93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.816605666679
  N      -3.622057     -3.554350      2.142430
  C      -3.158072     -4.433726      1.093194
  C      -2.646735     -5.740090      1.703975
  N      -3.507972     -6.151642      2.806710
  C      -4.737820     -6.772000      2.327325
  C      -5.845877     -6.622469      3.373314
  N      -5.814667     -5.281339      3.914478
  Mo     -4.055154     -4.417486      3.844382
  N      -2.518494     -4.901013      4.976910
  C      -1.884354     -6.158792      4.649256
  C      -2.803454     -6.999773      3.758894
  H      -1.658396     -6.757426      5.544607
  H      -0.919141     -5.993185      4.130980
  H      -3.555619     -7.463521      4.400166
  H      -2.235157     -7.794719      3.250031
  H      -6.803153     -6.850892      2.882593
  H      -5.710722     -7.377635      4.169950
  H      -5.049283     -6.225074      1.433303
  H      -4.577821     -7.829129      2.062685
  H      -2.333179     -3.991629      0.516502
  H      -3.969814     -4.650582      0.371447
  H      -1.655991     -5.547952      2.119496
  H      -2.565214     -6.530113      0.941020
  C      -3.907940     -1.792817      0.371384
  C      -3.610476     -2.154093      1.834242
  C      -2.289487     -1.447572      2.307366
  C      -1.050790     -2.072425      1.762517
  C      -0.472962     -3.145841      2.437352
  C       0.657527     -3.765345      1.942393
  C       1.247236     -3.325423      0.760686
  C       2.481670     -3.978345      0.238659
  Cl      3.954000     -3.184506      0.943253
  C       0.682649     -2.242229      0.094839
  C      -0.450859     -1.625069      0.589182
  C      -7.896559     -5.643932      5.253335
  C      -7.091681     -4.753703      4.292569
  C      -7.956390     -4.394301      3.038038
  C      -8.999846     -3.377801      3.359035
  C     -10.309135     -3.744499      3.654081
  C     -11.255723     -2.793784      3.985926
  C     -10.920213     -1.444772      4.029611
  C     -11.938930     -0.420266      4.398420
  Cl    -11.974012     -0.200223      6.198451
  C      -9.610734     -1.072802      3.741371
  C      -8.668787     -2.026206      3.409474
  C      -0.534106     -4.451802      6.457582
  C      -2.027183     -4.246880      6.156398
  C      -2.873771     -4.594922      7.436968
  C      -3.117709     -6.056576      7.591043
  C      -2.315350     -6.861926      8.393374
  C      -2.544964     -8.221698      8.484048
  C      -3.594021     -8.809628      7.784367
  C      -3.826119    -10.280343      7.854237
  Cl     -2.940848    -11.104217      6.500885
  C      -4.402568     -8.004379      6.987675
  C      -4.170125     -6.646121      6.892638
  H      -4.813714     -2.297594      0.041432
  H      -4.063025     -0.719418      0.283268
  H      -3.091982     -2.076859     -0.287715
  H      -4.409041     -1.697675      2.438964
  H      -2.344877     -0.395249      2.023511
  H      -2.266828     -1.527452      3.397044
  H      -0.938878     -3.493115      3.350967
  H       1.099330     -4.597064      2.474604
  H       2.580985     -3.871606     -0.840413
  H       2.549050     -5.025872      0.528360
  H       1.139344     -1.881370     -0.816214
  H      -0.871677     -0.781903      0.059595
  H      -8.788069     -5.116650      5.585737
  H      -8.201466     -6.570698      4.772271
  H      -7.293107     -5.889471      6.125201
  H      -6.889368     -3.808386      4.814506
  H      -7.263264     -3.997947      2.290295
  H      -8.421122     -5.299598      2.644993
  H     -10.592873     -4.786649      3.615831
  H     -12.268499     -3.098034      4.209905
  H     -11.706069      0.560596      3.987252
  H     -12.947442     -0.722808      4.120890
  H      -9.335927     -0.027983      3.771746
  H      -7.658810     -1.724663      3.168201
  H      -0.225964     -3.776099      7.252987
  H       0.063078     -4.230910      5.575265
  H      -0.324846     -5.470915      6.772426
  H      -2.170948     -3.165657      5.998849
  H      -3.838398     -4.093888      7.329558
  H      -2.358715     -4.192829      8.310578
  H      -1.501202     -6.420503      8.951254
  H      -1.908338     -8.835919      9.105652
  H      -4.874279    -10.542481      7.718836
  H      -3.435532    -10.720020      8.770470
  H      -5.222171     -8.455148      6.444436
  H      -4.788136     -6.021517      6.256311
  N      -4.597230     -2.642888      4.890258
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.865015998418
  N      -3.621046     -3.557874      2.131032
  C      -3.149367     -4.443987      1.071052
  C      -2.630960     -5.750558      1.674163
  N      -3.502156     -6.173421      2.784474
  C      -4.744188     -6.799105      2.297633
  C      -5.849024     -6.649215      3.346611
  N      -5.818798     -5.297019      3.897768
  Mo     -4.063812     -4.410964      3.841095
  N      -2.526069     -4.914295      4.972738
  C      -1.880359     -6.180976      4.639152
  C      -2.790965     -7.029173      3.748548
  H      -1.654105     -6.780718      5.534705
  H      -0.912693     -6.008875      4.125399
  H      -3.543791     -7.501318      4.391272
  H      -2.218513     -7.822949      3.238676
  H      -6.808534     -6.876283      2.855349
  H      -5.716330     -7.407826      4.142209
  H      -5.055240     -6.249291      1.400916
  H      -4.582845     -7.857232      2.029169
  H      -2.324023     -3.997540      0.495948
  H      -3.959768     -4.659916      0.346025
  H      -1.635731     -5.556584      2.091082
  H      -2.545658     -6.539871      0.907940
  C      -3.917949     -1.792210      0.362257
  C      -3.614189     -2.141496      1.827284
  C      -2.298355     -1.429507      2.304829
  C      -1.046458     -2.045247      1.761091
  C      -0.451132     -3.117761      2.438349
  C       0.687523     -3.732757      1.936902
  C       1.270703     -3.289502      0.746696
  C       2.506761     -3.940198      0.221233
  Cl      3.995992     -3.148704      0.911165
  C       0.693494     -2.206161      0.078736
  C      -0.448926     -1.593195      0.579716
  C      -7.905180     -5.653718      5.241766
  C      -7.104411     -4.758958      4.282477
  C      -7.963857     -4.386453      3.028189
  C      -9.008317     -3.363181      3.351762
  C     -10.328684     -3.725736      3.636204
  C     -11.276940     -2.767024      3.971853
  C     -10.931460     -1.414725      4.030850
  C     -11.947495     -0.385204      4.403193
  Cl    -12.006259     -0.167076      6.210386
  C      -9.611758     -1.046796      3.752541
  C      -8.667635     -2.007297      3.416352
  C      -0.539351     -4.464964      6.450804
  C      -2.035510     -4.254294      6.167721
  C      -2.873035     -4.599519      7.457136
  C      -3.122430     -6.065313      7.631269
  C      -2.297832     -6.872154      8.422220
  C      -2.523904     -8.240080      8.523407
  C      -3.593436     -8.834411      7.848439
  C      -3.820334    -10.307067      7.918829
  Cl     -2.973289    -11.131890      6.531100
  C      -4.429766     -8.029142      7.071878
  C      -4.199831     -6.664835      6.964863
  H      -4.827622     -2.305621      0.032332
  H      -4.080150     -0.714192      0.271288
  H      -3.098325     -2.074233     -0.305818
  H      -4.413749     -1.688767      2.433629
  H      -2.363898     -0.372792      2.019529
  H      -2.281188     -1.506256      3.399093
  H      -0.910408     -3.470275      3.360203
  H       1.140975     -4.565840      2.472215
  H       2.599119     -3.838924     -0.863028
  H       2.573060     -4.991190      0.514687
  H       1.146894     -1.841569     -0.841306
  H      -0.882249     -0.749318      0.046516
  H      -8.799886     -5.123702      5.580786
  H      -8.216751     -6.584992      4.755933
  H      -7.297718     -5.905219      6.117373
  H      -6.896598     -3.815364      4.808252
  H      -7.264265     -3.986650      2.282231
  H      -8.434223     -5.290878      2.622351
  H     -10.620129     -4.773211      3.586189
  H     -12.300254     -3.068776      4.187853
  H     -11.704813      0.600147      3.997624
  H     -12.959171     -0.679171      4.112217
  H      -9.328543      0.003168      3.795123
  H      -7.646838     -1.707140      3.185227
  H      -0.223221     -3.787732      7.249490
  H       0.056354     -4.241207      5.559635
  H      -0.323505     -5.491342      6.763933
  H      -2.181509     -3.173857      6.013366
  H      -3.839715     -4.089996      7.361688
  H      -2.339236     -4.190933      8.322898
  H      -1.463625     -6.424730      8.959265
  H      -1.865220     -8.856298      9.132813
  H      -4.875560    -10.571406      7.813057
  H      -3.403389    -10.751528      8.825864
  H      -5.268876     -8.485866      6.548965
  H      -4.842113     -6.043605      6.342728
  N      -4.582789     -2.744394      4.823504
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.900731714003
  N      -3.615250     -3.543766      2.121478
  C      -3.138015     -4.444120      1.049710
  C      -2.616819     -5.756505      1.649079
  N      -3.497149     -6.185358      2.771897
  C      -4.754517     -6.817700      2.281414
  C      -5.858775     -6.662069      3.337073
  N      -5.827096     -5.293457      3.897592
  Mo     -4.069712     -4.381990      3.850911
  N      -2.522833     -4.912767      4.980695
  C      -1.869321     -6.195547      4.640807
  C      -2.777721     -7.050484      3.747517
  H      -1.644383     -6.795849      5.536885
  H      -0.900276     -6.020183      4.130218
  H      -3.531637     -7.525245      4.391723
  H      -2.204939     -7.844961      3.237168
  H      -6.820875     -6.887273      2.847543
  H      -5.727287     -7.420632      4.133733
  H      -5.065347     -6.267291      1.382461
  H      -4.594494     -7.876998      2.012306
  H      -2.311672     -3.997495      0.474763
  H      -3.949221     -4.657426      0.324449
  H      -1.618355     -5.563433      2.065934
  H      -2.531826     -6.546248      0.881719
  C      -3.909184     -1.785330      0.337567
  C      -3.603861     -2.114500      1.806616
  C      -2.288863     -1.402062      2.281555
  C      -1.030476     -2.022126      1.745368
  C      -0.428576     -3.092147      2.432534
  C       0.715569     -3.710919      1.933687
  C       1.299407     -3.274757      0.736181
  C       2.536688     -3.929739      0.216723
  Cl      4.036834     -3.138564      0.895566
  C       0.718173     -2.194146      0.057823
  C      -0.430133     -1.577227      0.556443
  C      -7.919390     -5.655503      5.243190
  C      -7.125890     -4.753451      4.286320
  C      -7.981748     -4.377377      3.031817
  C      -9.032622     -3.355106      3.356017
  C     -10.358805     -3.721836      3.633345
  C     -11.313856     -2.762276      3.970460
  C     -10.969036     -1.405540      4.038247
  C     -11.988568     -0.378049      4.411121
  Cl    -12.065876     -0.158758      6.222478
  C      -9.643993     -1.033444      3.766906
  C      -8.692621     -1.994138      3.429038
  C      -0.525833     -4.479923      6.458011
