -2.676634      3.254161
  H      -6.200597     -4.940037      2.237856
  H      -0.688350     -7.763032      7.244581
  H      -4.113319     -6.729571     13.092246
  H      -3.595876     -4.945523     10.083472
  H      -3.582108     -3.240706      8.585740
  N      -0.879364     -3.521823      4.478866
  N       0.266614     -3.216404      4.171698
  H       0.927717     -3.228627      4.972160
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.018873337798
  N      -3.072402     -3.295621      2.595614
  C      -2.475312     -4.101114      1.531734
  C      -1.829391     -5.333116      2.121873
  N      -2.609134     -5.743394      3.319060
  C      -4.037049     -6.059811      2.994635
  C      -4.885926     -5.823030      4.232988
  N      -4.722901     -4.463105      4.742248
  Mo     -2.585357     -3.905310      4.690993
  N      -1.905844     -5.665976      5.887665
  C      -1.063455     -6.496732      5.032605
  C      -1.967047     -6.947334      3.919736
  H      -0.650233     -7.379705      5.531273
  H      -0.213892     -5.905640      4.656339
  H      -2.752434     -7.582415      4.348653
  H      -1.446725     -7.519528      3.137304
  H      -5.935371     -6.077709      4.021148
  H      -4.553484     -6.517895      5.026001
  H      -4.363749     -5.403770      2.183282
  H      -4.105788     -7.101299      2.641346
  H      -1.736765     -3.512406      0.962320
  H      -3.237296     -4.428842      0.809527
  H      -0.801150     -5.140766      2.452357
  H      -1.812722     -6.154957      1.387086
  C      -3.984740     -2.383487      2.204907
  C      -4.627363     -2.406598      0.925800
  C      -5.615446     -1.508713      0.575682
  Cl     -6.432564     -1.816915     -0.919819
  C      -5.999521     -0.413955      1.413529
  C      -6.978544      0.615344      1.044461
  O      -7.447644      0.784958     -0.081216
  C      -7.476059      1.663526      2.052156
  O      -6.803548      2.238248      2.886967
  C      -5.330834     -0.340303      2.633844
  C      -4.368996     -1.273625      3.042665
  C      -3.675927     -1.007771      4.244352
  O      -2.877727     -1.789299      4.819555
  C      -5.776353     -3.600531      4.739946
  C      -5.754248     -2.560876      5.721523
  C      -6.744217     -1.615165      5.843051
  Cl     -6.529217     -0.395602      7.063717
  C      -7.877630     -1.608356      4.980104
  C      -8.971212     -0.644349      5.010066
  O      -9.247416      0.154633      5.908669
  C      -9.868757     -0.471662      3.778816
  O      -9.447535     -0.321414      2.645941
  C      -7.917265     -2.633686      4.028233
  C      -6.928772     -3.607526      3.868840
  C      -7.076935     -4.424122      2.650530
  O      -8.130924     -4.594294      2.047501
  C      -2.028845     -5.990534      7.178574
  C      -1.469947     -7.172335      7.775543
  C      -1.768498     -7.560773      9.059938
  Cl     -1.008595     -9.012536      9.626939
  C      -2.614496     -6.790722      9.927732
  C      -3.070345     -7.220980     11.252252
  O      -3.045041     -8.372260     11.688464
  C      -3.596419     -6.189719     12.269366
  O      -3.238751     -5.033146     12.358870
  C      -3.038704     -5.570917      9.413100
  C      -2.760624     -5.148665      8.101315
  C      -3.065387     -3.817013      7.774916
  O      -2.836800     -3.244715      6.671596
  H      -4.410806     -3.189385      0.204785
  H      -8.522417      1.966068      1.814257
  H      -5.545641      0.497784      3.296655
  H      -3.811220     -0.018599      4.714469
  H      -4.912509     -2.520610      6.405177
  H     -10.940108     -0.297067      4.039449
  H      -8.742381     -2.671569      3.316018
  H      -6.140109     -4.842892      2.226787
  H      -0.792462     -7.816230      7.222540
  H      -4.243722     -6.681234     13.036045
  H      -3.614872     -4.896843     10.046284
  H      -3.502426     -3.179492      8.562747
  N      -0.832894     -3.510337      4.443274
  N       0.310539     -3.209596      4.121814
  H       0.981755     -3.225197      4.913737
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.019922672112
  N      -3.043914     -3.291843      2.583524
  C      -2.447295     -4.097019      1.519612
  C      -1.805176     -5.333181      2.108383
  N      -2.576283     -5.735484      3.312780
  C      -4.007068     -6.049277      3.003521
  C      -4.844963     -5.800035      4.246803
  N      -4.675374     -4.436988      4.747350
  Mo     -2.539381     -3.885486      4.676708
  N      -1.881243     -5.641668      5.874778
  C      -1.031801     -6.473810      5.029196
  C      -1.931392     -6.936505      3.916907
  H      -0.605187     -7.344685      5.536828
  H      -0.189276     -5.876379      4.648483
  H      -2.714815     -7.572769      4.347886
  H      -1.408449     -7.509445      3.137113
  H      -5.896771     -6.052469      4.045439
  H      -4.509039     -6.490856      5.041711
  H      -4.338974     -5.401762      2.187867
  H      -4.081984     -7.094259      2.661726
  H      -1.705522     -3.508579      0.954385
  H      -3.208058     -4.420230      0.794409
  H      -0.773207     -5.146286      2.429947
  H      -1.798940     -6.156575      1.375138
  C      -3.972382     -2.393754      2.197941
  C      -4.635479     -2.435797      0.930540
  C      -5.638785     -1.551427      0.587750
  Cl     -6.477465     -1.885440     -0.889674
  C      -6.016869     -0.449895      1.419443
  C      -7.010607      0.567166      1.054496
  O      -7.505257      0.714385     -0.062869
  C      -7.505797      1.620742      2.059932
  O      -6.839961      2.188668      2.904140
  C      -5.327155     -0.357173      2.626897
  C      -4.351415     -1.278207      3.030065
  C      -3.640624     -0.993173      4.217403
  O      -2.829977     -1.762206      4.791779
  C      -5.735468     -3.581875      4.761765
  C      -5.712798     -2.540431      5.741915
  C      -6.716052     -1.610043      5.877512
  Cl     -6.500848     -0.388071      7.095616
