76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.695701251409
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
  N      -4.779683     -2.751554      5.103792
  H      -5.096019     -1.990281      5.702755
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.794565456618
  N      -3.590667     -3.561138      2.172028
  C      -2.656176     -4.053866      1.181643
  C      -2.222185     -5.434571      1.674908
  N      -3.310166     -5.986909      2.513824
  C      -4.439914     -6.435328      1.646280
  C      -5.737507     -6.482806      2.458437
  N      -5.725061     -5.301209      3.294034
  Mo     -4.117884     -4.364762      3.844260
  N      -3.336551     -5.684387      4.997549
  C      -2.289738     -6.616541      4.624186
  C      -2.789579     -7.150135      3.282617
  H      -2.193446     -7.427193      5.354472
  H      -1.316572     -6.113066      4.524762
  H      -3.606095     -7.854940      3.468088
  H      -2.000616     -7.660991      2.720599
  H      -6.598157     -6.487384      1.778690
  H      -5.795322     -7.383830      3.090177
  H      -4.567021     -5.726186      0.822097
  H      -4.206448     -7.417838      1.221070
  H      -1.781731     -3.400618      1.074898
  H      -3.151805     -4.096610      0.200206
  H      -1.325450     -5.344867      2.297752
  H      -2.008387     -6.105297      0.834347
  C      -4.030764     -2.243490      2.111868
  C      -3.164496     -1.145801      1.909993
  C      -3.621071      0.154057      2.002203
  C      -4.932381      0.393976      2.374131
  F      -5.341057      1.664107      2.533708
  C      -5.835956     -0.652716      2.554981
  C      -7.200773     -0.453328      3.100531
  O      -8.087842     -1.267605      2.947942
  C      -7.421621      0.793083      3.987337
  O      -8.357579      1.535198      3.791011
  C      -6.414550      1.047226      5.086936
  O      -5.410373      0.391066      5.328917
  Cl     -6.720452      2.546092      5.902989
  C      -5.394150     -1.969436      2.323574
  C      -6.855887     -4.814536      3.913407
  C      -8.156129     -5.335447      3.972066
  C      -9.110555     -4.680168      4.741438
  C      -8.798390     -3.538511      5.467655
  F      -9.738681     -2.983703      6.252870
  C      -7.511816     -2.981418      5.436380
  C      -7.089841     -1.743278      6.155387
  O      -7.802072     -0.726057      6.177556
  C      -5.704098     -1.722025      6.687130
  O      -4.827265     -2.648066      6.441649
  C      -5.320844     -0.577051      7.533332
  O      -5.996752      0.234154      8.090889
  Cl     -3.568019     -0.529128      7.725215
  C      -6.600169     -3.638836      4.623552
  C      -3.700073     -5.538787      6.330523
  C      -2.739393     -5.360504      7.349055
  C      -3.124970     -5.127582      8.654794
  C      -4.473564     -5.057754      8.968081
  F      -4.832471     -4.788971     10.235792
  C      -5.456510     -5.288357      8.001989
  C      -6.901293     -5.207584      8.277851
  O      -7.756721     -5.447936      7.449435
  C      -7.318355     -4.665579      9.654160
  O      -7.744692     -5.311016     10.571296
  C      -7.188340     -3.133783      9.657510
  O      -6.321095     -2.537032      9.074507
  Cl     -8.466261     -2.341456     10.507193
  C      -5.051712     -5.561193      6.686132
  H      -2.121368     -1.311595      1.671177
  H      -2.961827      0.994374      1.829785
  H      -6.149429     -2.749951      2.272851
  H      -8.428886     -6.238184      3.441998
  H     -10.119809     -5.063759      4.807400
  H      -5.575199     -3.183465      4.504608
  H      -1.683654     -5.403784      7.111007
  H      -2.393940     -4.977355      9.438020
  H      -5.826227     -5.836673      5.977308
  N      -4.768407     -2.766226      5.104985
  H      -5.106612     -1.971599      5.714682
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.864818467699
  N      -3.583087     -3.560373      2.144709
  C      -2.644504     -4.064012      1.161156
  C      -2.215189     -5.444622      1.660645
  N      -3.307062     -5.996607      2.500135
  C      -4.438102     -6.446496      1.630997
  C      -5.737427     -6.489156      2.440333
  N      -5.733488     -5.304335      3.274559
  Mo     -4.117826     -4.365664      3.827573
  N      -3.335045     -5.688953      4.995359
  C      -2.287977     -6.621492      4.617494
  C      -2.787369     -7.158952      3.276192
  H      -2.191397     -7.431613      5.350742
  H      -1.313079     -6.119163      4.515286
  H      -3.604947     -7.863479      3.462910