  C      -2.022810     -4.255953      6.191054
  C      -2.855647     -4.602724      7.482290
  C      -3.115633     -6.071308      7.658035
  C      -2.284568     -6.887557      8.442075
  C      -2.516326     -8.260592      8.543996
  C      -3.598703     -8.851224      7.877203
  C      -3.832106    -10.323706      7.944785
  Cl     -3.005988    -11.157073      6.542252
  C      -4.443149     -8.038241      7.110000
  C      -4.207250     -6.670067      7.002269
  H      -4.823242     -2.302634      0.012040
  H      -4.070546     -0.704668      0.234262
  H      -3.089161     -2.076377     -0.333490
  H      -4.401892     -1.654532      2.409279
  H      -2.355239     -0.344890      1.986338
  H      -2.276462     -1.468163      3.379009
  H      -0.886320     -3.441045      3.360481
  H       1.172467     -4.541962      2.477751
  H       2.628526     -3.839128     -0.870855
  H       2.600181     -4.980651      0.519986
  H       1.172578     -1.834569     -0.868687
  H      -0.867399     -0.735408      0.014804
  H      -8.819405     -5.129385      5.586017
  H      -8.229403     -6.591059      4.754245
  H      -7.309047     -5.908072      6.121321
  H      -6.920802     -3.810089      4.814836
  H      -7.279585     -3.971799      2.287938
  H      -8.450736     -5.283245      2.617494
  H     -10.649264     -4.773756      3.576360
  H     -12.341900     -3.067406      4.180885
  H     -11.744375      0.610949      4.008985
  H     -13.000382     -0.671826      4.111722
  H      -9.361123      0.020768      3.816514
  H      -7.667063     -1.689740      3.204412
  H      -0.198901     -3.808138      7.261680
  H       0.068320     -4.253036      5.561553
  H      -0.310326     -5.513322      6.763477
  H      -2.164552     -3.174527      6.045015
  H      -3.820804     -4.083141      7.395823
  H      -2.309608     -4.198622      8.346431
  H      -1.439283     -6.442897      8.972411
  H      -1.851145     -8.883270      9.147244
  H      -4.892125    -10.582845      7.850649
  H      -3.407434    -10.774591      8.847845
  H      -5.293577     -8.491628      6.593675
  H      -4.857699     -6.046241      6.387220
  N      -4.557274     -2.822119      4.769440
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.924454713047
  N      -3.616407     -3.544341      2.118144
  C      -3.139273     -4.451523      1.052909
  C      -2.616494     -5.761301      1.651837
  N      -3.495130     -6.193008      2.771891
  C      -4.753316     -6.823739      2.287304
  C      -5.851262     -6.662434      3.345278
  N      -5.823860     -5.293787      3.903216
  Mo     -4.076168     -4.359531      3.858843
  N      -2.527977     -4.905718      4.981241
  C      -1.874772     -6.188064      4.642327
  C      -2.777539     -7.048969      3.753427
  H      -1.651848     -6.783086      5.542086
  H      -0.905551     -6.010273      4.135358
  H      -3.533483     -7.522082      4.396862
  H      -2.203043     -7.844790      3.247526
  H      -6.815914     -6.887111      2.860638
  H      -5.719048     -7.416671      4.144819
  H      -5.062585     -6.276129      1.385633
  H      -4.594225     -7.883998      2.021851
  H      -2.312965     -4.003811      0.479012
  H      -3.949702     -4.664548      0.328396
  H      -1.618637     -5.568208      2.070934
  H      -2.529883     -6.551785      0.885570
  C      -3.914647     -1.793600      0.333552
  C      -3.606233     -2.113259      1.802254
  C      -2.294019     -1.407513      2.281892
  C      -1.032226     -2.027505      1.750547
  C      -0.430029     -3.098713      2.437911
  C       0.715932     -3.717308      1.939880
  C       1.302195     -3.279933      0.742427
  C       2.539512     -3.934943      0.223888
  Cl      4.047966     -3.150395      0.901089
  C       0.721170     -2.198110      0.064014
  C      -0.428814     -1.581660      0.562323
  C      -7.907599     -5.653710      5.255460
  C      -7.122932     -4.751187      4.295357
  C      -7.975934     -4.375453      3.042324
  C      -9.028350     -3.351923      3.364480
  C     -10.356723     -3.717700      3.637147
  C     -11.312648     -2.756883      3.972756
  C     -10.965990     -1.399851      4.044048
  C     -11.984655     -0.371765      4.414726
  Cl    -12.075168     -0.146677      6.228505
  C      -9.638783     -1.028818      3.776992
  C      -8.686347     -1.990457      3.440372
  C      -0.537231     -4.462039      6.458979
  C      -2.033673     -4.243324      6.193113
  C      -2.876021     -4.593772      7.471510
  C      -3.130901     -6.064577      7.644666
  C      -2.299175     -6.877374      8.433530
  C      -2.520768     -8.253509      8.532049
  C      -3.594065     -8.852402      7.856425
  C      -3.815416    -10.326788      7.920059
  Cl     -2.976031    -11.164063      6.521918
  C      -4.441312     -8.043176      7.085282
  C      -4.214864     -6.671929      6.981655
  H      -4.829779     -2.312714      0.010445
  H      -4.077203     -0.712153      0.225294
  H      -3.096413     -2.085950     -0.341091
  H      -4.403703     -1.653941      2.405460
  H      -2.358617     -0.348848      1.987504
  H      -2.287708     -1.472495      3.380144
  H      -0.887847     -3.450130      3.366061
  H       1.171991     -4.549161      2.485242
  H       2.631977     -3.844695     -0.864262
  H       2.600970     -4.986971      0.525669
  H       1.177145     -1.837164     -0.862227
  H      -0.866513     -0.738875      0.020655
  H      -8.808889     -5.129623      5.602518
  H      -8.219233     -6.591886      4.769676
  H      -7.293653     -5.904610      6.132958
  H      -6.914353     -3.807308      4.821137
  H      -7.273451     -3.969631      2.298078
  H      -8.445592     -5.280956      2.624893
  H     -10.647778     -4.770270      3.577409
  H     -12.342606     -3.061267      4.179534
  H     -11.737802      0.617470      4.013163
  H     -12.996324     -0.663089      4.110352
  H      -9.354316      0.025812      3.829486
  H      -7.658663     -1.686347      3.220823
  H      -0.213475     -3.788215      7.264113
  H       0.059137     -4.232574      5.563104
  H      -0.314683     -5.494774      6.765486
  H      -2.180534     -3.163421      6.044719
  H      -3.841949     -4.075574      7.377076
  H      -2.338775     -4.187110      8.341293
  H      -1.460209     -6.426483      8.970530
  H      -1.854111     -8.872263      9.139274
  H      -4.873319    -10.594654      7.820267
  H      -3.393435    -10.775788      8.826040
  H      -5.286125     -8.501351      6.562138
  H      -4.869090     -6.053347      6.363672
  N      -4.528578     -2.919644      4.699290
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.930144124475
  N      -3.593564     -3.536217      2.109165
  C      -3.121545     -4.448300      1.056365
  C      -2.610410     -5.757248      1.653755
  N      -3.499132     -6.194623      2.752586
  C      -4.756876     -6.800663      2.259958
  C      -5.852292     -6.632299      3.309990
  N      -5.824950     -5.274203      3.873214
  Mo     -4.087655     -4.316573      3.857296
  N      -2.555983     -4.909052      4.978840
  C      -1.908046     -6.183867      4.634320
  C      -2.803786     -7.042206      3.745215
  H      -1.690289     -6.778055      5.536162
  H      -0.935332     -6.003109      4.135635
  H      -3.570930     -7.511281      4.378649
  H      -2.225450     -7.843702      3.250587
  H      -6.818849     -6.844710      2.822632
  H      -5.734210     -7.390439      4.107919
  H      -5.049423     -6.246268      1.356085
  H      -4.610114     -7.862864      1.990739
  H      -2.288268     -4.003535      0.489589
  H      -3.927937     -4.651543      0.324885
  H      -1.616040     -5.574606      2.086758
  H      -2.517067     -6.542911      0.881844
  C      -3.884049     -1.793937      0.325237
  C      -3.574303     -2.105202      1.793706
  C      -2.260227     -1.412147      2.278081
  C      -0.994912     -2.031336      1.752590
  C      -0.382068     -3.089983      2.449460
  C       0.757410     -3.716189      1.946258
  C       1.327533     -3.298558      0.733789
  C       2.552305     -3.967115      0.204500
  Cl      4.084246     -3.185877      0.841235
  C       0.738062     -2.226538      0.047310
  C      -0.404654     -1.602375      0.551763
  C      -7.901914     -5.649825      5.219248
  C      -7.121599     -4.731918      4.272861
  C      -7.966811     -4.334778      3.024181
  C      -9.034760     -3.329715      3.358404
  C     -10.365645     -3.713742      3.589396
  C     -11.335368     -2.772398      3.939567
  C     -10.999585     -1.417086      4.070266
  C     -12.032442     -0.409966      4.455282
  Cl    -12.169980     -0.242338      6.276305
  C      -9.670356     -1.027760      3.842537
  C      -8.704186     -1.969672      3.490202
  C      -0.565882     -4.459995      6.442437
  C      -2.064155     -4.246595      6.192587
  C      -2.902235     -4.597266      7.471733
  C      -3.150082     -6.066482      7.671670
  C      -2.276103     -6.872959      8.420082
  C      -2.478200     -8.251442      8.524403
  C      -3.576670     -8.859743      7.899544
  C      -3.774515    -10.336748      7.962013
  Cl     -3.011211    -11.163032      6.508996
  C      -4.476950     -8.053836      7.186409
  C      -4.267345     -6.680861      7.074610
  H      -4.804031     -2.308132      0.005380
  H      -4.040179     -0.710939      0.210108
  H      -3.069772     -2.092761     -0.352932
  H      -4.370016     -1.645413      2.399023
  H      -2.319899     -0.352026      1.983308
  H      -2.261035     -1.468514      3.377379
  H      -0.825101     -3.427453      3.390728
  H       1.220659     -4.539336      2.500256
  H       2.626009     -3.895250     -0.886931
  H       2.612615     -5.016025      0.518769
  H       1.182062     -1.879505     -0.890920
  H      -0.851686     -0.768572      0.002139
  H      -8.807765     -5.135258      5.572657
  H      -8.211855     -6.583350      4.721382
  H      -7.289989     -5.910552      6.096559
  H      -6.905217     -3.796567      4.810810
  H      -7.263675     -3.904010      2.294004
  H      -8.423423     -5.233383      2.576060
  H     -10.647169     -4.766227      3.484407
  H     -12.367998     -3.091003      4.113216
  H     -11.785138      0.594558      4.092459
  H     -13.035765     -0.695351      4.117708
  H      -9.393865      0.026539      3.941684
  H      -7.672243     -1.651237      3.310605
  H      -0.237218     -3.786296      7.247393
  H       0.023850     -4.225284      5.542512
  H      -0.332722     -5.492046      6.746673
  H      -2.218092     -3.168050      6.040747
  H      -3.868598     -4.077446      7.385003
  H      -2.359674     -4.180190      8.334767
  H      -1.413985     -6.414861      8.914330
  H      -1.773895     -8.865879      9.093734
  H      -4.833358    -10.618419      7.924000
  H      -3.295111    -10.788424      8.838174
  H      -5.347990     -8.515755      6.709899
  H      -4.968296     -6.066606      6.504713
  N      -4.522001     -2.930516      4.653504