  C      -7.862544     -1.621721      5.033088
  C      -8.968877     -0.673794      5.081413
  O      -9.242976      0.121529      5.983667
  C      -9.895357     -0.518342      3.869019
  O      -9.502618     -0.369523      2.725973
  C      -7.900335     -2.645975      4.080021
  C      -6.898874     -3.603338      3.905590
  C      -7.040766     -4.413598      2.682832
  O      -8.096153     -4.608050      2.090570
  C      -2.048217     -5.981726      7.156427
  C      -1.563307     -7.200109      7.741864
  C      -1.898612     -7.588214      9.017617
  Cl     -1.232971     -9.091017      9.570326
  C      -2.710055     -6.783221      9.886714
  C      -3.198599     -7.201729     11.203614
  O      -3.234373     -8.355942     11.630644
  C      -3.681115     -6.153063     12.224818
  O      -3.274159     -5.013323     12.319642
  C      -3.068585     -5.538853      9.381134
  C      -2.756630     -5.118319      8.076619
  C      -2.999355     -3.771584      7.756538
  O      -2.749543     -3.206588      6.653872
  H      -4.423781     -3.223819      0.213921
  H      -8.551801      1.921711      1.818829
  H      -5.536674      0.487544      3.283142
  H      -3.773359      0.002912      4.673969
  H      -4.862831     -2.484495      6.412711
  H     -10.961962     -0.355130      4.154543
  H      -8.735168     -2.694655      3.379143
  H      -6.095132     -4.799654      2.246683
  H      -0.924050     -7.878883      7.185750
  H      -4.369749     -6.612670     12.975182
  H      -3.618486     -4.843519     10.014897
  H      -3.404035     -3.118008      8.547937
  N      -0.788356     -3.497996      4.407006
  N       0.349617     -3.198504      4.064466
  H       1.036292     -3.216749      4.842921
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.020931747970
  N      -3.016779     -3.285546      2.571640
  C      -2.418510     -4.090209      1.507734
  C      -1.780316     -5.331296      2.094400
  N      -2.543329     -5.728826      3.304278
  C      -3.976220     -6.042242      3.009941
  C      -4.803851     -5.784032      4.259318
  N      -4.629855     -4.417879      4.751177
  Mo     -2.496430     -3.867300      4.662578
  N      -1.860302     -5.615366      5.862286
  C      -1.001545     -6.448285      5.026617
  C      -1.893440     -6.925774      3.912848
  H      -0.560172     -7.303660      5.546708
  H      -0.166377     -5.843996      4.641608
  H      -2.674282     -7.565881      4.342920
  H      -1.364038     -7.497643      3.136821
  H      -5.858030     -6.036131      4.069983
  H      -4.461973     -6.470933      5.054944
  H      -4.314880     -5.402038      2.191597
  H      -4.054976     -7.089900      2.676985
  H      -1.672614     -3.501816      0.948044
  H      -3.176571     -4.408243      0.777937
  H      -0.745129     -5.149383      2.408572
  H      -1.781919     -6.154498      1.360756
  C      -3.957863     -2.397309      2.189859
  C      -4.633964     -2.449609      0.930505
  C      -5.649051     -1.574846      0.595290
  Cl     -6.500476     -1.922609     -0.870748
  C      -6.026760     -0.473578      1.427174
  C      -7.036655      0.530772      1.072161
  O      -7.547317      0.672723     -0.038379
  C      -7.530367      1.582928      2.082184
  O      -6.867201      2.149538      2.928960
  C      -5.321556     -0.368540      2.624766
  C      -4.333804     -1.279462      3.020497
  C      -3.607736     -0.979316      4.195055
  O      -2.786792     -1.738266      4.767227
  C      -5.696808     -3.571100      4.782478
  C      -5.666253     -2.518787      5.750586
  C      -6.680458     -1.600966      5.897340
  Cl     -6.456128     -0.364851      7.098942
  C      -7.843955     -1.638229      5.078169
  C      -8.961424     -0.705212      5.142146
  O      -9.227141      0.099740      6.038001
  C      -9.920075     -0.574553      3.950904
  O      -9.558484     -0.448017      2.794987
  C      -7.887986     -2.672275      4.136294
  C      -6.877899     -3.617969      3.951469
  C      -7.032048     -4.448941      2.744480
  O      -8.094189     -4.658462      2.170243
  C      -2.074184     -5.971789      7.133303
  C      -1.668120     -7.224611      7.702630
  C      -2.039543     -7.610310      8.969726
  Cl     -1.477298     -9.161310      9.503502
  C      -2.810369     -6.770998      9.843282
  C      -3.328533     -7.175866     11.153372
  O      -3.427730     -8.329963     11.570165
  C      -3.761319     -6.111924     12.181463
  O      -3.287479     -5.000034     12.294155
  C      -3.100976     -5.504155      9.349270
  C      -2.756982     -5.086903      8.052050
  C      -2.936435     -3.727135      7.739254
  O      -2.668067     -3.170907      6.636646
  H      -4.424909     -3.239065      0.215087
  H      -8.570350      1.894339      1.828399
  H      -5.528754      0.477987      3.279598
  H      -3.737950      0.022811      4.639252
  H      -4.803038     -2.441876      6.401565
  H     -10.982318     -0.430454      4.261905
  H      -8.738363     -2.739642      3.455485
  H      -6.086817     -4.816907      2.291309
  H      -1.073880     -7.937397      7.139801
  H      -4.471378     -6.543835     12.928341
  H      -3.621482     -4.788423      9.985311
  H      -3.303580     -3.058518      8.535863
  N      -0.748442     -3.483975      4.372438
  N       0.381785     -3.181141      4.006073
  H       1.085893     -3.200455      4.768721
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.022001338592
  N      -2.988992     -3.283104      2.558108
  C      -2.387524     -4.087163      1.495246
  C      -1.751045     -5.330370      2.081559
  N      -2.506578     -5.722864      3.297018
  C      -3.942106     -6.036154      3.015559
  C      -4.760048     -5.770204      4.270188
  N      -4.583141     -4.400641      4.753473
  Mo     -2.452737     -3.849771      4.646922
  N      -1.836778     -5.588818      5.849699
  C      -0.968544     -6.425256      5.027743
  C      -1.851353     -6.915538      3.911063
  H      -0.517775     -7.267625      5.562029