  H      -1.997028     -7.672165      2.713929
  H      -6.597101     -6.494797      1.756450
  H      -5.796564     -7.391196      3.073440
  H      -4.561325     -5.738002      0.804855
  H      -4.204147     -7.432202      1.207508
  H      -1.765818     -3.413136      1.055075
  H      -3.136513     -4.110545      0.176372
  H      -1.319920     -5.354488      2.287348
  H      -1.998869     -6.119878      0.821804
  C      -4.023328     -2.240241      2.082190
  C      -3.151409     -1.144553      1.883436
  C      -3.603413      0.160056      1.981681
  C      -4.915683      0.398640      2.357587
  F      -5.322331      1.672276      2.528058
  C      -5.823410     -0.648477      2.531570
  C      -7.186514     -0.458336      3.086543
  O      -8.079474     -1.270996      2.925947
  C      -7.403691      0.762249      4.011441
  O      -8.346455      1.505401      3.845694
  C      -6.377525      0.978657      5.113141
  O      -5.377794      0.311845      5.306396
  Cl     -6.671731      2.443976      6.008002
  C      -5.385367     -1.964303      2.291696
  C      -6.871959     -4.814601      3.891245
  C      -8.172919     -5.336227      3.948061
  C      -9.132540     -4.676768      4.717614
  C      -8.822055     -3.533867      5.446331
  F      -9.767972     -2.982636      6.231591
  C      -7.534211     -2.973753      5.420101
  C      -7.121631     -1.725086      6.159311
  O      -7.855234     -0.721834      6.171176
  C      -5.743280     -1.671730      6.722573
  O      -4.814966     -2.631538      6.486419
  C      -5.380231     -0.531499      7.572972
  O      -6.078194      0.269885      8.124799
  Cl     -3.614153     -0.461675      7.798044
  C      -6.627981     -3.639085      4.600111
  C      -3.699041     -5.539523      6.331169
  C      -2.732251     -5.354263      7.346469
  C      -3.105883     -5.115411      8.656914
  C      -4.452278     -5.047005      8.979050
  F      -4.798624     -4.772491     10.252359
  C      -5.444699     -5.283274      8.021485
  C      -6.888713     -5.200638      8.314484
  O      -7.757183     -5.448431      7.494412
  C      -7.313354     -4.652984      9.691163
  O      -7.739265     -5.311183     10.606195
  C      -7.200669     -3.114337      9.714887
  O      -6.333618     -2.501574      9.145875
  Cl     -8.495091     -2.344249     10.578338
  C      -5.049876     -5.562562      6.698790
  H      -2.105482     -1.315535      1.646570
  H      -2.939273      1.001867      1.814473
  H      -6.141207     -2.745467      2.241980
  H      -8.445211     -6.243275      3.417173
  H     -10.144689     -5.062414      4.782233
  H      -5.586843     -3.177949      4.480404
  H      -1.675481     -5.396790      7.099251
  H      -2.366345     -4.959839      9.435659
  H      -5.829740     -5.840931      5.994973
  N      -4.753933     -2.749083      5.092011
  H      -5.112887     -1.914975      5.708794
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.914949616251
  N      -3.569833     -3.561288      2.132379
  C      -2.630478     -4.076178      1.153515
  C      -2.212131     -5.461408      1.650045
  N      -3.308403     -6.014164      2.487814
  C      -4.444434     -6.455388      1.617320
  C      -5.743823     -6.492160      2.425779
  N      -5.743319     -5.309375      3.264977
  Mo     -4.112855     -4.378625      3.822876
  N      -3.331523     -5.715858      4.998339
  C      -2.289392     -6.650037      4.606750
  C      -2.792883     -7.181299      3.264003
  H      -2.193974     -7.464258      5.337600
  H      -1.311069     -6.152646      4.502506
  H      -3.614130     -7.882947      3.449182
  H      -2.004819     -7.696568      2.697021
  H      -6.603382     -6.491462      1.739314
  H      -5.806906     -7.398681      3.054486
  H      -4.561570     -5.741806      0.793999
  H      -4.215202     -7.442279      1.189385
  H      -1.744585     -3.431833      1.050977
  H      -3.119445     -4.118989      0.165660
  H      -1.317709     -5.378797      2.280431
  H      -1.996962     -6.136937      0.809135
  C      -4.002947     -2.234386      2.071530
  C      -3.118130     -1.146778      1.881166
  C      -3.557741      0.165928      1.978683
  C      -4.874729      0.416104      2.340255
  F      -5.273227      1.696759      2.502549
  C      -5.796237     -0.621656      2.506553
  C      -7.173688     -0.420341      3.033077
  O      -8.063823     -1.233467      2.847520
  C      -7.458256      0.814058      3.931977
  O      -8.407296      1.527320      3.691425
  C      -6.509814      1.094133      5.098388
  O      -5.513984      0.464304      5.381648