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.934174375509
  N      -3.555939     -3.534987      2.089362
  C      -3.083463     -4.461302      1.058598
  C      -2.588467     -5.763045      1.674294
  N      -3.497858     -6.193306      2.750471
  C      -4.756474     -6.773061      2.246988
  C      -5.853876     -6.589361      3.285071
  N      -5.820418     -5.236507      3.843951
  Mo     -4.088912     -4.266886      3.847428
  N      -2.580190     -4.891180      4.981462
  C      -1.941562     -6.166519      4.650912
  C      -2.836252     -7.026082      3.769153
  H      -1.733570     -6.751295      5.561799
  H      -0.963078     -5.996495      4.159257
  H      -3.621634     -7.473892      4.395738
  H      -2.259657     -7.846493      3.301633
  H      -6.821227     -6.790928      2.793417
  H      -5.754026     -7.348199      4.085597
  H      -5.028237     -6.216375      1.337576
  H      -4.626273     -7.838984      1.979282
  H      -2.240464     -4.027201      0.496751
  H      -3.881765     -4.664384      0.317841
  H      -1.601943     -5.584869      2.126852
  H      -2.480271     -6.551724      0.905681
  C      -3.836110     -1.816213      0.285548
  C      -3.527711     -2.107191      1.757639
  C      -2.211076     -1.421809      2.239549
  C      -0.943918     -2.052161      1.732089
  C      -0.325959     -3.087146      2.458554
  C       0.809359     -3.730615      1.967946
  C       1.370173     -3.354321      0.737543
  C       2.587338     -4.043175      0.217120
  Cl      4.132534     -3.248529      0.809438
  C       0.774976     -2.305668      0.020416
  C      -0.362585     -1.663865      0.513293
  C      -7.888413     -5.620855      5.196315
  C      -7.111798     -4.691314      4.259463
  C      -7.958228     -4.271587      3.021125
  C      -9.051120     -3.301115      3.378928
  C     -10.380842     -3.716161      3.555292
  C     -11.373672     -2.809304      3.930158
  C     -11.062356     -1.458711      4.143668
  C     -12.120088     -0.488494      4.553003
  Cl    -12.310172     -0.413454      6.377771
  C      -9.734705     -1.038273      3.968735
  C      -8.745515     -1.945423      3.590765
  C      -0.599464     -4.422857      6.449204
  C      -2.098154     -4.221144      6.195326
  C      -2.947868     -4.579503      7.460041
  C      -3.181253     -6.050412      7.662778
  C      -2.283137     -6.853514      8.385747
  C      -2.465387     -8.235180      8.478780
  C      -3.565092     -8.852357      7.864653
  C      -3.742706    -10.332021      7.919733
  Cl     -3.002431    -11.148539      6.446381
  C      -4.492185     -8.049751      7.182295
  C      -4.302974     -6.672672      7.083775
  H      -4.762068     -2.325388     -0.026310
  H      -3.981934     -0.733038      0.152978
  H      -3.025975     -2.131120     -0.391111
  H      -4.321195     -1.639386      2.359419
  H      -2.261556     -0.364127      1.931101
  H      -2.221697     -1.455936      3.340035
  H      -0.759331     -3.392021      3.415668
  H       1.276938     -4.533949      2.547752
  H       2.648697     -4.008135     -0.877148
  H       2.649341     -5.082354      0.562529
  H       1.212490     -1.989302     -0.932125
  H      -0.814119     -0.848003     -0.059966
  H      -8.796239     -5.113166      5.556780
  H      -8.199506     -6.549321      4.688905
  H      -7.276661     -5.890726      6.071607
  H      -6.883021     -3.765213      4.808143
  H      -7.261669     -3.802023      2.308282
  H      -8.392076     -5.163154      2.536530
  H     -10.642580     -4.766043      3.386843
  H     -12.405575     -3.151779      4.060251
  H     -11.880691      0.537173      4.247781
  H     -13.110242     -0.769387      4.174365
  H      -9.476821      0.013172      4.132681
  H      -7.712920     -1.603706      3.462147
  H      -0.278656     -3.749060      7.258229
  H      -0.006986     -4.179672      5.552635
  H      -0.356239     -5.453240      6.752746
  H      -2.263673     -3.145227      6.038104
  H      -3.916935     -4.066377      7.361080
  H      -2.423190     -4.152850      8.330738
  H      -1.419989     -6.388587      8.872744
  H      -1.743962     -8.845998      9.031178
  H      -4.798660    -10.627404      7.904506
  H      -3.239377    -10.783772      8.782646
  H      -5.368816     -8.516106      6.719534
  H      -5.029038     -6.060707      6.542814
  N      -4.526336     -2.852885      4.625881
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.937281557419
  N      -3.527338     -3.528385      2.075659
  C      -3.052703     -4.460836      1.058813
  C      -2.565909     -5.760272      1.683257
  N      -3.487617     -6.202715      2.736846
  C      -4.752729     -6.752982      2.234419
  C      -5.847219     -6.559442      3.272344
  N      -5.805016     -5.212516      3.831962
  Mo     -4.086372     -4.214641      3.847264
  N      -2.595325     -4.879019      4.982326
  C      -1.961163     -6.152877      4.660203
  C      -2.853655     -7.015503      3.781959
  H      -1.756158     -6.730228      5.577219
  H      -0.978628     -5.989007      4.173537
  H      -3.653319     -7.444171      4.402476
  H      -2.276490     -7.855111      3.345990
  H      -6.818542     -6.749350      2.782077
  H      -5.760749     -7.323520      4.070661
  H      -5.013358     -6.191729      1.324854
  H      -4.646232     -7.821420      1.959934
  H      -2.204499     -4.029518      0.500687
  H      -3.843527     -4.663152      0.309083
  H      -1.588234     -5.582129      2.153041
  H      -2.434346     -6.542197      0.908865
  C      -3.812363     -1.820053      0.260431
  C      -3.496525     -2.098937      1.731991
  C      -2.174636     -1.427446      2.206899
  C      -0.914274     -2.076131      1.710040
  C      -0.310674     -3.108013      2.450415
  C       0.820498     -3.769165      1.974025
  C       1.389646     -3.415101      0.740957
  C       2.602715     -4.118462      0.232426
  Cl      4.153152     -3.325077      0.814721
  C       0.804281     -2.372865      0.006090
  C      -0.328404     -1.713831      0.485413
  C      -7.875625     -5.592406      5.191494
  C      -7.094434     -4.660219      4.262798
  C      -7.938602     -4.222968      3.033386
  C      -9.053874     -3.283932      3.406612
  C     -10.382675     -3.720365      3.524056
  C     -11.395966     -2.842763      3.912646
  C     -11.106447     -1.500800      4.198747
  C     -12.186180     -0.561759      4.618841
  Cl    -12.433317     -0.570062      6.439322
  C      -9.779402     -1.059362      4.082703
  C      -8.769718     -1.937246      3.691667
  C      -0.619312     -4.387296      6.454196
  C      -2.117841     -4.198215      6.196897
  C      -2.982288     -4.560320      7.445053
  C      -3.204417     -6.031274      7.648599
  C      -2.298968     -6.830926      8.366359
  C      -2.470049     -8.213689      8.450968
  C      -3.563041     -8.837561      7.830992
  C      -3.727604    -10.317603      7.883024
  Cl     -2.983300    -11.131931      6.409617
  C      -4.497105     -8.038818      7.154113
  C      -4.319458     -6.659408      7.066288
  H      -4.746172     -2.320773     -0.038479
  H      -3.947193     -0.737262      0.115136
  H      -3.013023     -2.149029     -0.421264
  H      -4.283193     -1.626069      2.336887
  H      -2.208900     -0.369496      1.894972
  H      -2.191210     -1.448377      3.307270
  H      -0.751702     -3.398302      3.407701
  H       1.276461     -4.567583      2.568206
  H       2.666763     -4.098953     -0.861714
  H       2.662412     -5.153172      0.589831
  H       1.248600     -2.073103     -0.947794
  H      -0.769138     -0.900748     -0.098567
  H      -8.784170     -5.086889      5.552310
  H      -8.190165     -6.515879      4.679286
  H      -7.270637     -5.869588      6.068001
  H      -6.854066     -3.741843      4.817599
  H      -7.247499     -3.720506      2.338035
  H      -8.349763     -5.106525      2.516303
  H     -10.626028     -4.763306      3.299002
  H     -12.426422     -3.200971      3.997435
  H     -11.951231      0.479227      4.368533
  H     -13.161858     -0.833818      4.199437
  H      -9.538450     -0.014932      4.302637
  H      -7.738459     -1.579707      3.611450
  H      -0.304608     -3.714789      7.266556
  H      -0.026624     -4.135303      5.561233
  H      -0.364778     -5.414795      6.755064
  H      -2.293995     -3.125799      6.032534
  H      -3.952393     -4.055229      7.322931
  H      -2.487164     -4.121799      8.328106
  H      -1.444170     -6.361369      8.861695
  H      -1.746029     -8.820818      9.002548
  H      -4.780075    -10.623746      7.869400
  H      -3.218654    -10.767015      8.743318
  H      -5.368870     -8.507742      6.686721
  H      -5.050907     -6.050618      6.530035
  N      -4.527719     -2.783878      4.614541
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.938640366373
  N      -3.493997     -3.525238      2.064166
  C      -3.033869     -4.467740      1.050805
  C      -2.560085     -5.772428      1.677312
  N      -3.486253     -6.218815      2.720702
  C      -4.764085     -6.737788      2.227999
  C      -5.854514     -6.524423      3.269529
  N      -5.791302     -5.179514      3.828816
  Mo     -4.073896     -4.173537      3.847062
  N      -2.602924     -4.881680      4.983200
  C      -1.973850     -6.157072      4.660438
  C      -2.870692     -7.018622      3.783142
  H      -1.766100     -6.734030      5.577106
  H      -0.991402     -5.996874      4.172126
  H      -3.679980     -7.427602      4.402770
  H      -2.299038     -7.875541      3.372788
  H      -6.829862     -6.699129      2.781599
  H      -5.781631     -7.291046      4.066765
  H      -5.017878     -6.171800      1.319996
  H      -4.689866     -7.808304      1.948229
  H      -2.184463     -4.048678      0.485395
  H      -3.829185     -4.663537      0.303955
  H      -1.585126     -5.600169      2.153160
  H      -2.419021     -6.546996      0.896272
  C      -3.792602     -1.844367      0.225558
  C      -3.464757     -2.096753      1.697993
  C      -2.140122     -1.415645      2.151935
  C      -0.879874     -2.073254      1.670637
  C      -0.264437     -3.069042      2.447301
  C       0.868523     -3.740279      1.991790
  C       1.426957     -3.432219      0.742572
  C       2.640447     -4.145956      0.252518
  Cl      4.186684     -3.316522      0.791685
  C       0.830095     -2.423840     -0.028876
  C      -0.303596     -1.754309      0.430099
  C      -7.870860     -5.545874      5.184624
  C      -7.076480     -4.613653      4.268523
  C      -7.913463     -4.154471      3.044454
  C      -9.054306     -3.253129      3.431255
  C     -10.378793     -3.712210      3.477454
  C     -11.417243     -2.870600      3.876272
  C     -11.157765     -1.542886      4.243346
  C     -12.264863     -0.642091      4.673068
  Cl    -12.572019     -0.750997      6.480396
  C      -9.834565     -1.079030      4.199063
  C      -8.799654     -1.921049      3.797971
  C      -0.623520     -4.403610      6.457155