  H      -0.138021     -5.815891      4.640907
  H      -2.630416     -7.558964      4.339426
  H      -1.314843     -7.486577      3.139285
  H      -5.815717     -6.023831      4.091253
  H      -4.411803     -6.453220      5.066589
  H      -4.286845     -5.401692      2.194584
  H      -4.025277     -7.086017      2.690792
  H      -1.638521     -3.498253      0.940146
  H      -3.142162     -4.403024      0.761688
  H      -0.713130     -5.151315      2.388647
  H      -1.759352     -6.154807      1.349223
  C      -3.945515     -2.408421      2.181193
  C      -4.637655     -2.475359      0.931388
  C      -5.669219     -1.616019      0.606222
  Cl     -6.535656     -1.982097     -0.846372
  C      -6.051653     -0.517300      1.439354
  C      -7.083889      0.468146      1.096197
  O      -7.608668      0.601194     -0.009025
  C      -7.578903      1.517598      2.110252
  O      -6.921784      2.080981      2.963718
  C      -5.328960     -0.394817      2.624872
  C      -4.322845     -1.289690      3.010459
  C      -3.581353     -0.970533      4.170683
  O      -2.746279     -1.715996      4.739446
  C      -5.653164     -3.559447      4.800472
  C      -5.615567     -2.507011      5.766923
  C      -6.637075     -1.599805      5.930860
  Cl     -6.405362     -0.362738      7.129974
  C      -7.813564     -1.648499      5.130704
  C      -8.939290     -0.727236      5.214692
  O      -9.198225      0.075550      6.114797
  C      -9.920217     -0.605259      4.040238
  O      -9.580026     -0.467990      2.879002
  C      -7.861954     -2.681708      4.187633
  C      -6.845184     -3.616161      3.986326
  C      -7.002836     -4.443652      2.777036
  O      -8.069715     -4.675364      2.220453
  C      -2.101942     -5.958123      7.107859
  C      -1.773982     -7.239623      7.660695
  C      -2.182462     -7.621991      8.917937
  Cl     -1.722945     -9.212979      9.430944
  C      -2.915242     -6.753013      9.795058
  C      -3.464036     -7.144169     11.097097
  O      -3.622333     -8.295294     11.503201
  C      -3.847535     -6.069316     12.133652
  O      -3.321542     -4.982297     12.256748
  C      -3.138935     -5.467676      9.313036
  C      -2.762024     -5.054031      8.024025
  C      -2.878952     -3.684577      7.718893
  O      -2.588956     -3.136870      6.617308
  H      -4.429077     -3.266057      0.217066
  H      -8.619240      1.826589      1.854075
  H      -5.538381      0.452365      3.278056
  H      -3.713987      0.035953      4.604173
  H      -4.742325     -2.420701      6.404306
  H     -10.976142     -0.461742      4.372738
  H      -8.721255     -2.755650      3.519641
  H      -6.056977     -4.798077      2.313141
  H      -1.222678     -7.980246      7.089139
  H      -4.592771     -6.466369     12.865397
  H      -3.631928     -4.734753      9.951286
  H      -3.211959     -3.003441      8.519984
  N      -0.708043     -3.468567      4.336756
  N       0.414811     -3.163129      3.949303
  H       1.133556     -3.184019      4.698090
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.023066165982
  N      -2.968368     -3.280715      2.550333
  C      -2.363004     -4.085007      1.489303
  C      -1.724851     -5.328294      2.075092
  N      -2.471555     -5.717455      3.295727
  C      -3.908912     -6.033630      3.025802
  C      -4.718286     -5.764596      4.285967
  N      -4.543718     -4.391310      4.760117
  Mo     -2.417002     -3.829827      4.636149
  N      -1.818699     -5.555375      5.840880
  C      -0.941917     -6.401941      5.040273
  C      -1.810334     -6.904406      3.917868
  H      -0.489159     -7.230283      5.598637
  H      -0.111365     -5.792093      4.653840
  H      -2.589345     -7.551611      4.340686
  H      -1.263032     -7.474304      3.152710
  H      -5.774275     -6.024860      4.118002
  H      -4.360439     -6.442665      5.082518
  H      -4.260171     -5.402022      2.204128
  H      -3.994462     -7.084676      2.705689
  H      -1.611562     -3.495453      0.937843
  H      -3.114298     -4.399684      0.752276
  H      -0.684434     -5.149426      2.374305
  H      -1.737804     -6.153798      1.343788
  C      -3.936005     -2.417220      2.175595
  C      -4.637204     -2.496381      0.931441
  C      -5.680805     -1.650151      0.612115
  Cl     -6.552733     -2.025679     -0.835224
  C      -6.071720     -0.555316      1.446926
  C      -7.122618      0.412860      1.113340
  O      -7.662039      0.535510      0.013479
  C      -7.626721      1.454280      2.132546
  O      -6.980692      2.010250      2.999410
  C      -5.339433     -0.418109      2.624987
  C      -4.317970     -1.298461      3.003571
  C      -3.566564     -0.962266      4.153036
  O      -2.719899     -1.695778      4.720139
  C      -5.615208     -3.554513      4.816996
  C      -5.567798     -2.499188      5.777560
  C      -6.590988     -1.596213      5.953550
  Cl     -6.349721     -0.355522      7.146775
  C      -7.778252     -1.651904      5.168545
  C      -8.906421     -0.734956      5.264839
  O      -9.156041      0.070881      6.165749
  C      -9.910397     -0.628350      4.108305
  O      -9.591771     -0.485457      2.941663
  C      -7.834859     -2.688992      4.229135
  C      -6.816703     -3.619381      4.017793
  C      -6.986113     -4.452734      2.813372
  O      -8.059943     -4.693840      2.273621
  C      -2.138702     -5.938259      7.082722
  C      -1.889908     -7.247594      7.605243
  C      -2.327593     -7.632339      8.852946
  Cl     -1.973074     -9.260459      9.329261
  C      -3.011962     -6.739672      9.744404
  C      -3.579196     -7.120068     11.042114
  O      -3.797025     -8.266142     11.434086
  C      -3.904439     -6.040779     12.094191
  O      -3.318692     -4.987058     12.234571
  C      -3.170586     -5.435900      9.283393
  C      -2.769892     -5.020542      8.002630
  C      -2.825349     -3.644071      7.709775
  O      -2.522432     -3.102777      6.608727