  Cl     -6.913674      2.580258      5.930666
  C      -5.363917     -1.941605      2.273470
  C      -6.886976     -4.816497      3.883007
  C      -8.190412     -5.334207      3.937145
  C      -9.148171     -4.670195      4.713178
  C      -8.829957     -3.531971      5.449758
  F      -9.775372     -2.983700      6.241003
  C      -7.537818     -2.977411      5.425833
  C      -7.116266     -1.731069      6.183218
  O      -7.856905     -0.733861      6.192720
  C      -5.748163     -1.656803      6.766593
  O      -4.778701     -2.643785      6.544994
  C      -5.391667     -0.526367      7.613979
  O      -6.101832      0.268750      8.161309
  Cl     -3.611442     -0.445737      7.865716
  C      -6.648529     -3.646475      4.596278
  C      -3.692236     -5.569182      6.338193
  C      -2.717062     -5.386776      7.348374
  C      -3.076754     -5.146584      8.664105
  C      -4.421454     -5.074086      8.994473
  F      -4.755924     -4.797646     10.273182
  C      -5.423246     -5.306107      8.044825
  C      -6.863614     -5.213324      8.353687
  O      -7.746214     -5.460016      7.544593
  C      -7.291998     -4.661248      9.729830
  O      -7.720548     -5.330143     10.638434
  C      -7.186741     -3.118339      9.776508
  O      -6.316971     -2.496918      9.223865
  Cl     -8.491325     -2.364039     10.656791
  C      -5.040502     -5.587842      6.717202
  H      -2.070412     -1.330124      1.650999
  H      -2.882097      1.002792      1.817396
  H      -6.125422     -2.717796      2.218000
  H      -8.467913     -6.240427      3.401598
  H     -10.164231     -5.052431      4.777766
  H      -5.589886     -3.184070      4.476510
  H      -1.660588     -5.431856      7.090123
  H      -2.328607     -4.992803      9.438268
  H      -5.826891     -5.860195      6.016420
  N      -4.720201     -2.749811      5.100032
  H      -5.091533     -1.887209      5.715406
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.949684694669
  N      -3.576417     -3.557808      2.108377
  C      -2.631586     -4.079505      1.137868
  C      -2.210877     -5.461590      1.640658
  N      -3.305839     -6.021530      2.478888
  C      -4.440787     -6.471441      1.609647
  C      -5.739706     -6.511741      2.417347
  N      -5.756277     -5.326128      3.253255
  Mo     -4.122044     -4.382160      3.810880
  N      -3.329233     -5.716585      5.002891
  C      -2.281811     -6.642897      4.603748
  C      -2.782662     -7.182014      3.262911
  H      -2.179070     -7.455592      5.336844
  H      -1.305618     -6.140635      4.495337
  H      -3.600125     -7.888189      3.450354
  H      -1.991358     -7.694278      2.695281
  H      -6.598473     -6.518711      1.728060
  H      -5.797256     -7.419176      3.047065
  H      -4.558871     -5.759169      0.784776
  H      -4.205648     -7.459204      1.183658
  H      -1.744892     -3.434068      1.035776
  H      -3.115960     -4.129061      0.146986
  H      -1.318992     -5.373276      2.274917
  H      -1.989063     -6.140337      0.802644
  C      -4.013282     -2.230550      2.042051
  C      -3.126250     -1.143624      1.848002
  C      -3.554696      0.172361      1.949257
  C      -4.864550      0.422687      2.327992
  F      -5.257166      1.704678      2.509723
  C      -5.786759     -0.611300      2.504438
  C      -7.138909     -0.391131      3.076461
  O      -8.052007     -1.187096      2.928489
  C      -7.364494      0.845074      3.995362
  O      -8.319419      1.561767      3.797863
  C      -6.351220      1.129135      5.120040
  O      -5.339918      0.507202      5.348015
  Cl     -6.722766      2.621097      5.973865
  C      -5.370897     -1.935752      2.255517
  C      -6.911450     -4.842127      3.865905
  C      -8.209927     -5.374058      3.918867
  C      -9.175932     -4.715847      4.693979
  C      -8.868056     -3.573589      5.429657
  F      -9.821747     -3.036237      6.220573
  C      -7.579947     -3.006450      5.404923
  C      -7.174290     -1.756413      6.167857
  O      -7.944519     -0.783045      6.167910
  C      -5.817965     -1.636783      6.768058
  O      -4.792302     -2.629294      6.577054
  C      -5.494841     -0.499413      7.603293
  O      -6.230697      0.281255      8.136796
  Cl     -3.704545     -0.367883      7.879834
  C      -6.694728     -3.669984      4.575733
  C      -3.688938     -5.569439      6.345856
  C      -2.709237     -5.373579      7.350466
  C      -3.060509     -5.128519      8.668628
  C      -4.405084     -5.064553      9.003962