  C      -2.119046     -4.203141      6.201441
  C      -2.991861     -4.561359      7.443430
  C      -3.213860     -6.030554      7.650801
  C      -2.304975     -6.832071      8.361086
  C      -2.479247     -8.213315      8.445270
  C      -3.577975     -8.834265      7.832918
  C      -3.743713    -10.313303      7.886063
  Cl     -3.013629    -11.126503      6.406293
  C      -4.514246     -8.033345      7.163393
  C      -4.332927     -6.655002      7.075599
  H      -4.732054     -2.344132     -0.052854
  H      -3.921833     -0.764863      0.058470
  H      -3.003697     -2.191688     -0.457485
  H      -4.247916     -1.616694      2.300522
  H      -2.172506     -0.364595      1.819060
  H      -2.154674     -1.409028      3.252118
  H      -0.699407     -3.326225      3.415796
  H       1.331550     -4.510941      2.614343
  H       2.697221     -4.168004     -0.841418
  H       2.714424     -5.164836      0.648770
  H       1.266021     -2.159992     -0.995862
  H      -0.753636     -0.968887     -0.181963
  H      -8.778314     -5.037604      5.541399
  H      -8.189189     -6.462354      4.664603
  H      -7.276977     -5.834139      6.063946
  H      -6.824380     -3.705279      4.832692
  H      -7.225814     -3.615227      2.374146
  H      -8.297378     -5.027977      2.492274
  H     -10.597260     -4.743757      3.189113
  H     -12.443582     -3.245458      3.906201
  H     -12.038287      0.413578      4.487657
  H     -13.221856     -0.904390      4.208430
  H      -9.617497     -0.045753      4.481733
  H      -7.773006     -1.546111      3.770536
  H      -0.303393     -3.744292      7.277120
  H      -0.031108     -4.143721      5.567670
  H      -0.373668     -5.435114      6.744388
  H      -2.287912     -3.130070      6.036657
  H      -3.960887     -4.059499      7.304974
  H      -2.514910     -4.115503      8.332267
  H      -1.447272     -6.365553      8.851878
  H      -1.753479     -8.822307      8.990283
  H      -4.795515    -10.619821      7.881296
  H      -3.226013    -10.764113      8.739632
  H      -5.388870     -8.498173      6.699934
  H      -5.062880     -6.044573      6.540644
  N      -4.503696     -2.732923      4.606769
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939152315403
  N      -3.464584     -3.479258      2.060121
  C      -3.007014     -4.428139      1.048541
  C      -2.542525     -5.737336      1.676732
  N      -3.473320     -6.187595      2.712184
  C      -4.756811     -6.690899      2.221820
  C      -5.849904     -6.465177      3.261622
  N      -5.778528     -5.119194      3.821971
  Mo     -4.063570     -4.105463      3.847328
  N      -2.611903     -4.837792      4.993946
  C      -1.977110     -6.112856      4.669654
  C      -2.868818     -6.977959      3.787116
  H      -1.767561     -6.692269      5.583867
  H      -0.995085     -5.947563      4.182688
  H      -3.685039     -7.377119      4.404278
  H      -2.295741     -7.842674      3.395643
  H      -6.824004     -6.634474      2.770197
  H      -5.784297     -7.231456      4.059397
  H      -5.006286     -6.122230      1.314233
  H      -4.701546     -7.762242      1.940163
  H      -2.153351     -4.017597      0.483784
  H      -3.802012     -4.619390      0.300458
  H      -1.571178     -5.565525      2.160656
  H      -2.390508     -6.505598      0.891416
  C      -3.742703     -1.799314      0.211252
  C      -3.412408     -2.052301      1.683131
  C      -2.068017     -1.403235      2.122807
  C      -0.834087     -2.112424      1.646985
  C      -0.262102     -3.128507      2.429889
  C       0.845770     -3.845364      1.982258
  C       1.420954     -3.564206      0.734945
  C       2.612321     -4.321052      0.255351
  Cl      4.179960     -3.535850      0.796762
  C       0.864059     -2.540394     -0.045344
  C      -0.244859     -1.825948      0.404789
  C      -7.862650     -5.496860      5.170508
  C      -7.064321     -4.554590      4.268045
  C      -7.898304     -4.077671      3.049004
  C      -9.072685     -3.227301      3.449682
  C     -10.385108     -3.719866      3.422557
  C     -11.457638     -2.929252      3.833709
  C     -11.245186     -1.620796      4.287934
  C     -12.389002     -0.775173      4.733805
  Cl    -12.745260     -1.001432      6.520375
  C      -9.934004     -1.123190      4.317022
  C      -8.864888     -1.914061      3.902609
  C      -0.638680     -4.369221      6.483372
  C      -2.132235     -4.167349      6.221320
  C      -3.012162     -4.539503      7.454209
  C      -3.219227     -6.012633      7.649082
  C      -2.304990     -6.810627      8.355820
  C      -2.466383     -8.193706      8.427223
  C      -3.556218     -8.820083      7.805087
  C      -3.706118    -10.301385      7.843755
  Cl     -2.960662    -11.087019      6.358063
  C      -4.496178     -8.023578      7.136752
  C      -4.328001     -6.643104      7.061561
  H      -4.699134     -2.271856     -0.056167
  H      -3.839980     -0.717858      0.037375
  H      -2.970251     -2.175823     -0.474467
  H      -4.181415     -1.552121      2.287403
  H      -2.066349     -0.356240      1.777458
  H      -2.077760     -1.383817      3.222886
  H      -0.712603     -3.365757      3.396229
  H       1.276310     -4.630156      2.609974
  H       2.673657     -4.351865     -0.838014
  H       2.653097     -5.338631      0.659245
  H       1.312712     -2.299530     -1.012299
  H      -0.663115     -1.028555     -0.213910
  H      -8.771979     -4.992767      5.527110
  H      -8.177533     -6.407979      4.639657
  H      -7.273428     -5.794142      6.049825
  H      -6.811000     -3.654982      4.845279
  H      -7.218816     -3.495328      2.406935
  H      -8.247311     -4.943368      2.462913
  H     -10.565934     -4.737643      3.067867
  H     -12.474098     -3.329721      3.805973
  H     -12.185582      0.295055      4.619322
  H     -13.324183     -1.033797      4.225182
  H      -9.754109     -0.104017      4.667885
  H      -7.848374     -1.512847      3.930287
  H      -0.324434     -3.725487      7.317484
  H      -0.043004     -4.090705      5.602067
  H      -0.388216     -5.405366      6.751226
  H      -2.299986     -3.092872      6.064809
  H      -3.986080     -4.050541      7.304005
  H      -2.554070     -4.091045      8.350991
  H      -1.453609     -6.340473      8.853616
  H      -1.736650     -8.800518      8.969001
  H      -4.754139    -10.619925      7.831161
  H      -3.185697    -10.754885      8.694075
  H      -5.362743     -8.493043      6.663490
  H      -5.057727     -6.035341      6.523329
  N      -4.491119     -2.664481      4.600822
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939360958436
  N      -3.455345     -3.476786      2.031342
  C      -3.018704     -4.441632      1.021256
  C      -2.563939     -5.753653      1.653020
  N      -3.488511     -6.188174      2.700507
  C      -4.782219     -6.683184      2.228495
  C      -5.867649     -6.433060      3.273723
  N      -5.781295     -5.079267      3.819287
  Mo     -4.058004     -4.078413      3.826906
  N      -2.615725     -4.821982      4.979062
  C      -1.982423     -6.100877      4.652831
  C      -2.880370     -6.970861      3.778893
  H      -1.765503     -6.679330      5.565158
  H      -1.005584     -5.935140      4.156429
  H      -3.694942     -7.359715      4.404851
  H      -2.311989     -7.841561      3.395020
  H      -6.844706     -6.601165      2.788824
  H      -5.801002     -7.188713      4.081025
  H      -5.035155     -6.120986      1.317788
  H      -4.744583     -7.757933      1.958319
  H      -2.167214     -4.048333      0.442598
  H      -3.826312     -4.629085      0.286324
  H      -1.587169     -5.586841      2.127448
  H      -2.424547     -6.526078      0.869817
  C      -3.721598     -1.825529      0.152691
  C      -3.396367     -2.056733      1.629762
  C      -2.053567     -1.395363      2.064961
  C      -0.812950     -2.117289      1.626373
  C      -0.249092     -3.104611      2.450557
  C       0.867146     -3.831251      2.042491
  C       1.459492     -3.588360      0.795543
  C       2.660554     -4.356266      0.358705
  Cl      4.215041     -3.546314      0.899169
  C       0.912549     -2.591109     -0.024624
  C      -0.204582     -1.866023      0.386020
  C      -7.853870     -5.441408      5.191595
  C      -7.060670     -4.507811      4.274857
  C      -7.905502     -4.034254      3.061706
  C      -9.091784     -3.205647      3.472021
  C     -10.397285     -3.714144      3.425334
  C     -11.482605     -2.946934      3.846156
  C     -11.290477     -1.646333      4.329781
  C     -12.448151     -0.826555      4.789185
  Cl    -12.804049     -1.097393      6.568791
  C      -9.986510     -1.132145      4.377455
  C      -8.904489     -1.899809      3.953674
  C      -0.639685     -4.368981      6.472787
  C      -2.132848     -4.161923      6.210711
  C      -3.013615     -4.540085      7.442337
  C      -3.215446     -6.015333      7.629819
  C      -2.301938     -6.811488      8.338908
  C      -2.457806     -8.195318      8.404428
  C      -3.541275     -8.823726      7.774239
  C      -3.684033    -10.306510      7.804225
  Cl     -2.924956    -11.075083      6.317668
  C      -4.480296     -8.029394      7.102749
  C      -4.318037     -6.648090      7.033168
  H      -4.680189     -2.296827     -0.108725
  H      -3.811722     -0.746627     -0.038175
  H      -2.949779     -2.218866     -0.523629
  H      -4.168092     -1.545013      2.221025
  H      -2.047644     -0.359347      1.689670
  H      -2.073512     -1.346158      3.163908
  H      -0.713529     -3.312371      3.416970
  H       1.290967     -4.594401      2.700549
  H       2.738639     -4.421730     -0.731949
  H       2.697780     -5.359651      0.796626
  H       1.374886     -2.379698     -0.991846
  H      -0.615359     -1.089984     -0.263769
  H      -8.756579     -4.930376      5.553922
  H      -8.177433     -6.354478      4.670028
  H      -7.255800     -5.735426      6.065798
  H      -6.798747     -3.606600      4.846030
  H      -7.236441     -3.438712      2.420950
  H      -8.243554     -4.902926      2.474105
  H     -10.562251     -4.727001      3.049882
  H     -12.493228     -3.360239      3.802929
  H     -12.259557      0.248524      4.698168
  H     -13.377546     -1.088665      4.272136
  H      -9.822619     -0.118364      4.750729
  H      -7.894044     -1.484946      3.994608
  H      -0.326276     -3.737645      7.316311
  H      -0.043823     -4.077808      5.595629
  H      -0.391197     -5.409083      6.724902
  H      -2.295877     -3.085482      6.061990
  H      -3.990126     -4.057199      7.289611
  H      -2.559688     -4.092155      8.340781
  H      -1.454600     -6.340000      8.841832
  H      -1.728126     -8.801177      8.947033
  H      -4.730323    -10.629823      7.783230
  H      -3.166107    -10.761702      8.655012
  H      -5.341082     -8.501757      6.622317
  H      -5.044623     -6.041216      6.489650
  N      -4.467572     -2.630316      4.571757