  H      -4.425861     -3.287938      0.218331
  H      -8.673730      1.747002      1.883378
  H      -5.554563      0.427766      3.277872
  H      -3.704283      0.047278      4.577300
  H      -4.685018     -2.407847      6.403060
  H     -10.958177     -0.476196      4.462486
  H      -8.701582     -2.767895      3.572822
  H      -6.046311     -4.813972      2.341751
  H      -1.386813     -8.006744      7.011686
  H      -4.670670     -6.407374     12.820018
  H      -3.630258     -4.690884      9.932053
  H      -3.117482     -2.954595      8.519998
  N      -0.678105     -3.444207      4.305859
  N       0.433528     -3.130157      3.892119
  H       1.169234     -3.149045      4.624257
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.023975064699
  N      -2.946342     -3.280609      2.542176
  C      -2.337509     -4.082899      1.481674
  C      -1.694279     -5.324370      2.066722
  N      -2.431003     -5.710472      3.293677
  C      -3.870116     -6.028646      3.035078
  C      -4.671700     -5.756837      4.299662
  N      -4.498296     -4.381669      4.768716
  Mo     -2.375192     -3.810698      4.623499
  N      -1.792610     -5.523565      5.830580
  C      -0.907234     -6.378823      5.049778
  C      -1.762951     -6.891831      3.921276
  H      -0.456015     -7.196372      5.626923
  H      -0.076066     -5.768144      4.665692
  H      -2.540870     -7.544270      4.338361
  H      -1.205722     -7.458368      3.160943
  H      -5.727714     -6.021551      4.139203
  H      -4.306873     -6.431709      5.095701
  H      -4.226285     -5.398548      2.214073
  H      -3.958732     -7.080450      2.718347
  H      -1.586809     -3.490733      0.931877
  H      -3.086763     -4.398910      0.743345
  H      -0.651648     -5.143778      2.357070
  H      -1.711833     -6.151937      1.337746
  C      -3.928779     -2.433239      2.172773
  C      -4.644702     -2.530957      0.938261
  C      -5.704714     -1.703016      0.628000
  Cl     -6.588592     -2.098259     -0.807659
  C      -6.102436     -0.609435      1.462311
  C      -7.172642      0.340683      1.137700
  O      -7.726609      0.447554      0.043001
  C      -7.681134      1.379300      2.157762
  O      -7.033207      1.951586      3.012551
  C      -5.355749     -0.452108      2.629016
  C      -4.315434     -1.314285      2.998499
  C      -3.550931     -0.958142      4.134232
  O      -2.687497     -1.677226      4.695471
  C      -5.571183     -3.548088      4.837884
  C      -5.510639     -2.488216      5.791827
  C      -6.532722     -1.587267      5.981483
  Cl     -6.276919     -0.341111      7.165858
  C      -7.734112     -1.650527      5.218019
  C      -8.866398     -0.741007      5.334706
  O      -9.100882      0.065925      6.238927
  C      -9.893960     -0.644862      4.198615
  O      -9.601414     -0.512501      3.023977
  C      -7.801895     -2.690053      4.281231
  C      -6.783138     -3.616599      4.055312
  C      -6.966723     -4.448271      2.851649
  O      -8.048372     -4.695965      2.330389
  C      -2.169947     -5.915817      7.053851
  C      -1.998380     -7.245967      7.550491
  C      -2.474106     -7.631671      8.784446
  Cl     -2.220904     -9.287200      9.228191
  C      -3.121057     -6.720051      9.683757
  C      -3.716919     -7.090920     10.971704
  O      -3.991020     -8.230298     11.346981
  C      -3.994003     -6.012686     12.038731
  O      -3.356062     -4.992855     12.199911
  C      -3.213462     -5.402221      9.242956
  C      -2.779624     -4.985433      7.973926
  C      -2.771155     -3.603958      7.695273
  O      -2.447077     -3.068913      6.597110
  H      -4.430663     -3.324310      0.227544
  H      -8.722217      1.679780      1.894682
  H      -5.575993      0.394262      3.279471
  H      -3.694883      0.053574      4.551170
  H      -4.617867     -2.392079      6.401977
  H     -10.936581     -0.504272      4.572219
  H      -8.678286     -2.773111      3.638424
  H      -6.034197     -4.806479      2.363871
  H      -1.532498     -8.016508      6.941061
  H      -4.786596     -6.348506     12.750944
  H      -3.646486     -4.648010      9.899159
  H      -3.030255     -2.909073      8.512237
  N      -0.641780     -3.421200      4.272311
  N       0.460734     -3.102701      3.836890
  H       1.210079     -3.122632      4.555045
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.024724230252
  N      -2.927954     -3.281853      2.534279
  C      -2.317418     -4.083177      1.473965
  C      -1.670638     -5.324058      2.058123
  N      -2.396132     -5.704993      3.292799
  C      -3.837376     -6.023922      3.048754
  C      -4.627594     -5.749929      4.319839
  N      -4.455255     -4.373245      4.783056
  Mo     -2.334599     -3.792119      4.610607
  N      -1.764838     -5.490968      5.820738
  C      -0.875523     -6.357659      5.058153
  C      -1.721644     -6.880636      3.924863
  H      -0.430809     -7.165909      5.653262
  H      -0.041561     -5.750100      4.675264
  H      -2.497686     -7.538760      4.336862
  H      -1.155968     -7.443356      3.168239
  H      -5.683660     -6.019607      4.169826
  H      -4.253345     -6.420947      5.114578
  H      -4.200583     -5.394464      2.230714
  H      -3.929708     -7.076204      2.734524
  H      -1.567170     -3.489417      0.925388
  H      -3.065566     -4.399248      0.734725
  H      -0.625280     -5.143568      2.338306
  H      -1.695032     -6.153904      1.331833
  C      -3.920193     -2.445417      2.168822
  C      -4.648983     -2.558287      0.943059
  C      -5.718696     -1.741333      0.638700
  Cl     -6.614053     -2.153722     -0.785390
  C      -6.116740     -0.645147      1.470065
  C      -7.199307      0.293732      1.152938
  O      -7.762822      0.391703      0.062290
  C      -7.697028      1.341988      2.168270
  O      -7.047681      1.903246      3.029327
  C      -5.356873     -0.471653      2.626064
  C      -4.305497     -1.322878      2.990114