  F      -4.734326     -4.782651     10.284593
  C      -5.411032     -5.308336      8.061639
  C      -6.848580     -5.218735      8.381371
  O      -7.739660     -5.478419      7.583978
  C      -7.288395     -4.659096      9.752038
  O      -7.713734     -5.335967     10.656788
  C      -7.205580     -3.112030      9.809826
  O      -6.338820     -2.478315      9.270871
  Cl     -8.527585     -2.380634     10.699833
  C      -5.034410     -5.595849      6.733150
  H      -2.079133     -1.333555      1.613122
  H      -2.874519      1.007201      1.785818
  H      -6.135323     -2.711098      2.216769
  H      -8.478352     -6.286313      3.384909
  H     -10.189563     -5.108970      4.759471
  H      -5.625777     -3.193537      4.455159
  H      -1.652928     -5.411011      7.083342
  H      -2.307760     -4.963989      9.438310
  H      -5.822564     -5.873944      6.035098
  N      -4.726536     -2.736847      5.088365
  H      -5.126685     -1.849265      5.684670
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.976436401845
  N      -3.562354     -3.549615      2.102198
  C      -2.618078     -4.083352      1.137436
  C      -2.210925     -5.470368      1.636145
  N      -3.310365     -6.030290      2.470920
  C      -4.451344     -6.467682      1.601564
  C      -5.750212     -6.499652      2.409315
  N      -5.767379     -5.317082      3.249981
  Mo     -4.115720     -4.387435      3.810620
  N      -3.328040     -5.734610      5.011339
  C      -2.288161     -6.663544      4.596485
  C      -2.793827     -7.195108      3.254799
  H      -2.187352     -7.480862      5.325862
  H      -1.308006     -6.168340      4.486320
  H      -3.616415     -7.896342      3.440210
  H      -2.006573     -7.710627      2.682855
  H      -6.608485     -6.498274      1.717993
  H      -5.814136     -7.411401      3.033433
  H      -4.561198     -5.749068      0.780637
  H      -4.224156     -7.455941      1.170257
  H      -1.723820     -3.446359      1.038790
  H      -3.098558     -4.128839      0.143669
  H      -1.320436     -5.391905      2.274416
  H      -1.990808     -6.148624      0.796314
  C      -3.989980     -2.216933      2.033767
  C      -3.092190     -1.137300      1.850683
  C      -3.514280      0.182668      1.952396
  C      -4.832091      0.438700      2.307499
  F      -5.224206      1.724286      2.475293
  C      -5.765491     -0.589037      2.464565
  C      -7.140759     -0.370172      2.981797
  O      -8.047623     -1.162726      2.787526
  C      -7.433516      0.867606      3.880648
  O      -8.378417      1.574279      3.618347
  C      -6.499250      1.154374      5.076321
  O      -5.518030      0.521750      5.371392
  Cl     -6.941177      2.640315      5.921254
  C      -5.347110     -1.912821      2.230513
  C      -6.926909     -4.829292      3.862662
  C      -8.228946     -5.353295      3.913143
  C      -9.188479     -4.688016      4.695299
  C      -8.870331     -3.552059      5.439356
  F      -9.820981     -3.017085      6.236481
  C      -7.576249     -2.993721      5.415419
  C      -7.153533     -1.753930      6.192768
  O      -7.923455     -0.780606      6.198702
  C      -5.804946     -1.630975      6.805238
  O      -4.748233     -2.642390      6.631259
  C      -5.481403     -0.507186      7.650165
  O      -6.218961      0.270539      8.185943
  Cl     -3.678772     -0.382707      7.956646
  C      -6.711281     -3.661599      4.577490
  C      -3.681128     -5.593407      6.358918
  C      -2.693675     -5.403691      7.357686
  C      -3.032959     -5.159827      8.680044
  C      -4.376348     -5.091279      9.022553
  F      -4.696291     -4.810932     10.306900
  C      -5.389915     -5.327057      8.086651
  C      -6.823463     -5.227477      8.417573
  O      -7.724774     -5.484127      7.629709
  C      -7.269404     -4.669810      9.787717
  O      -7.698650     -5.358798     10.681456
  C      -7.193446     -3.121599      9.870977
  O      -6.323267     -2.479652      9.352598
  Cl     -8.524365     -2.409280     10.778080
  C      -5.023393     -5.613649      6.755556
  H      -2.042756     -1.335739      1.628518
  H      -2.826328      1.014551      1.800409
  H      -6.112679     -2.687081      2.180974
  H      -8.506015     -6.262379      3.375627
  H     -10.205715     -5.074547      4.761671
  H      -5.629776     -3.190446      4.457056
  H      -1.638912     -5.444039      7.080487
  H      -2.273542     -4.999687      9.445404
  H      -5.816933     -5.881807      6.058523
  N      -4.684363     -2.731595      5.100920
  H      -5.089827     -1.821857      5.683569