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939478008983
  N      -3.452396     -3.451860      2.019978
  C      -3.023640     -4.417839      1.005242
  C      -2.572812     -5.734643      1.630409
  N      -3.492973     -6.165591      2.683765
  C      -4.788183     -6.662444      2.216738
  C      -5.871340     -6.408970      3.264140
  N      -5.785807     -5.051956      3.805525
  Mo     -4.059391     -4.057099      3.813006
  N      -2.623341     -4.805993      4.970082
  C      -1.983329     -6.080928      4.632653
  C      -2.878158     -6.951824      3.756028
  H      -1.759523     -6.664369      5.539617
  H      -1.010781     -5.904049      4.132252
  H      -3.689032     -7.347151      4.382524
  H      -2.306230     -7.816829      3.365542
  H      -6.848354     -6.580565      2.780881
  H      -5.799436     -7.159691      4.075333
  H      -5.044114     -6.101437      1.306075
  H      -4.751665     -7.737812      1.950374
  H      -2.171870     -4.027780      0.425244
  H      -3.836370     -4.598493      0.274663
  H      -1.592657     -5.573012      2.099727
  H      -2.443000     -6.505951      0.844886
  C      -3.695386     -1.791857      0.142609
  C      -3.377786     -2.033219      1.620251
  C      -2.028843     -1.385565      2.059815
  C      -0.796269     -2.127901      1.631433
  C      -0.260241     -3.129507      2.457072
  C       0.846465     -3.874743      2.057011
  C       1.456683     -3.637177      0.817748
  C       2.647378     -4.427197      0.390858
  Cl      4.210860     -3.650044      0.951985
  C       0.937969     -2.626088     -0.003294
  C      -0.170046     -1.882339      0.398961
  C      -7.847103     -5.419924      5.193180
  C      -7.064736     -4.486647      4.266049
  C      -7.920282     -4.022577      3.056331
  C      -9.112045     -3.204399      3.471512
  C     -10.412833     -3.725325      3.430162
  C     -11.503597     -2.969481      3.857380
  C     -11.322182     -1.667467      4.341085
  C     -12.485673     -0.860242      4.809013
  Cl    -12.824042     -1.135201      6.590971
  C     -10.023435     -1.140176      4.381779
  C      -8.935953     -1.896823      3.952531
  C      -0.646877     -4.361022      6.467123
  C      -2.141444     -4.157124      6.206541
  C      -3.018532     -4.543304      7.439840
  C      -3.209597     -6.020052      7.630002
  C      -2.290461     -6.806688      8.342051
  C      -2.435363     -8.191598      8.411941
  C      -3.514466     -8.829807      7.784705
  C      -3.645335    -10.314237      7.816643
  Cl     -2.881100    -11.076436      6.329959
  C      -4.460726     -8.044598      7.112566
  C      -4.308943     -6.662528      7.037435
  H      -4.658698     -2.250333     -0.123961
  H      -3.771608     -0.710992     -0.042246
  H      -2.925894     -2.191950     -0.532250
  H      -4.146094     -1.513398      2.209548
  H      -2.007613     -0.352323      1.678333
  H      -2.052703     -1.332600      3.158440
  H      -0.738801     -3.332961      3.417347
  H       1.249570     -4.649266      2.714829
  H       2.735653     -4.490104     -0.699142
  H       2.658173     -5.432485      0.825769
  H       1.414056     -2.419198     -0.964800
  H      -0.559732     -1.096646     -0.252287
  H      -8.747316     -4.909370      5.561832
  H      -8.172143     -6.335870      4.677811
  H      -7.238830     -5.708722      6.062021
  H      -6.804272     -3.581938      4.832822
  H      -7.259588     -3.423269      2.410585
  H      -8.253611     -4.897034      2.474825
  H     -10.569974     -4.739798      3.055697
  H     -12.510076     -3.393178      3.818558
  H     -12.309316      0.216711      4.715826
  H     -13.415412     -1.133380      4.298384
  H      -9.867713     -0.124840      4.754378
  H      -7.929964     -1.470903      3.987823
  H      -0.336799     -3.735961      7.316414
  H      -0.052626     -4.059166      5.592579
  H      -0.394809     -5.402497      6.709236
  H      -2.305992     -3.079520      6.066334
  H      -3.999542     -4.068955      7.289385
  H      -2.563930     -4.091960      8.335865
  H      -1.445886     -6.327298      8.842070
  H      -1.700412     -8.790259      8.955368
  H      -4.689291    -10.644996      7.797051
  H      -3.123476    -10.763712      8.668038
  H      -5.318500     -8.525721      6.635429
  H      -5.040284     -6.062476      6.492724
  N      -4.464566     -2.611276      4.563593
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939533461441
  N      -3.452491     -3.433092      2.015980
  C      -3.033346     -4.407981      1.003982
  C      -2.587819     -5.725094      1.631529
  N      -3.503501     -6.141290      2.695687
  C      -4.799912     -6.644953      2.237424
  C      -5.878573     -6.381053      3.286163
  N      -5.795915     -5.015658      3.809438
  Mo     -4.065680     -4.029121      3.809656
  N      -2.637044     -4.775184      4.978238
  C      -1.990191     -6.047592      4.638288
  C      -2.881376     -6.925462      3.765922
  H      -1.760198     -6.628622      5.545110
  H      -1.021697     -5.862718      4.133420
  H      -3.688016     -7.325517      4.395519
  H      -2.305005     -7.785675      3.371868
  H      -6.856592     -6.562207      2.808551
  H      -5.798384     -7.118578      4.108558
  H      -5.059455     -6.092932      1.322079
  H      -4.762132     -7.723306      1.984500
  H      -2.180782     -4.024913      0.420470
  H      -3.851545     -4.585666      0.278988
  H      -1.602614     -5.568198      2.092091
  H      -2.472947     -6.502506      0.849998
  C      -3.668872     -1.774631      0.130998
  C      -3.359464     -2.018654      1.610624
  C      -2.003593     -1.384234      2.050757
  C      -0.779533     -2.147539      1.632988
  C      -0.271091     -3.162036      2.460953
  C       0.826533     -3.925247      2.069759
  C       1.454404     -3.694738      0.837686
  C       2.634191     -4.507442      0.421574
  Cl      4.207024     -3.764430      1.002105
  C       0.963281     -2.671708      0.014567
  C      -0.135842     -1.909374      0.408055
  C      -7.840137     -5.373675      5.224920
  C      -7.073996     -4.452941      4.271403
  C      -7.945239     -4.018714      3.061316
  C      -9.140443     -3.203180      3.472212
  C     -10.436398     -3.738208      3.456618
  C     -11.530420     -2.985178      3.881357
  C     -11.357628     -1.671272      4.335770
  C     -12.524440     -0.867101      4.801925
  Cl    -12.834234     -1.104621      6.594273
  C     -10.064272     -1.129440      4.349266
  C      -8.973587     -1.883528      3.923135
  C      -0.672542     -4.326973      6.491829
  C      -2.168759     -4.138460      6.223535
  C      -3.046574     -4.552648      7.446532
  C      -3.209491     -6.035338      7.617805
  C      -2.283416     -6.809440      8.334682
  C      -2.397149     -8.198441      8.386241
  C      -3.451161     -8.853116      7.733957
  C      -3.549218    -10.340801      7.744618
  Cl     -2.743785    -11.064922      6.260891
  C      -4.404445     -8.081663      7.055497
  C      -4.284107     -6.695580      6.999114
  H      -4.636417     -2.222148     -0.139634
  H      -3.732024     -0.692534     -0.052013
  H      -2.900905     -2.183343     -0.540894
  H      -4.123084     -1.485870      2.195155
  H      -1.967996     -0.355422      1.658609
  H      -2.029765     -1.322704      3.148986
  H      -0.762410     -3.359393      3.416108
  H       1.210120     -4.709077      2.728830
  H       2.732387     -4.569590     -0.667761
  H       2.617489     -5.513819      0.854199
  H       1.453075     -2.470026     -0.941485
  H      -0.504156     -1.114612     -0.245264
  H      -8.736567     -4.858954      5.597334
  H      -8.168510     -6.299852      4.729780
  H      -7.217199     -5.644762      6.089196
  H      -6.815513     -3.535789      4.819436
  H      -7.295437     -3.427369      2.397357
  H      -8.276773     -4.908439      2.502025
  H     -10.587669     -4.762106      3.105222
  H     -12.532707     -3.420741      3.862786
  H     -12.362194      0.209411      4.680431
  H     -13.457312     -1.163516      4.309968
  H      -9.914840     -0.104522      4.698309
  H      -7.972221     -1.445094      3.937220
  H      -0.377910     -3.709461      7.352248
  H      -0.076083     -4.004592      5.625811
  H      -0.408417     -5.368665      6.721076
  H      -2.345602     -3.060620      6.098373
  H      -4.035917     -4.095649      7.296126
  H      -2.602025     -4.103222      8.348634
  H      -1.457489     -6.316706      8.853126
  H      -1.657219     -8.786799      8.934673
  H      -4.585643    -10.693112      7.703732
  H      -3.032314    -10.789305      8.599750
  H      -5.242624     -8.577972      6.558844
  H      -5.020207     -6.105352      6.449790
  N      -4.464667     -2.580908      4.555655
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939574831800
  N      -3.448738     -3.428022      2.018720
  C      -3.033763     -4.399146      1.002081
  C      -2.593392     -5.721204      1.622831
  N      -3.510308     -6.137741      2.685915
  C      -4.807183     -6.637124      2.224417
  C      -5.884432     -6.376134      3.274483
  N      -5.800447     -5.012587      3.801135
  Mo     -4.067452     -4.030824      3.808416
  N      -2.643621     -4.788025      4.976172
  C      -1.998797     -6.059152      4.629299
  C      -2.890514     -6.930356      3.751397
  H      -1.768608     -6.644004      5.533651
  H      -1.030412     -5.872500      4.124946
  H      -3.697935     -7.334182      4.376942
  H      -2.314632     -7.787966      3.350957
  H      -6.863471     -6.554801      2.797990
  H      -5.804131     -7.115981      4.094677
  H      -5.064955     -6.081129      1.311142
  H      -4.770323     -7.714607      1.967570
  H      -2.179940     -4.014980      0.420931
  H      -3.852673     -4.569662      0.276153
  H      -1.606773     -5.572216      2.082414
  H      -2.484846     -6.495882      0.837759
  C      -3.660319     -1.757866      0.143812
  C      -3.351149     -2.011891      1.621798
  C      -1.993341     -1.383541      2.064214
  C      -0.771253     -2.144195      1.636846
  C      -0.259199     -3.164397      2.455380
  C       0.837656     -3.923504      2.054486
  C       1.460751     -3.683545      0.821815
  C       2.639111     -4.492637      0.395160
  Cl      4.214110     -3.754688      0.975656
  C       0.965965     -2.654800      0.008345
  C      -0.132023     -1.896296      0.411791
  C      -7.841335     -5.370206      5.220168
  C      -7.078005     -4.450161      4.264044
  C      -7.951708     -4.019615      3.054556
  C      -9.146656     -3.203925      3.465116
  C     -10.441666     -3.741047      3.456573
  C     -11.535571     -2.987323      3.879868
  C     -11.363569     -1.670698      4.326373
  C     -12.530397     -0.865464      4.790056
  Cl    -12.835658     -1.091079      6.584552
  C     -10.070983     -1.127128      4.333721
  C      -8.980501     -1.881808      3.908478
  C      -0.673101     -4.343211      6.481970