  C      -3.530280     -0.952252      4.114428
  O      -2.654636     -1.661090      4.670737
  C      -5.532603     -3.545910      4.862812
  C      -5.467204     -2.480174      5.810703
  C      -6.493654     -1.587138      6.011669
  Cl     -6.231885     -0.333016      7.186095
  C      -7.706423     -1.664832      5.267579
  C      -8.847188     -0.768448      5.402572
  O      -9.070483      0.040812      6.307286
  C      -9.896027     -0.687141      4.285415
  O      -9.627815     -0.558580      3.104544
  C      -7.778703     -2.708516      4.335669
  C      -6.755229     -3.627341      4.098169
  C      -6.951636     -4.466072      2.901529
  O      -8.039456     -4.712706      2.392596
  C      -2.198366     -5.889606      7.023982
  C      -2.101799     -7.235833      7.494327
  C      -2.615522     -7.620482      8.713523
  Cl     -2.462641     -9.296486      9.123929
  C      -3.225607     -6.692251      9.620943
  C      -3.848953     -7.053764     10.898884
  O      -4.179517     -8.184202     11.254910
  C      -4.081092     -5.980586     11.981783
  O      -3.382771     -5.007071     12.175609
  C      -3.252403     -5.363875      9.201705
  C      -2.785497     -4.946795      7.945077
  C      -2.713031     -3.562533      7.681610
  O      -2.369092     -3.034574      6.586281
  H      -4.435766     -3.355154      0.236127
  H      -8.745434      1.631146      1.923244
  H      -5.577441      0.377655      3.272688
  H      -3.676344      0.061768      4.525059
  H      -4.567398     -2.374149      6.407045
  H     -10.933651     -0.559372      4.676770
  H      -8.664456     -2.802676      3.706645
  H      -6.026057     -4.815971      2.395475
  H      -1.669737     -8.013584      6.869495
  H      -4.885777     -6.296131     12.689573
  H      -3.659157     -4.602370      9.866366
  H      -2.937506     -2.864242      8.505722
  N      -0.607538     -3.400445      4.234571
  N       0.484985     -3.079325      3.775076
  H       1.249450     -3.101406      4.477069
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.025257803670
  N      -2.914230     -3.283595      2.530178
  C      -2.299409     -4.083412      1.470662
  C      -1.649572     -5.323862      2.054250
  N      -2.365677     -5.699842      3.295555
  C      -3.809011     -6.019116      3.063393
  C      -4.589995     -5.747732      4.341003
  N      -4.419877     -4.370751      4.801016
  Mo     -2.300917     -3.773774      4.600611
  N      -1.737015     -5.456115      5.814903
  C      -0.853046     -6.344430      5.073856
  C      -1.688327     -6.870711      3.932992
  H      -0.432923     -7.149629      5.692287
  H      -0.006512     -5.751728      4.695441
  H      -2.464563     -7.534634      4.335340
  H      -1.112718     -7.428946      3.180774
  H      -5.645544     -6.023152      4.199390
  H      -4.207218     -6.416477      5.133410
  H      -4.178341     -5.385400      2.251582
  H      -3.904232     -7.070284      2.746107
  H      -1.549166     -3.487250      0.924777
  H      -3.044962     -4.399333      0.728816
  H      -0.601948     -5.143584      2.325930
  H      -1.679636     -6.155669      1.330246
  C      -3.911710     -2.453692      2.166253
  C      -4.646111     -2.576045      0.944380
  C      -5.721731     -1.766909      0.642645
  Cl     -6.619416     -2.187670     -0.778179
  C      -6.124100     -0.671271      1.473023
  C      -7.218123      0.256560      1.161365
  O      -7.798698      0.336328      0.078015
  C      -7.730303      1.293744      2.179810
  O      -7.082132      1.872035      3.030581
  C      -5.358529     -0.487271      2.623777
  C      -4.298701     -1.329685      2.984918
  C      -3.518240     -0.949773      4.102650
  O      -2.632454     -1.651770      4.653120
  C      -5.499397     -3.546881      4.885800
  C      -5.424544     -2.471513      5.823045
  C      -6.449449     -1.579317      6.031003
  Cl     -6.174769     -0.313066      7.189186
  C      -7.672798     -1.666882      5.304959
  C      -8.817269     -0.776957      5.454615
  O      -9.027693      0.035384      6.359437
  C      -9.892887     -0.718211      4.362753
  O      -9.654328     -0.595927      3.174969
  C      -7.754910     -2.718931      4.383508
  C      -6.732762     -3.638687      4.139544
  C      -6.953226     -4.496048      2.960217
  O      -8.051832     -4.740125      2.472707
  C      -2.223278     -5.859142      6.997145
  C      -2.182602     -7.216667      7.438703
  C      -2.729448     -7.606416      8.642005
  Cl     -2.652524     -9.295456      9.017174
  C      -3.313355     -6.671086      9.558358
  C      -3.957979     -7.029933     10.826766
  O      -4.332389     -8.152496     11.163166
  C      -4.156025     -5.967566     11.927109
  O      -3.424260     -5.023019     12.139966
  C      -3.287556     -5.334146      9.164461
  C      -2.792365     -4.911012      7.921548
  C      -2.664610     -3.526426      7.675791
  O      -2.304030     -3.002671      6.584908
  H      -4.430098     -3.373966      0.239631
  H      -8.779582      1.576126      1.931624
  H      -5.582393      0.362154      3.269005
  H      -3.667179      0.064205      4.511898
  H      -4.516740     -2.359595      6.405691
  H     -10.922210     -0.593350      4.776202
  H      -8.650002     -2.822878      3.769131
  H      -6.042642     -4.871732      2.446334
  H      -1.766026     -7.989968      6.796957
  H      -4.988777     -6.254063     12.614483
  H      -3.674536     -4.572426      9.840859
  H      -2.854516     -2.829530      8.509599
  N      -0.580969     -3.377996      4.201430
  N       0.501562     -3.055635      3.718280
  H       1.280929     -3.083836      4.403408
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.025621368573
  N      -2.886925     -3.288471      2.515791
  C      -2.267861     -4.083271      1.455165
  C      -1.621167     -5.326854      2.039201
  N      -2.330717     -5.694893      3.287665
  C      -3.777242     -6.009717      3.067229
  C      -4.549068     -5.729899      4.348355