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7995.997473505677
  N      -3.558637     -3.542535      2.092407
  C      -2.613216     -4.086373      1.134854
  C      -2.212376     -5.473871      1.634407
  N      -3.312975     -6.036818      2.466203
  C      -4.456191     -6.471031      1.598235
  C      -5.754347     -6.499828      2.405462
  N      -5.778893     -5.317355      3.245493
  Mo     -4.116876     -4.391037      3.806543
  N      -3.328429     -5.739384      5.021278
  C      -2.290724     -6.666171      4.595151
  C      -2.797078     -7.198608      3.255217
  H      -2.187088     -7.484779      5.323271
  H      -1.309636     -6.172958      4.482707
  H      -3.621233     -7.898179      3.440691
  H      -2.011053     -7.715643      2.682466
  H      -6.611298     -6.498551      1.711814
  H      -5.820096     -7.413425      3.027156
  H      -4.561207     -5.749485      0.779022
  H      -4.231524     -7.459377      1.165251
  H      -1.714693     -3.454466      1.037648
  H      -3.088818     -4.133027      0.138357
  H      -1.324406     -5.398169      2.276865
  H      -1.989171     -6.153223      0.795965
  C      -3.979476     -2.206230      2.015749
  C      -3.075619     -1.132818      1.831675
  C      -3.492954      0.190264      1.936021
  C      -4.811204      0.451259      2.296088
  F      -5.197068      1.738431      2.471116
  C      -5.749176     -0.572023      2.457825
  C      -7.121812     -0.360667      2.989366
  O      -8.022918     -1.161059      2.803521
  C      -7.438467      0.871720      3.890651
  O      -8.404811      1.549860      3.636140
  C      -6.497979      1.190430      5.076029
  O      -5.492232      0.591454      5.348671
  Cl     -6.983565      2.662187      5.930851
  C      -5.333414     -1.893543      2.218455
  C      -6.947127     -4.833874      3.852297
  C      -8.248130     -5.361010      3.900225
  C      -9.207555     -4.694652      4.684671
  C      -8.891180     -3.558828      5.431783
  F      -9.844127     -3.030194      6.230153
  C      -7.596089     -2.998349      5.406209
  C      -7.164159     -1.764945      6.183582
  O      -7.937447     -0.794177      6.195339
  C      -5.822895     -1.630248      6.798231
  O      -4.734358     -2.643311      6.656763
  C      -5.508865     -0.504722      7.640394
  O      -6.251180      0.272853      8.168802
  Cl     -3.696706     -0.363762      7.963292
  C      -6.741171     -3.665087      4.566499
  C      -3.674636     -5.604194      6.372677
  C      -2.682568     -5.412358      7.365936
  C      -3.016049     -5.167814      8.690164
  C      -4.359589     -5.100436      9.036141
  F      -4.676547     -4.819285     10.321226
  C      -5.376461     -5.336168      8.104262
  C      -6.807325     -5.231804      8.438675
  O      -7.713680     -5.494219      7.658023
  C      -7.263046     -4.671152      9.803356
  O      -7.694892     -5.365981     10.691007
  C      -7.197834     -3.122668      9.896114
  O      -6.325705     -2.475045      9.392101
  Cl     -8.537263     -2.424955     10.813157
  C      -5.014233     -5.624114      6.774055
  H      -2.027029     -1.337864      1.610127
  H      -2.801145      1.019317      1.785354
  H      -6.099358     -2.668507      2.182018
  H      -8.524964     -6.270819      3.363362
  H     -10.224138     -5.083305      4.752210
  H      -5.655930     -3.195684      4.446254
  H      -1.629214     -5.449544      7.081720
  H      -2.253906     -5.005345      9.452407
  H      -5.809493     -5.886268      6.075946
  N      -4.663478     -2.724307      5.096727
  H      -5.080743     -1.800008      5.643829
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.015555761513
  N      -3.557109     -3.530541      2.089987
  C      -2.610744     -4.081536      1.138075
  C      -2.215835     -5.470027      1.636550
  N      -3.317194     -6.037236      2.464742
  C      -4.463483     -6.467273      1.599184
  C      -5.760397     -6.494015      2.407600
  N      -5.790550     -5.312219      3.247893
  Mo     -4.118114     -4.391487      3.807016
  N      -3.328515     -5.739057      5.033307
  C      -2.293018     -6.663587      4.595391
  C      -2.801183     -7.196196      3.257421
  H      -2.185600     -7.484248      5.321111
  H      -1.311211     -6.171972      4.481063
  H      -3.626836     -7.894155      3.443030
  H      -2.016729     -7.714715      2.683595
  H      -6.616644     -6.492763      1.712565
  H      -5.827683     -7.409637      3.026426
  H      -4.564846     -5.742137      0.782504
  H      -4.242152     -7.455186      1.163212