  C      -2.170311     -4.153858      6.220256
  C      -3.043783     -4.564975      7.447140
  C      -3.204450     -6.046269      7.629219
  C      -2.274379     -6.814209      8.347310
  C      -2.388064     -8.202491      8.412003
  C      -3.446306     -8.862608      7.772279
  C      -3.545996    -10.349880      7.799116
  Cl     -2.750971    -11.092359      6.319124
  C      -4.403244     -8.096838      7.092417
  C      -4.282729     -6.711530      7.022937
  H      -4.627951     -2.202609     -0.130145
  H      -3.722702     -0.674578     -0.031497
  H      -2.892764     -2.161998     -0.531023
  H      -4.112753     -1.480251      2.209792
  H      -1.957414     -0.352088      1.679305
  H      -2.016778     -1.329380      3.162778
  H      -0.745611     -3.368437      3.411485
  H       1.224783     -4.711233      2.706415
  H       2.733355     -4.546240     -0.694865
  H       2.623920     -5.502399      0.819645
  H       1.452191     -2.445085     -0.947537
  H      -0.502296     -1.096309     -0.233658
  H      -8.736678     -4.855486      5.594856
  H      -8.171015     -6.296609      4.726693
  H      -7.215817     -5.640406      6.082678
  H      -6.819846     -3.531590      4.809654
  H      -7.303671     -3.429850      2.387685
  H      -8.283947     -4.910534      2.497927
  H     -10.592541     -4.766612      3.110681
  H     -12.537013     -3.424403      3.866249
  H     -12.370428      0.210370      4.660750
  H     -13.463856     -1.166696      4.302392
  H      -9.921940     -0.100399      4.676751
  H      -7.980018     -1.441803      3.917735
  H      -0.374344     -3.725008      7.340332
  H      -0.080353     -4.022063      5.613250
  H      -0.408123     -5.384519      6.711225
  H      -2.346830     -3.075852      6.096050
  H      -4.033826     -4.109348      7.298403
  H      -2.596350     -4.110334      8.345206
  H      -1.446297     -6.316931      8.857452
  H      -1.645686     -8.785843      8.961998
  H      -4.583054    -10.701042      7.768591
  H      -3.024620    -10.789862      8.655832
  H      -5.244691     -8.597129      6.605830
  H      -5.022536     -6.125774      6.474146
  N      -4.462444     -2.584632      4.562519
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939597676585
  N      -3.443858     -3.420124      2.013442
  C      -3.033830     -4.391546      0.995742
  C      -2.596407     -5.715269      1.615010
  N      -3.512636     -6.129484      2.679544
  C      -4.810830     -6.627284      2.219632
  C      -5.885291     -6.365298      3.271911
  N      -5.800553     -5.000810      3.795182
  Mo     -4.066832     -4.019910      3.803162
  N      -2.647088     -4.783708      4.972026
  C      -2.000917     -6.052998      4.622513
  C      -2.892721     -6.923370      3.744127
  H      -1.767980     -6.637611      5.526321
  H      -1.033312     -5.864402      4.117120
  H      -3.699883     -7.328704      4.368692
  H      -2.316377     -7.780033      3.342259
  H      -6.866193     -6.545506      2.799879
  H      -5.802253     -7.103662      4.093196
  H      -5.069239     -6.071648      1.306432
  H      -4.775272     -7.704962      1.962960
  H      -2.180257     -4.008372      0.413471
  H      -3.854257     -4.559002      0.270757
  H      -1.608024     -5.570984      2.072055
  H      -2.493221     -6.489875      0.829129
  C      -3.648674     -1.748395      0.139948
  C      -3.341484     -2.003837      1.618045
  C      -1.981687     -1.381201      2.061371
  C      -0.762753     -2.148751      1.638525
  C      -0.255144     -3.166659      2.462447
  C       0.838859     -3.932055      2.066038
  C       1.463625     -3.700758      0.832623
  C       2.638973     -4.516380      0.410702
  Cl      4.216521     -3.782536      0.988940
  C       0.973346     -2.674167      0.013830
  C      -0.121792     -1.909417      0.412851
  C      -7.831670     -5.355638      5.227543
  C      -7.076830     -4.438435      4.262356
  C      -7.958703     -4.016478      3.055878
  C      -9.155655     -3.205324      3.469097
  C     -10.447664     -3.749367      3.469281
  C     -11.543589     -2.999517      3.893772
  C     -11.376631     -1.680017      4.333401
  C     -12.545748     -0.878607      4.797387
  Cl    -12.842359     -1.094982      6.594338
  C     -10.086867     -1.129816      4.332894
  C      -8.994390     -1.880610      3.906042
  C      -0.679165     -4.337445      6.479779
  C      -2.176534     -4.151767      6.218244
  C      -3.051163     -4.568373      7.442159
  C      -3.206346     -6.050014      7.623849
  C      -2.275174     -6.814013      8.344621
  C      -2.384044     -8.202454      8.410215
  C      -3.438314     -8.866984      7.768501
  C      -3.533698    -10.354325      7.798458
  Cl     -2.733441    -11.099315      6.322826
  C      -4.396039     -8.105289      7.085205
  C      -4.280432     -6.719680      7.015230
  H      -4.616695     -2.191028     -0.135570
  H      -3.708994     -0.664922     -0.034650
  H      -2.881288     -2.152951     -0.534660
  H      -4.101295     -1.469867      2.205947
  H      -1.939894     -0.351033      1.673593
  H      -2.007057     -1.322759      3.159609
  H      -0.742408     -3.363744      3.419544
  H       1.222505     -4.717792      2.722153
  H       2.733963     -4.575309     -0.678928
  H       2.619652     -5.524208      0.839475
  H       1.460989     -2.470781     -0.942533
  H      -0.487990     -1.110910     -0.236493
  H      -8.725568     -4.841521      5.606294
  H      -8.162855     -6.284772      4.740457
  H      -7.199630     -5.620539      6.086852
  H      -6.817750     -3.516257      4.801170
  H      -7.317199     -3.426191      2.383234
  H      -8.289803     -4.910333      2.503550
  H     -10.594656     -4.777069      3.128540
  H     -12.542612     -3.441918      3.886600
  H     -12.392574      0.197297      4.661077
  H     -13.479605     -1.187805      4.315654
  H      -9.941567     -0.100997      4.670771
  H      -7.996371     -1.435256      3.909152
  H      -0.382316     -3.721125      7.340104
  H      -0.087424     -4.011584      5.612339
  H      -0.410359     -5.378415      6.705772
  H      -2.356505     -3.074087      6.097030
  H      -4.042333     -4.116223      7.290911
  H      -2.608827     -4.112166      8.342021
  H      -1.450643     -6.313164      8.856725
  H      -1.641200     -8.782515      8.962781
  H      -4.569620    -10.708535      7.766566
  H      -3.013099    -10.790790      8.657375
  H      -5.234057     -8.609038      6.596589
  H      -5.020741     -6.136972      6.463877
  N      -4.458639     -2.572780      4.558278
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939615632386
  N      -3.438900     -3.410139      2.013482
  C      -3.038033     -4.383046      0.994132
  C      -2.606649     -5.709617      1.611557
  N      -3.521713     -6.118032      2.679547
  C      -4.821982     -6.614203      2.222181
  C      -5.893376     -6.348329      3.276261
  N      -5.807267     -4.981355      3.792288
  Mo     -4.070698     -4.005069      3.802376
  N      -2.658984     -4.778243      4.975453
  C      -2.009368     -6.044238      4.621641
  C      -2.900858     -6.913987      3.742473
  H      -1.771906     -6.628866      5.524217
  H      -1.043260     -5.851770      4.114566
  H      -3.707299     -7.321907      4.366055
  H      -2.323705     -7.768790      3.337888
  H      -6.876503     -6.531546      2.810125
  H      -5.807082     -7.082983      4.100597
  H      -5.080518     -6.060115      1.308167
  H      -4.788277     -7.692414      1.967330
  H      -2.184545     -4.003324      0.409540
  H      -3.861351     -4.545266      0.271193
  H      -1.615202     -5.573358      2.064018
  H      -2.513472     -6.484970      0.825177
  C      -3.631802     -1.732405      0.143818
  C      -3.325869     -1.993524      1.621232
  C      -1.960970     -1.382423      2.065273
  C      -0.747792     -2.157298      1.640058
  C      -0.245349     -3.179230      2.461990
  C       0.843328     -3.950909      2.063219
  C       1.467749     -3.722195      0.829172
  C       2.637230     -4.544520      0.404343
  Cl      4.220183     -3.822606      0.982253
  C       0.982828     -2.691438      0.012504
  C      -0.106837     -1.920366      0.414048
  C      -7.828037     -5.324615      5.240943
  C      -7.082100     -4.416288      4.260849
  C      -7.972470     -4.009939      3.055298
  C      -9.171596     -3.201268      3.466877
  C     -10.460091     -3.753180      3.480566
  C     -11.558322     -3.005265      3.902100
  C     -11.397334     -1.679771      4.325450
  C     -12.569149     -0.879968      4.784950
  Cl    -12.855012     -1.073464      6.586112
  C     -10.110973     -1.121936      4.312141
  C      -9.016165     -1.870914      3.888140
  C      -0.698652     -4.328962      6.491811
  C      -2.196295     -4.152021      6.227536
  C      -3.072802     -4.584042      7.444316
  C      -3.207936     -6.067727      7.622961
  C      -2.271325     -6.818612      8.350397
  C      -2.361153     -8.208274      8.415303
  C      -3.400971     -8.887661      7.765618
  C      -3.476901    -10.375927      7.797371
  Cl     -2.656274    -11.114050      6.329819
  C      -4.363399     -8.139661      7.073959
  C      -4.266937     -6.752633      7.005188
  H      -4.601785     -2.169410     -0.133451
  H      -3.687064     -0.648150     -0.027588
  H      -2.866429     -2.138041     -0.532277
  H      -4.081150     -1.455196      2.210738
  H      -1.911501     -0.351693      1.679712
  H      -1.985440     -1.324960      3.163545
  H      -0.732225     -3.374393      3.419589
  H       1.222784     -4.739812      2.717859
  H       2.730740     -4.601719     -0.685487
  H       2.612173     -5.553260      0.830615
  H       1.470330     -2.489608     -0.944181
  H      -0.468130     -1.118360     -0.233605
  H      -8.720130     -4.808842      5.621626
  H      -8.161195     -6.259207      4.765876
  H      -7.188815     -5.579210      6.097880
  H      -6.821818     -3.487163      4.786824
  H      -7.337887     -3.422796      2.373387
  H      -8.302493     -4.909660      2.512134
  H     -10.602567     -4.785517      3.152357
  H     -12.554509     -3.453894      3.905334
  H     -12.424274      0.194998      4.633185
  H     -13.503464     -1.201878      4.312605
  H      -9.970033     -0.088575      4.637561
  H      -8.021131     -1.419153      3.881062
  H      -0.408265     -3.717767      7.357991
  H      -0.107238     -3.991332      5.628767
  H      -0.421822     -5.369533      6.709830
  H      -2.384279     -3.074954      6.113952
  H      -4.068799     -4.144769      7.286979
  H      -2.643789     -4.123265      8.348381
  H      -1.458091     -6.305905      8.868659
  H      -1.614586     -8.777733      8.973709
  H      -4.507818    -10.743741      7.758668
  H      -2.957138    -10.804022      8.660962
  H      -5.189567     -8.655387      6.577931
  H      -5.010292     -6.180337      6.447200
  N      -4.456525     -2.556319      4.557951