  N      -4.369998     -4.352387      4.806756
  Mo     -2.252822     -3.763055      4.580741
  N      -1.698484     -5.439108      5.802961
  C      -0.814419     -6.333390      5.069511
  C      -1.649495     -6.863522      3.926223
  H      -0.400178     -7.139796      5.689584
  H       0.034203     -5.744120      4.691625
  H      -2.421450     -7.532690      4.327867
  H      -1.070340     -7.417917      3.173968
  H      -5.606599     -5.999510      4.210957
  H      -4.167371     -6.399569      5.140726
  H      -4.150499     -5.378876      2.254916
  H      -3.878957     -7.062111      2.755971
  H      -1.516106     -3.483744      0.915333
  H      -3.009506     -4.397487      0.709200
  H      -0.571178     -5.151124      2.304553
  H      -1.660276     -6.161545      1.319088
  C      -3.901776     -2.474288      2.163005
  C      -4.656323     -2.613364      0.955344
  C      -5.750273     -1.822624      0.669442
  Cl     -6.666228     -2.269610     -0.731461
  C      -6.152574     -0.727660      1.500562
  C      -7.264988      0.183325      1.200919
  O      -7.861747      0.245562      0.125576
  C      -7.780030      1.215791      2.223214
  O      -7.135565      1.795302      3.075648
  C      -5.368086     -0.526398      2.635574
  C      -4.289397     -1.350811      2.982247
  C      -3.493623     -0.953507      4.083098
  O      -2.588120     -1.640520      4.620619
  C      -5.449429     -3.530512      4.906151
  C      -5.363911     -2.452418      5.839873
  C      -6.392211     -1.568380      6.066173
  Cl     -6.102336     -0.298032      7.216703
  C      -7.629807     -1.668266      5.366426
  C      -8.782925     -0.794675      5.547597
  O      -8.987167      0.002343      6.467005
  C      -9.888821     -0.750781      4.486056
  O      -9.687286     -0.631914      3.291132
  C      -7.718175     -2.716572      4.441667
  C      -6.691356     -3.625012      4.176336
  C      -6.913213     -4.470199      2.988732
  O      -8.012470     -4.730602      2.512025
  C      -2.230073     -5.839994      6.966226
  C      -2.240088     -7.199429      7.405117
  C      -2.837865     -7.576730      8.587714
  Cl     -2.822421     -9.268746      8.957938
  C      -3.424017     -6.627129      9.488618
  C      -4.118369     -6.972331     10.734670
  O      -4.538459     -8.084286     11.051562
  C      -4.320869     -5.908923     11.832989
  O      -3.562749     -4.993444     12.078239
  C      -3.345780     -5.290307      9.102807
  C      -2.800129     -4.877668      7.877723
  C      -2.618842     -3.495064      7.642851
  O      -2.217523     -2.982356      6.560271
  H      -4.441059     -3.411200      0.250255
  H      -8.833282      1.488304      1.980423
  H      -5.591898      0.325505      3.277646
  H      -3.646465      0.061156      4.489291
  H      -4.446369     -2.330321      6.405572
  H     -10.909146     -0.647841      4.927072
  H      -8.622069     -2.826456      3.841461
  H      -5.999194     -4.818143      2.459726
  H      -1.824103     -7.982905      6.775631
  H      -5.183290     -6.172902     12.492105
  H      -3.731042     -4.520329      9.770859
  H      -2.795659     -2.795243      8.477167
  N      -0.533829     -3.378887      4.162440
  N       0.549032     -3.069898      3.671446
  H       1.335303     -3.118086      4.347386
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.025872764315
  N      -2.874677     -3.292717      2.506813
  C      -2.249075     -4.085200      1.449000
  C      -1.610510     -5.333358      2.034015
  N      -2.317719     -5.692762      3.285495
  C      -3.765279     -6.004318      3.067850
  C      -4.534354     -5.723409      4.350259
  N      -4.353941     -4.345985      4.809921
  Mo     -2.235701     -3.753172      4.569410
  N      -1.679789     -5.422958      5.800119
  C      -0.804804     -6.329801      5.073544
  C      -1.636606     -6.858795      3.926859
  H      -0.407243     -7.139922      5.699396
  H       0.052678     -5.752847      4.697118
  H      -2.405866     -7.534997      4.321300
  H      -1.050160     -7.407001      3.175754
  H      -5.592045     -5.992815      4.215455
  H      -4.153029     -6.393524      5.142344
  H      -4.139480     -5.371461      2.257505
  H      -3.869237     -7.056153      2.755324
  H      -1.490414     -3.484588      0.920509
  H      -2.984540     -4.392788      0.694048
  H      -0.558604     -5.165018      2.296313
  H      -1.657966     -6.169314      1.315925
  C      -3.888413     -2.479127      2.150364
  C      -4.636935     -2.620515      0.939590
  C      -5.734971     -1.836344      0.650176
  Cl     -6.637811     -2.286929     -0.757894
  C      -6.150091     -0.749290      1.485402
  C      -7.281298      0.141805      1.196316
  O      -7.876443      0.207570      0.120426
  C      -7.798807      1.167729      2.224460
  O      -7.155284      1.743876      3.079727
  C      -5.365388     -0.540019      2.618720
  C      -4.280686     -1.355708      2.967037
  C      -3.491393     -0.955536      4.070758
  O      -2.583973     -1.639106      4.610606
  C      -5.434387     -3.526653      4.917258
  C      -5.349820     -2.458856      5.863903
  C      -6.381825     -1.583964      6.107363
  Cl     -6.092102     -0.329228      7.275308
  C      -7.622608     -1.681398      5.413438
  C      -8.779401     -0.817802      5.619501
  O      -8.967141     -0.021684      6.543170
  C      -9.896357     -0.760028      4.570266
  O      -9.710310     -0.630529      3.374026
  C      -7.709451     -2.716638      4.474374
  C      -6.679336     -3.616863      4.191895
  C      -6.902081     -4.448241      2.994824
  O      -8.000630     -4.696735      2.510319
  C      -2.236720     -5.822142      6.953579
  C      -2.271081     -7.182811      7.388040
  C      -2.890270     -7.556071      8.560941
  Cl     -2.905894     -9.249581      8.923704
  C      -3.473562     -6.601243      9.457197
  C      -4.186738     -6.941954     10.694028
  O      -4.621570     -8.050417     11.003021