  H      -1.708491     -3.454237      1.042412
  H      -3.081760     -4.128069      0.139050
  H      -1.330176     -5.397695      2.282910
  H      -1.989280     -6.149095      0.798573
  C      -3.971853     -2.192273      2.003588
  C      -3.064630     -1.121909      1.820872
  C      -3.479593      0.201666      1.926001
  C      -4.798561      0.464073      2.280305
  F      -5.183620      1.751357      2.453736
  C      -5.739565     -0.556254      2.437776
  C      -7.114436     -0.341843      2.957142
  O      -8.019296     -1.136380      2.763413
  C      -7.435803      0.894070      3.850928
  O      -8.397430      1.575373      3.589325
  C      -6.497426      1.201376      5.042910
  O      -5.499990      0.586686      5.311778
  Cl     -6.982427      2.666874      5.913827
  C      -5.324902     -1.878243      2.203508
  C      -6.966414     -4.834448      3.849250
  C      -8.266401     -5.364319      3.895771
  C      -9.224986     -4.698203      4.683487
  C      -8.911141     -3.563485      5.434125
  F      -9.865222     -3.041869      6.235122
  C      -7.615691     -3.000573      5.405962
  C      -7.171832     -1.777384      6.181951
  O      -7.946920     -0.806390      6.204488
  C      -5.832220     -1.640373      6.792325
  O      -4.721226     -2.648871      6.677687
  C      -5.525343     -0.515190      7.639347
  O      -6.267547      0.261190      8.167898
  Cl     -3.705457     -0.366350      7.975764
  C      -6.767699     -3.664992      4.562773
  C      -3.665927     -5.612961      6.389254
  C      -2.669784     -5.420596      7.377468
  C      -2.999333     -5.178703      8.703694
  C      -4.342687     -5.114526      9.053620
  F      -4.657273     -4.836509     10.339789
  C      -5.362556     -5.348742      8.124647
  C      -6.791619     -5.243294      8.461452
  O      -7.701089     -5.510858      7.685479
  C      -7.255671     -4.685708      9.823329
  O      -7.688044     -5.388153     10.704811
  C      -7.201549     -3.137945      9.926437
  O      -6.329385     -2.483091      9.434101
  Cl     -8.546947     -2.456190     10.854336
  C      -5.003484     -5.633918      6.794440
  H      -2.015453     -1.330078      1.605140
  H      -2.785500      1.029642      1.780006
  H      -6.089519     -2.655460      2.174916
  H      -8.543766     -6.274287      3.359476
  H     -10.240578     -5.089497      4.752690
  H      -5.685847     -3.201639      4.442204
  H      -1.617784     -5.453057      7.087351
  H      -2.235140     -5.015136      9.463614
  H      -5.799909     -5.888536      6.094301
  N      -4.641560     -2.719284      5.096782
  H      -5.065290     -1.785567      5.599694
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.032444805364
  N      -3.555972     -3.519388      2.090667
  C      -2.608871     -4.076369      1.143171
  C      -2.218568     -5.465400      1.640883
  N      -3.320660     -6.036046      2.465461
  C      -4.469138     -6.462537      1.601848
  C      -5.765298     -6.487461      2.410767
  N      -5.800598     -5.305817      3.251014
  Mo     -4.119250     -4.391197      3.808380
  N      -3.329660     -5.735680      5.045191
  C      -2.295716     -6.658639      4.598069
  C      -2.804833     -7.192028      3.262048
  H      -2.184952     -7.480988      5.321680
  H      -1.313334     -6.168274      4.482848
  H      -3.631965     -7.888350      3.447739
  H      -2.021495     -7.712498      2.688346
  H      -6.620434     -6.486917      1.714032
  H      -5.834427     -7.404415      3.027496
  H      -4.567205     -5.734445      0.787267
  H      -4.250751     -7.450073      1.163446
  H      -1.703629     -3.452998      1.048527
  H      -3.075876     -4.122823      0.142005
  H      -1.335036     -5.395736      2.290698
  H      -1.988480     -6.144175      0.803510
  C      -3.964637     -2.179386      1.994137
  C      -3.055741     -1.111495      1.810272
  C      -3.471223      0.212117      1.915602
  C      -4.790744      0.475416      2.268374
  F      -5.174946      1.762805      2.441012
  C      -5.732832     -0.543893      2.426856
  C      -7.109113     -0.333389      2.943059
  O      -8.011706     -1.130413      2.748179
  C      -7.439750      0.902907      3.832222
  O      -8.405910      1.578268      3.573497
  C      -6.497040      1.209606      5.020665
  O      -5.495146      0.595437      5.273949
  Cl     -6.986342      2.663775      5.908059
  C      -5.316894     -1.864973      2.195317
  C      -6.984034     -4.833787      3.845710
  C      -8.283056     -5.366123      3.890327