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939621993794
  N      -3.434801     -3.402814      2.011418
  C      -3.037948     -4.376367      0.991114
  C      -2.607915     -5.703720      1.607954
  N      -3.521693     -6.109782      2.678224
  C      -4.822197     -6.607553      2.222148
  C      -5.893146     -6.340334      3.276386
  N      -5.808293     -4.971584      3.788273
  Mo     -4.071199     -3.996046      3.799609
  N      -2.663357     -4.771180      4.976183
  C      -2.009439     -6.034591      4.620545
  C      -2.898946     -6.905671      3.740416
  H      -1.769151     -6.619357      5.522236
  H      -1.044286     -5.838573      4.112977
  H      -3.704484     -7.315851      4.363650
  H      -2.320127     -7.758733      3.334669
  H      -6.876754     -6.526969      2.812724
  H      -5.804244     -7.072650      4.102575
  H      -5.081404     -6.054949      1.307400
  H      -4.787700     -7.686006      1.968705
  H      -2.185205     -3.998263      0.404432
  H      -3.863042     -4.537284      0.269883
  H      -1.615109     -5.569730      2.058060
  H      -2.518728     -6.479709      0.821782
  C      -3.620072     -1.721964      0.143607
  C      -3.315453     -1.986102      1.620713
  C      -1.947608     -1.382093      2.065569
  C      -0.738138     -2.162316      1.639591
  C      -0.239788     -3.186642      2.460990
  C       0.845140     -3.963238      2.061495
  C       1.469718     -3.737277      0.827066
  C       2.635140     -4.564791      0.401188
  Cl      4.221603     -3.850444      0.978861
  C       0.989024     -2.704127      0.010913
  C      -0.096784     -1.928077      0.413238
  C      -7.820541     -5.311939      5.248090
  C      -7.082686     -4.407226      4.258728
  C      -7.979791     -4.010238      3.055037
  C      -9.179755     -3.203349      3.467846
  C     -10.466052     -3.760043      3.491447
  C     -11.564981     -3.013734      3.913945
  C     -11.406986     -1.685010      4.328201
  C     -12.579575     -0.886796      4.788509
  Cl    -12.854778     -1.068765      6.592518
  C     -10.122879     -1.122403      4.304947
  C      -9.027350     -1.869866      3.880136
  C      -0.711201     -4.320959      6.502508
  C      -2.208249     -4.148275      6.232787
  C      -3.088707     -4.588572      7.443677
  C      -3.215200     -6.073299      7.619956
  C      -2.275978     -6.818875      8.349490
  C      -2.357890     -8.209009      8.413918
  C      -3.392183     -8.894378      7.761730
  C      -3.459855    -10.383074      7.794091
  Cl     -2.632247    -11.117674      6.328775
  C      -4.357000     -8.151924      7.067400
  C      -4.268528     -6.764347      6.999245
  H      -4.591625     -2.154945     -0.134474
  H      -3.671212     -0.637324     -0.026677
  H      -2.856078     -2.129702     -0.532808
  H      -4.068240     -1.445061      2.210888
  H      -1.892936     -0.351033      1.681513
  H      -1.971996     -1.325799      3.163914
  H      -0.726946     -3.379536      3.418904
  H       1.221263     -4.754034      2.715780
  H       2.727895     -4.621685     -0.688730
  H       2.605841     -5.573723      0.826747
  H       1.476713     -2.504473     -0.946147
  H      -0.454676     -1.124341     -0.234177
  H      -8.712427     -4.797261      5.630739
  H      -8.152896     -6.250528      4.780319
  H      -7.175479     -5.558965      6.102919
  H      -6.822402     -3.474122      4.777619
  H      -7.350358     -3.424467      2.367173
  H      -8.309473     -4.913557      2.517715
  H     -10.606191     -4.795000      3.170529
  H     -12.559414     -3.466136      3.925045
  H     -12.440064      0.187683      4.628466
  H     -13.515108     -1.215875      4.323570
  H      -9.984218     -0.086521      4.623289
  H      -8.034191     -1.414194      3.865143
  H      -0.426379     -3.713734      7.373340
  H      -0.117731     -3.976017      5.643739
  H      -0.430946     -5.361659      6.715581
  H      -2.400015     -3.071515      6.122951
  H      -4.086648     -4.155580      7.280968
  H      -2.668219     -4.126148      8.350895
  H      -1.466902     -6.301389      8.869504
  H      -1.609387     -8.774228      8.974069
  H      -4.488628    -10.756677      7.753619
  H      -2.939440    -10.807719      8.658993
  H      -5.178861     -8.672406      6.569186
  H      -5.014128     -6.196100      6.440028
  N      -4.456059     -2.546912      4.554450
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939627206446
  N      -3.433884     -3.394518      2.011735
  C      -3.041427     -4.367982      0.989544
  C      -2.613223     -5.696804      1.604732
  N      -3.526301     -6.101223      2.676611
  C      -4.826995     -6.599775      2.220820
  C      -5.898422     -6.331417      3.274467
  N      -5.814329     -4.961420      3.783591
  Mo     -4.075956     -3.987941      3.798173
  N      -2.672322     -4.765940      4.977793
  C      -2.014402     -6.026747      4.619540
  C      -2.902193     -6.898187      3.737578
  H      -1.771734     -6.612925      5.519600
  H      -1.050063     -5.827314      4.111735
  H      -3.707080     -7.310389      4.360422
  H      -2.322357     -7.749686      3.330169
  H      -6.882010     -6.520557      2.811848
  H      -5.808155     -7.062363      4.101782
  H      -5.086077     -6.047611      1.305691
  H      -4.792007     -7.678194      1.967738
  H      -2.189438     -3.991844      0.400552
  H      -3.868550     -4.527004      0.270170
  H      -1.619344     -5.565271      2.053285
  H      -2.527425     -6.472839      0.818283
  C      -3.609770     -1.708528      0.147574
  C      -3.306649     -1.977337      1.624028
  C      -1.935332     -1.382614      2.070537
  C      -0.730358     -2.168916      1.642810
  C      -0.235448     -3.195023      2.464033
  C       0.844857     -3.977483      2.063277
  C       1.468097     -3.755697      0.827478
  C       2.628592     -4.589190      0.399768
  Cl      4.219503     -3.882194      0.974611
  C       0.991084     -2.720676      0.011413
  C      -0.089985     -1.938726      0.415049
  C      -7.820739     -5.296507      5.251698
  C      -7.088501     -4.396474      4.254090
  C      -7.989945     -4.007868      3.050967
  C      -9.189813     -3.200494      3.463468
  C     -10.474951     -3.759576      3.495590
  C     -11.573671     -3.012801      3.917888
  C     -11.416648     -1.681195      4.323257
  C     -12.588958     -0.882428      4.783479
  Cl    -12.855476     -1.052920      6.589990
  C     -10.133781     -1.116192      4.291335
  C      -9.038450     -1.864167      3.866842
  C      -0.728135     -4.313071      6.513493
  C      -2.225021     -4.147015      6.239424
  C      -3.107851     -4.598573      7.444334
  C      -3.217404     -6.084898      7.619482
  C      -2.270671     -6.819324      8.350747
  C      -2.336597     -8.210274      8.415581
  C      -3.361823     -8.907895      7.762107
  C      -3.412130    -10.397299      7.795351
  Cl     -2.574676    -11.122743      6.331035
  C      -4.333912     -8.177033      7.065679
  C      -4.261516     -6.788491      6.997250
  H      -4.583831     -2.135499     -0.131210
  H      -3.654703     -0.623341     -0.021120
  H      -2.848118     -2.119651     -0.529513
  H      -4.056296     -1.433472      2.215604
  H      -1.874321     -0.350626      1.689820
  H      -1.959715     -1.329568      3.169077
  H      -0.721760     -3.384097      3.423200
  H       1.217945     -4.769740      2.717593
  H       2.719169     -4.646714     -0.690321
  H       2.595380     -5.597909      0.825588
  H       1.477912     -2.524465     -0.946853
  H      -0.445039     -1.133793     -0.232508
  H      -8.713463     -4.782721      5.633686
  H      -8.150884     -6.239629      4.791355
  H      -7.171876     -5.534864      6.106121
  H      -6.827926     -3.459719      4.766260
  H      -7.363692     -3.424599      2.358055
  H      -8.319979     -4.914419      2.519325
  H     -10.614211     -4.796899      3.181862
  H     -12.567234     -3.467009      3.935767
  H     -12.452542      0.191286      4.615712
  H     -13.525876     -1.216681      4.325022
  H      -9.995939     -0.078045      4.602732
  H      -8.046274     -1.406542      3.844845
  H      -0.449332     -3.711327      7.390109
  H      -0.133949     -3.957767      5.659321
  H      -0.442372     -5.353797      6.719039
  H      -2.422397     -3.070839      6.134192
  H      -4.109910     -4.177703      7.274723
  H      -2.699197     -4.131354      8.354500
  H      -1.468285     -6.292173      8.871452
  H      -1.582464     -8.766639      8.977155
  H      -4.436386    -10.783117      7.754297
  H      -2.887398    -10.815170      8.660962
  H      -5.148786     -8.707236      6.566183
  H      -5.013122     -6.228926      6.437327
  N      -4.459714     -2.538893      4.553278
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939629725940
  N      -3.432250     -3.394371      2.014219
  C      -3.040057     -4.367846      0.991771
  C      -2.611375     -5.696615      1.606901
  N      -3.524677     -6.101358      2.678628
  C      -4.824958     -6.600545      2.222415
  C      -5.897148     -6.332286      3.275390
  N      -5.813701     -4.962141      3.784238
  Mo     -4.075205     -3.988860      3.799970
  N      -2.671906     -4.765924      4.980261
  C      -2.013521     -6.026678      4.622401
  C      -2.900728     -6.898247      3.739796
  H      -1.771372     -6.613449      5.522194
  H      -1.048951     -5.827166      4.115093
  H      -3.705814     -7.310181      4.362658
  H      -2.320926     -7.749869      3.332656
  H      -6.880190     -6.522033      2.811833
  H      -5.806976     -7.063133      4.102853
  H      -5.083942     -6.048390      1.307194
  H      -4.789446     -7.678919      1.969363
  H      -2.188510     -3.992222      0.401878
  H      -3.867711     -4.527354      0.273084
  H      -1.617823     -5.564156      2.055986
  H      -2.524592     -6.472715      0.820648
  C      -3.608657     -1.706850      0.151195
  C      -3.304123     -1.976945      1.627063
  C      -1.932077     -1.383616      2.073088
  C      -0.727648     -2.168594      1.641013
  C      -0.229705     -3.195391      2.459546
  C       0.850110     -3.976666      2.054895
  C       1.469721     -3.752855      0.817658
  C       2.629609     -4.584946      0.385508
  Cl      4.221630     -3.877231      0.956810
  C       0.989738     -2.717092      0.004190
  C      -0.090761     -1.936366      0.411706
  C      -7.819449     -5.296829      5.252792
  C      -7.088211     -4.397350      4.253983
  C      -7.989858     -4.010517      3.050473
  C      -9.189515     -3.202449      3.462415
  C     -10.474787     -3.761301      3.495539
  C     -11.573240     -3.013864      3.917511
  C     -11.415757     -1.681868      4.321510
  C     -12.587672     -0.882441      4.781738
  Cl    -12.853204     -1.051720      6.588607
  C     -10.132794     -1.117061      4.288433
  C      -9.037744     -1.865666      3.864241
  C      -0.730381     -4.313958      6.519404