  C      -4.377630     -5.883055     11.798617
  O      -3.599493     -4.988909     12.059500
  C      -3.369101     -5.264360      9.078726
  C      -2.802094     -4.855804      7.862526
  C      -2.594984     -3.476044      7.634031
  O      -2.182738     -2.965888      6.555487
  H      -4.413605     -3.416511      0.234806
  H      -8.854290      1.435864      1.986750
  H      -5.599235      0.308235      3.262231
  H      -3.651303      0.056671      4.480047
  H      -4.431496     -2.340041      6.428598
  H     -10.912013     -0.666262      5.024054
  H      -8.615386     -2.823963      3.876908
  H      -5.987169     -4.799280      2.468746
  H      -1.854538     -7.968318      6.762566
  H      -5.250525     -6.134179     12.448778
  H      -3.751193     -4.491714      9.745587
  H      -2.757627     -2.777781      8.472534
  N      -0.518386     -3.375464      4.139369
  N       0.562630     -3.075235      3.638680
  H       1.356765     -3.141157      4.303593
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.026016971121
  N      -2.859396     -3.293359      2.497068
  C      -2.228650     -4.082431      1.440005
  C      -1.603003     -5.339449      2.023153
  N      -2.306873     -5.691820      3.278564
  C      -3.755230     -6.001489      3.067545
  C      -4.519350     -5.716726      4.351953
  N      -4.334459     -4.338421      4.808508
  Mo     -2.215697     -3.748390      4.556095
  N      -1.663721     -5.416854      5.795035
  C      -0.795698     -6.330240      5.070449
  C      -1.626129     -6.857483      3.921235
  H      -0.406544     -7.144086      5.697295
  H       0.066864     -5.761417      4.693639
  H      -2.393543     -7.539158      4.309561
  H      -1.033649     -7.401003      3.171382
  H      -5.578216     -5.983406      4.221547
  H      -4.138303     -6.386418      5.144695
  H      -4.132162     -5.370082      2.257202
  H      -3.861133     -7.053844      2.757447
  H      -1.460919     -3.481734      0.925035
  H      -2.957795     -4.379344      0.674936
  H      -0.548157     -5.182693      2.280710
  H      -1.662415     -6.174909      1.305408
  C      -3.873992     -2.479791      2.141120
  C      -4.618330     -2.617351      0.928035
  C      -5.719673     -1.836232      0.640203
  Cl     -6.609685     -2.277326     -0.778504
  C      -6.142928     -0.758171      1.482866
  C      -7.286178      0.120364      1.202453
  O      -7.890722      0.180906      0.131739
  C      -7.823234      1.123212      2.244872
  O      -7.190085      1.702476      3.105654
  C      -5.358655     -0.548995      2.616399
  C      -4.269411     -1.359767      2.961498
  C      -3.480274     -0.958691      4.064451
  O      -2.567728     -1.639858      4.599033
  C      -5.415788     -3.520832      4.923355
  C      -5.325191     -2.448927      5.864826
  C      -6.361106     -1.582119      6.121847
  Cl     -6.062109     -0.323874      7.283863
  C      -7.611668     -1.692357      5.447913
  C      -8.773685     -0.841688      5.677405
  O      -8.954697     -0.051239      6.607340
  C      -9.918815     -0.802669      4.657551
  O      -9.765936     -0.659268      3.458302
  C      -7.702728     -2.727614      4.509808
  C      -6.668819     -3.618619      4.212238
  C      -6.897433     -4.450677      3.017063
  O      -7.997458     -4.690676      2.531954
  C      -2.237331     -5.811966      6.942086
  C      -2.284806     -7.170049      7.381715
  C      -2.925647     -7.534904      8.546062
  Cl     -2.956740     -9.226935      8.914712
  C      -3.518311     -6.573815      9.429266
  C      -4.256404     -6.906840     10.653610
  O      -4.710025     -8.009859     10.954739
  C      -4.461346     -5.843121     11.750868
  O      -3.678130     -4.957895     12.026635
  C      -3.394262     -5.238546      9.051049
  C      -2.803879     -4.838763      7.843420
  C      -2.572314     -3.461918      7.618710
  O      -2.140707     -2.958179      6.545545
  H      -4.388688     -3.407438      0.218646
  H      -8.881758      1.378383      2.006596
  H      -5.597359      0.294997      3.263720
  H      -3.642755      0.051814      4.476697
  H      -4.400210     -2.320337      6.415770
  H     -10.919182     -0.696148      5.141335
  H      -8.615841     -2.842284      3.924665
  H      -5.983662     -4.783358      2.477539
  H      -1.860502     -7.962292      6.769871
  H      -5.354776     -6.078412     12.378621
  H      -3.779371     -4.460619      9.710067
  H      -2.727381     -2.763208      8.458397
  N      -0.496208     -3.387739      4.120835
  N       0.588306     -3.103406      3.618370
  H       1.385250     -3.193155      4.276952
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.025987333444
  N      -2.848421     -3.290723      2.490427
  C      -2.207800     -4.074372      1.434902
  C      -1.599958     -5.343470      2.013943
  N      -2.302554     -5.690399      3.271316
  C      -3.751579     -5.997358      3.063975
  C      -4.512262     -5.712029      4.350571
  N      -4.324079     -4.333064      4.805248
  Mo     -2.204574     -3.743715      4.545434
  N      -1.657169     -5.413013      5.791905
  C      -0.797215     -6.332952      5.068302
  C      -1.623868     -6.857213      3.915505
  H      -0.415939     -7.149875      5.697228
  H       0.071164     -5.772887      4.691442
  H      -2.390864     -7.544736      4.294315
  H      -1.023120     -7.395447      3.168242
  H      -5.572155     -5.976681      4.224375
  H      -4.131057     -6.382365      5.142895
  H      -4.129840     -5.364991      2.254523
  H      -3.859104     -7.049303      2.753099
  H      -1.426471     -3.473831      0.940475
  H      -2.926563     -4.355928      0.654993
  H      -0.541868     -5.202270      2.267582
  H      -1.672950     -6.176133      1.294169
  C      -3.860672     -2.474114      2.132246
  C      -4.592045     -2.599354      0.910646
  C      -5.693689     -1.818447      0.621338
  Cl     -6.555729     -2.233273     -0.821930