  C      -9.241036     -4.699690      4.680174
  C      -8.930222     -3.565303      5.433768
  F      -9.885358     -3.049547      6.236596
  C      -7.634713     -3.000255      5.403372
  C      -7.174575     -1.787037      6.175103
  O      -7.945150     -0.811102      6.211139
  C      -5.831357     -1.655553      6.776752
  O      -4.709281     -2.655696      6.685664
  C      -5.526159     -0.529468      7.626961
  O      -6.263519      0.250328      8.155581
  Cl     -3.699091     -0.378149      7.969379
  C      -6.790607     -3.662958      4.557404
  C      -3.658555     -5.619026      6.405011
  C      -2.660049     -5.426679      7.389682
  C      -2.988624     -5.187784      8.717179
  C      -4.331880     -5.126377      9.069356
  F      -4.645873     -4.851621     10.356021
  C      -5.353373     -5.358836      8.141471
  C      -6.781728     -5.252546      8.477626
  O      -7.691867     -5.524736      7.703488
  C      -7.252983     -4.696686      9.836394
  O      -7.686321     -5.403375     10.714184
  C      -7.206533     -3.149974      9.943910
  O      -6.334127     -2.491153      9.458512
  Cl     -8.554781     -2.477443     10.878670
  C      -4.995117     -5.640920      6.811560
  H      -2.006222     -1.321060      1.597852
  H      -2.776650      1.039950      1.771405
  H      -6.078981     -2.645133      2.177532
  H      -8.561073     -6.276414      3.355121
  H     -10.255678     -5.093380      4.750598
  H      -5.718301     -3.210399      4.436964
  H      -1.608913     -5.454354      7.096185
  H      -2.223776     -5.023443      9.476161
  H      -5.791617     -5.887749      6.108362
  N      -4.619220     -2.718309      5.093522
  H      -5.042300     -1.780605      5.542725
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.048971388605
  N      -3.556163     -3.508206      2.094395
  C      -2.608165     -4.069290      1.150150
  C      -2.221017     -5.458557      1.646927
  N      -3.323686     -6.032469      2.467996
  C      -4.473756     -6.456335      1.606048
  C      -5.769450     -6.480365      2.415255
  N      -5.809906     -5.298687      3.255546
  Mo     -4.121052     -4.389537      3.811174
  N      -3.331494     -5.729214      5.056833
  C      -2.298227     -6.650844      4.602479
  C      -2.807700     -7.185522      3.268248
  H      -2.184207     -7.474531      5.324250
  H      -1.315598     -6.161009      4.487011
  H      -3.635942     -7.880602      3.454050
  H      -2.025005     -7.707835      2.695296
  H      -6.623381     -6.481229      1.716834
  H      -5.839975     -7.398218      3.030449
  H      -4.569473     -5.725834      0.793254
  H      -4.257584     -7.443418      1.165528
  H      -1.700864     -3.448694      1.056423
  H      -3.071728     -4.115443      0.147206
  H      -1.339407     -5.390792      2.299753
  H      -1.987166     -6.136715      0.810025
  C      -3.959550     -2.167036      1.987465
  C      -3.050390     -1.100500      1.801929
  C      -3.467606      0.222593      1.906138
  C      -4.787591      0.485975      2.256433
  F      -5.171921      1.773315      2.426544
  C      -5.729843     -0.533154      2.415830
  C      -7.107684     -0.325103      2.927623
  O      -8.009114     -1.123148      2.730834
  C      -7.441561      0.912135      3.812971
  O      -8.408475      1.587556      3.558250
  C      -6.492543      1.211259      4.997454
  O      -5.490397      0.590690      5.235759
  Cl     -6.975429      2.654751      5.902954
  C      -5.311865     -1.853833      2.188737
  C      -7.000835     -4.832924      3.843367
  C      -8.298709     -5.368169      3.886015
  C      -9.256195     -4.701724      4.677608
  C      -8.948368     -3.567520      5.433916
  F      -9.904251     -3.057174      6.238865
  C      -7.653466     -3.000418      5.401357
  C      -7.174754     -1.797361      6.168343
  O      -7.937766     -0.814818      6.220388
  C      -5.823475     -1.676115      6.758340
  O      -4.698756     -2.663353      6.684399
  C      -5.518120     -0.549345      7.612556
  O      -6.249214      0.233199      8.144270
  Cl     -3.684740     -0.397485      7.956401
  C      -6.811203     -3.660870      4.552594
  C      -3.652424     -5.621988      6.420091
  C      -2.652703     -5.429827      7.402320
  C      -2.981966     -5.194702      8.730737
  C      -4.325080     -5.136636      9.084335
  F      -4.639371     -4.865881     10.371426
  C      -5.347362     -5.367333      8.156500
  C      -6.775698     -5.261484      8.490962
  O      -7.685173     -5.537549      7.717060
  C      -7.252295     -4.708621      9.847935