  C      -2.226761     -4.147293      6.242929
  C      -3.112183     -4.598560      7.446032
  C      -3.222200     -6.084956      7.621369
  C      -2.274981     -6.819624      8.351888
  C      -2.341067     -8.210595      8.416600
  C      -3.366912     -8.908016      7.763850
  C      -3.416767    -10.397510      7.796497
  Cl     -2.580831    -11.121736      6.330584
  C      -4.339700     -8.176927      7.068570
  C      -4.267160     -6.788309      7.000240
  H      -4.583948     -2.131958     -0.126321
  H      -3.651718     -0.621531     -0.017239
  H      -2.848700     -2.119410     -0.526946
  H      -4.052853     -1.433166      2.219943
  H      -1.871595     -0.350318      1.695808
  H      -1.954797     -1.334560      3.171869
  H      -0.713513     -3.385775      3.419746
  H       1.225365     -4.769609      2.707188
  H       2.717103     -4.640903     -0.704925
  H       2.598483     -5.594236      0.810156
  H       1.473903     -2.519457     -0.955178
  H      -0.448177     -1.130846     -0.233867
  H      -8.713681     -4.784333      5.633059
  H      -8.146912     -6.241769      4.794160
  H      -7.170453     -5.531728      6.108135
  H      -6.828021     -3.459989      4.765274
  H      -7.363652     -3.428054      2.356827
  H      -8.319954     -4.917882      2.520219
  H     -10.614285     -4.798957      3.182903
  H     -12.566966     -3.467775      3.936158
  H     -12.450931      0.191130      4.613242
  H     -13.524938     -1.216744      4.323990
  H      -9.994745     -0.078564      4.598693
  H      -8.045410     -1.408334      3.841232
  H      -0.452843     -3.714254      7.397845
  H      -0.134804     -3.956831      5.666920
  H      -0.445171     -5.355234      6.722952
  H      -2.423529     -3.071048      6.137201
  H      -4.114022     -4.178303      7.273488
  H      -2.705831     -4.130803      8.356956
  H      -1.472015     -6.292667      8.871913
  H      -1.586584     -8.767194      8.977552
  H      -4.440901    -10.783826      7.756579
  H      -2.890672    -10.815494      8.661243
  H      -5.155242     -8.706876      6.569818
  H      -5.019447     -6.228413      6.441472
  N      -4.459789     -2.539957      4.554788
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939630786465
  N      -3.432073     -3.392447      2.015196
  C      -3.040965     -4.365955      0.992303
  C      -2.612459     -5.695066      1.606776
  N      -3.525935     -6.100033      2.678261
  C      -4.826318     -6.598668      2.222036
  C      -5.898296     -6.330252      3.275144
  N      -5.814646     -4.960135      3.783892
  Mo     -4.075669     -3.987728      3.800387
  N      -2.672737     -4.765443      4.980437
  C      -2.014873     -6.026306      4.622061
  C      -2.902381     -6.897359      3.739284
  H      -1.772948     -6.613726      5.521486
  H      -1.050326     -5.826779      4.114720
  H      -3.707644     -7.308840      4.362230
  H      -2.323022     -7.749249      3.332078
  H      -6.881213     -6.519783      2.811212
  H      -5.808205     -7.061010      4.102681
  H      -5.085306     -6.046215      1.306986
  H      -4.791270     -7.677064      1.968929
  H      -2.189633     -3.990798      0.401828
  H      -3.869364     -4.524916      0.274337
  H      -1.619022     -5.562574      2.056140
  H      -2.525445     -6.470868      0.820274
  C      -3.606489     -1.703675      0.153130
  C      -3.301991     -1.975051      1.628742
  C      -1.929143     -1.384139      2.075272
  C      -0.725790     -2.170291      1.642175
  C      -0.228815     -3.198160      2.459952
  C       0.849919     -3.980549      2.054489
  C       1.469312     -3.756780      0.817142
  C       2.627958     -4.590135      0.384073
  Cl      4.221218     -3.884607      0.954796
  C       0.990276     -2.719997      0.004374
  C      -0.089124     -1.938167      0.412695
  C      -7.820226     -5.294470      5.252703
  C      -7.089220     -4.395254      4.253456
  C      -7.990946     -4.009278      3.049741
  C      -9.191176     -3.201915      3.461385
  C     -10.476202     -3.761427      3.493573
  C     -11.575266     -3.014729      3.915314
  C     -11.418611     -1.682869      4.320094
  C     -12.591120     -0.884257      4.780247
  Cl    -12.857507     -1.054950      6.586894
  C     -10.135891     -1.117385      4.287932
  C      -9.040247     -1.865221      3.863875
  C      -0.730843     -4.313818      6.519037
  C      -2.227373     -4.147338      6.243258
  C      -3.112776     -4.598754      7.446202
  C      -3.221371     -6.085227      7.622179
  C      -2.273049     -6.818716      8.352528
  C      -2.337353     -8.209774      8.417216
  C      -3.362456     -8.908449      7.764594
  C      -3.410086    -10.398037      7.796787
  Cl     -2.573763    -11.120336      6.330102
  C      -4.336477     -8.178573      7.069768
  C      -4.265685     -6.789828      7.001433
  H      -4.583013     -2.126239     -0.123984
  H      -3.646812     -0.618188     -0.014891
  H      -2.847943     -2.118045     -0.525481
  H      -4.049841     -1.430653      2.222198
  H      -1.867277     -0.350393      1.699454
  H      -1.951704     -1.336862      3.174132
  H      -0.712691     -3.388398      3.420161
  H       1.224468     -4.774303      2.706192
  H       2.714792     -4.645780     -0.706427
  H       2.595723     -5.599512      0.808434
  H       1.474456     -2.522435     -0.955006
  H      -0.445766     -1.131800     -0.232244
  H      -8.715361     -4.782586      5.631674
  H      -8.146071     -6.240397      4.794966
  H      -7.171443     -5.527444      6.108730
  H      -6.829161     -3.457727      4.764504
  H      -7.364949     -3.426671      2.356030
  H      -8.320397     -4.917109      2.519911
  H     -10.615011     -4.798969      3.180249
  H     -12.568803     -3.469093      3.933139
  H     -12.454667      0.189482      4.612580
  H     -13.527994     -1.218641      4.321757
  H      -9.998572     -0.078963      4.598767
  H      -8.048094     -1.407453      3.841559
  H      -0.453328     -3.715839      7.398665
  H      -0.135822     -3.954585      5.667051
  H      -0.445067     -5.355402      6.720173
  H      -2.424184     -3.071073      6.137684
  H      -4.114997     -4.179869      7.272630
  H      -2.707399     -4.129967      8.357039
  H      -1.470725     -6.290779      8.872536
  H      -1.582132     -8.765463      8.978077
  H      -4.433620    -10.785982      7.757291
  H      -2.882861    -10.815424      8.661140
  H      -5.151453     -8.709539      6.571166
  H      -5.018611     -6.230792      6.442663
  N      -4.459968     -2.538968      4.555799
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5655524-2nvy/orca E -7148.939631378316
  N      -3.431382     -3.391523      2.016029
  C      -3.041103     -4.365224      0.993067
  C      -2.612825     -5.694443      1.607333
  N      -3.526789     -6.099623      2.678241
  C      -4.827223     -6.597663      2.221727
  C      -5.899032     -6.329035      3.274886
  N      -5.815268     -4.958882      3.783316
  Mo     -4.075888     -3.987218      3.800669
  N      -2.673433     -4.765399      4.980771
  C      -2.016257     -6.026526      4.622436
  C      -2.904002     -6.897099      3.739539
  H      -1.774929     -6.614146      5.521913
  H      -1.051483     -5.827364      4.115369
  H      -3.709653     -7.308027      4.362304
  H      -2.324965     -7.749372      3.332651
  H      -6.881915     -6.518419      2.810810
  H      -5.809054     -7.059580      4.102582
  H      -5.086034     -6.045127      1.306709
  H      -4.792608     -7.676133      1.968730
  H      -2.189886     -3.990363      0.402241
  H      -3.869988     -4.523791      0.275574
  H      -1.619648     -5.561880      2.057213
  H      -2.525343     -6.470051      0.820695
  C      -3.604383     -1.701929      0.154683
  C      -3.299922     -1.974169      1.630110
  C      -1.926553     -1.384908      2.076972
  C      -0.723851     -2.171442      1.642770
  C      -0.226719     -3.199688      2.459943
  C       0.851418     -3.982408      2.053527
  C       1.469976     -3.758579      0.815779
  C       2.627864     -4.592409      0.381637
  Cl      4.222047     -3.887685      0.950774
  C       0.990776     -2.721405      0.003600
  C      -0.087996     -1.939249      0.412896
  C      -7.820221     -5.292847      5.253094
  C      -7.089773     -4.393928      4.253120
  C      -7.992039     -4.008760      3.049530
  C      -9.192602     -3.201905      3.461105
  C     -10.477426     -3.761869      3.492815
  C     -11.576876     -3.015661      3.914390
  C     -11.420790     -1.683844      4.319508
  C     -12.593698     -0.885719      4.779412
  Cl    -12.860967     -1.057168      6.585861
  C     -10.138249     -1.117908      4.287857
  C      -9.042226     -1.865253      3.863938
  C      -0.731262     -4.313675      6.518787
  C      -2.227869     -4.147350      6.243538
  C      -3.113352     -4.598602      7.446308
  C      -3.221353     -6.085044      7.622698
  C      -2.272519     -6.818004      8.352925
  C      -2.335912     -8.209091      8.417403
  C      -3.360583     -8.908315      7.764634
  C      -3.407129    -10.397921      7.796494
  Cl     -2.570634    -11.119336      6.329473
  C      -4.335134     -8.178978      7.070007
  C      -4.265235     -6.790172      7.001910
  H      -4.581810     -2.122560     -0.122133
  H      -3.642644     -0.616320     -0.013008
  H      -2.846932     -2.117569     -0.524336
  H      -4.047163     -1.429350      2.223963
  H      -1.863951     -0.350773      1.702339
  H      -1.948877     -1.338984      3.175879
  H      -0.710075     -3.389883      3.420413
  H       1.226167     -4.776441      2.704748
  H       2.713651     -4.648108     -0.708934
  H       2.595518     -5.601740      0.806080
  H       1.474427     -2.523799     -0.956017
  H      -0.444739     -1.132526     -0.231513
  H      -8.715919     -4.781398      5.631287
  H      -8.144984     -6.239562      4.796298
  H      -7.171343     -5.524240      6.109465
  H      -6.829634     -3.456216      4.763751
  H      -7.366503     -3.426236      2.355342
  H      -8.321220     -4.916999      2.520291
  H     -10.615778     -4.799348      3.179125
  H     -12.570245     -3.470366      3.931826
  H     -12.457408      0.188109      4.612228
  H     -13.530266     -1.220150      4.320352
  H     -10.001416     -0.079517      4.598959
  H      -8.050220     -1.407189      3.842031
  H      -0.453862     -3.717154      7.399438
  H      -0.136688     -3.952627      5.667290
  H      -0.444896     -5.355472      6.717920
  H      -2.424707     -3.071085      6.137909
  H      -4.115660     -4.180263      7.272024
  H      -2.708554     -4.129233      8.357103
  H      -1.470587     -6.289634      8.873075
  H      -1.580372     -8.764390      8.978182
  H      -4.430346    -10.786699      7.757190
  H      -2.879358    -10.815063      8.660630
  H      -5.149735     -8.710389      6.571302
  H      -5.018337     -6.231493      6.443028
  N      -4.459998     -2.538449      4.556329