  C      -6.131986     -0.756208      1.476696
  C      -7.287891      0.108693      1.206173
  O      -7.901262      0.167693      0.140595
  C      -7.850860      1.079576      2.267222
  O      -7.235689      1.650106      3.146643
  C      -5.355878     -0.554201      2.617078
  C      -4.263484     -1.361469      2.959992
  C      -3.479220     -0.963155      4.066946
  O      -2.564059     -1.644316      4.598013
  C      -5.404989     -3.515443      4.925525
  C      -5.303741     -2.435519      5.855950
  C      -6.338590     -1.569279      6.120665
  Cl     -6.024937     -0.304282      7.271401
  C      -7.598238     -1.688250      5.464565
  C      -8.759352     -0.840366      5.707277
  O      -8.930865     -0.045087      6.634968
  C      -9.932773     -0.824285      4.718452
  O      -9.816231     -0.727351      3.510576
  C      -7.698066     -2.728473      4.533234
  C      -6.665403     -3.617863      4.226645
  C      -6.902422     -4.455774      3.037240
  O      -8.006304     -4.718706      2.573086
  C      -2.241909     -5.804658      6.934827
  C      -2.299024     -7.160637      7.376420
  C      -2.952625     -7.519626      8.536373
  Cl     -2.994849     -9.210616      8.908095
  C      -3.548243     -6.554460      9.412830
  C      -4.302029     -6.881223     10.629304
  O      -4.771483     -7.978911     10.925297
  C      -4.514422     -5.813060     11.720572
  O      -3.726610     -4.934584     12.004847
  C      -3.408360     -5.219939      9.036132
  C      -2.804352     -4.827026      7.833457
  C      -2.552457     -3.452864      7.612130
  O      -2.110496     -2.952615      6.542648
  H      -4.350395     -3.377494      0.192301
  H      -8.920176      1.300524      2.043065
  H      -5.603031      0.281497      3.271909
  H      -3.647007      0.043775      4.485171
  H      -4.371895     -2.300161      6.393492
  H     -10.922359     -0.741590      5.228764
  H      -8.617647     -2.846943      3.958739
  H      -5.992150     -4.825230      2.516513
  H      -1.871599     -7.958708      6.773429
  H      -5.426494     -6.029453     12.328020
  H      -3.791625     -4.437709      9.691128
  H      -2.697951     -2.755283      8.454915
  N      -0.482607     -3.401777      4.108800
  N       0.605697     -3.134214      3.604858
  H       1.404174     -3.245644      4.258104
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670595-OgK2/orca E -7753.026156221251
  N      -2.850062     -3.292670      2.488380
  C      -2.203473     -4.074592      1.435200
  C      -1.593532     -5.340416      2.017161
  N      -2.303789     -5.689172      3.269938
  C      -3.752390     -5.992249      3.050475
  C      -4.521805     -5.711354      4.332332
  N      -4.332617     -4.336245      4.797414
  Mo     -2.212790     -3.746301      4.545437
  N      -1.667211     -5.418638      5.792435
  C      -0.804958     -6.337903      5.070311
  C      -1.630966     -6.858748      3.916171
  H      -0.425121     -7.156622      5.698231
  H       0.064807     -5.777208      4.696985
  H      -2.403532     -7.540010      4.295219
  H      -1.032411     -7.402067      3.170782
  H      -5.581521     -5.972229      4.195258
  H      -4.148090     -6.387681      5.123046
  H      -4.121764     -5.354403      2.240943
  H      -3.861238     -7.042310      2.733953
  H      -1.422640     -3.472569      0.941585
  H      -2.919477     -4.360224      0.654472
  H      -0.537187     -5.196182      2.276324
  H      -1.660817     -6.173856      1.297744
  C      -3.864670     -2.481294      2.127950
  C      -4.594259     -2.609681      0.904918
  C      -5.697566     -1.832981      0.614350
  Cl     -6.559292     -2.251439     -0.828940
  C      -6.141499     -0.771788      1.468871
  C      -7.294826      0.094867      1.192848
  O      -7.894731      0.161531      0.119691
  C      -7.851953      1.076718      2.245547
  O      -7.231029      1.653641      3.116942
  C      -5.369212     -0.567288      2.611493
  C      -4.274131     -1.370837      2.955342
  C      -3.490650     -0.968804      4.062345
  O      -2.572195     -1.646722      4.592749
  C      -5.410755     -3.516558      4.923482
  C      -5.308176     -2.447200      5.864960
  C      -6.340149     -1.580141      6.136582
  Cl     -6.026376     -0.325129      7.298052
  C      -7.599447     -1.688195      5.476919
  C      -8.760082     -0.841202      5.725993
  O      -8.932493     -0.060126      6.665745
  C      -9.919984     -0.798836      4.722743
  O      -9.786401     -0.667166      3.519957
  C      -7.700103     -2.718457      4.533666
  C      -6.668783     -3.607103      4.220338
  C      -6.902994     -4.425940      3.017314
  O      -8.005949     -4.673375      2.542082
  C      -2.240737     -5.806723      6.941214
  C      -2.280397     -7.161148      7.389950
  C      -2.926121     -7.522479      8.553342
  Cl     -2.941709     -9.211358      8.936475
  C      -3.531786     -6.560462      9.426192
  C      -4.281295     -6.889827     10.644373
  O      -4.732628     -7.993070     10.948032
  C      -4.499734     -5.820970     11.733644
  O      -3.718584     -4.935705     12.015215
  C      -3.408530     -5.226005      9.042578
  C      -2.811686     -4.830824      7.836718
  C      -2.573816     -3.455361      7.610658
  O      -2.130807     -2.955056      6.541061
  H      -4.348696     -3.386549      0.186473
  H      -8.915775      1.312511      2.011742
  H      -5.620550      0.267676      3.265569
  H      -3.662417      0.037212      4.480973
  H      -4.376331     -2.321079      6.405528
  H     -10.914713     -0.709568      5.221705
  H      -8.618223     -2.828040      3.955554
  H      -5.992190     -4.766894      2.478021
  H      -1.842867     -7.955650      6.788972
  H      -5.401066     -6.051864     12.351671
  H      -3.798661     -4.445510      9.695441
  H      -2.734582     -2.755025      8.448550
  N      -0.489173     -3.399693      4.119064
  N       0.604409     -3.132058      3.626776
  H       1.394408     -3.239857      4.291027