  O      -7.685979     -5.418630     10.723041
  C      -7.211285     -3.163061      9.958322
  O      -6.338677     -2.501615      9.477220
  Cl     -8.559522     -2.496588     10.899196
  C      -4.988685     -5.645418      6.826726
  H      -2.000278     -1.310086      1.593121
  H      -2.773394      1.050865      1.763213
  H      -6.071055     -2.637051      2.181020
  H      -8.577333     -6.278856      3.352073
  H     -10.269840     -5.097825      4.749243
  H      -5.752670     -3.221722      4.432325
  H      -1.602067     -5.452387      7.107088
  H      -2.217233     -5.029811      9.489600
  H      -5.784647     -5.884927      6.120185
  N      -4.597180     -2.720885      5.088953
  H      -5.014189     -1.783920      5.478551
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.065136039866
  N      -3.557108     -3.497624      2.100154
  C      -2.608173     -4.061407      1.158077
  C      -2.222971     -5.450726      1.653941
  N      -3.326185     -6.027534      2.471670
  C      -4.477285     -6.449680      1.611011
  C      -5.772891     -6.473560      2.420155
  N      -5.818645     -5.291600      3.260443
  Mo     -4.123415     -4.386863      3.814639
  N      -3.334019     -5.720322      5.067812
  C      -2.300744     -6.641062      4.608257
  C      -2.809950     -7.177676      3.275622
  H      -2.183738     -7.465593      5.328668
  H      -1.318106     -6.151214      4.493054
  H      -3.639068     -7.871738      3.461633
  H      -2.027491     -7.701947      2.704129
  H      -6.625494     -6.476571      1.719999
  H      -5.844349     -7.391884      3.034432
  H      -4.571400     -5.717344      0.799618
  H      -4.262622     -7.436318      1.168800
  H      -1.699584     -3.442624      1.065133
  H      -3.068890     -4.107033      0.153708
  H      -1.343115     -5.384128      2.309403
  H      -1.985183     -6.128107      0.817479
  C      -3.955933     -2.155607      1.983092
  C      -3.047362     -1.089824      1.795448
  C      -3.467060      0.232574      1.897738
  C      -4.787523      0.495583      2.245673
  F      -5.172501      1.782894      2.412672
  C      -5.729256     -0.524010      2.406682
  C      -7.108666     -0.318372      2.914935
  O      -8.008735     -1.117692      2.717015
  C      -7.443296      0.919618      3.797546
  O      -8.410539      1.596465      3.548697
  C      -6.486925      1.209811      4.977127
  O      -5.484585      0.582860      5.199636
  Cl     -6.959345      2.642802      5.900151
  C      -5.308737     -1.844269      2.184432
  C      -7.017064     -4.832185      3.841428
  C      -8.313708     -5.370559      3.882067
  C      -9.270511     -4.704025      4.675312
  C      -8.964944     -3.569870      5.434108
  F      -9.921119     -3.064298      6.241659
  C      -7.671145     -3.001030      5.399214
  C      -7.171493     -1.807491      6.161380
  O      -7.923840     -0.817423      6.231611
  C      -5.808280     -1.700236      6.737242
  O      -4.689310     -2.671089      6.673157
  C      -5.500884     -0.573148      7.595947
  O      -6.224830      0.211900      8.132523
  Cl     -3.661974     -0.422157      7.936193
  C      -6.829850     -3.659014      4.547564
  C      -3.647832     -5.621925      6.434002
  C      -2.647888     -5.429829      7.414782
  C      -2.979071     -5.198797      8.743803
  C      -4.322076     -5.144596      9.098051
  F      -4.637338     -4.878295     10.385589
  C      -5.344412     -5.373859      8.169487
  C      -6.773336     -5.269811      8.501487
  O      -7.681055     -5.549525      7.726717
  C      -7.253870     -4.720505      9.857630
  O      -7.686938     -5.432859     10.731214
  C      -7.217276     -3.175964      9.969078
  O      -6.345203     -2.512867      9.489213
  Cl     -8.563456     -2.513133     10.915247
  C      -4.984312     -5.647373      6.839765
  H      -1.996563     -1.298601      1.590030
  H      -2.773751      1.061610      1.755421
  H      -6.064856     -2.630467      2.186671
  H      -8.593081     -6.281706      3.349625
  H     -10.283235     -5.102203      4.748423
  H      -5.787354     -3.235183      4.427353
  H      -1.597429     -5.447054      7.119179
  H      -2.215060     -5.033346      9.503160
  H      -5.779283     -5.880176      6.129790
  N      -4.574999     -2.727210      5.081532
  H      -4.981357     -1.793843      5.408372
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.080547960284
  N      -3.558177     -3.487710      2.106868
  C      -2.608379     -4.053479      1.166156
  C      -2.224413     -5.442854      1.661320
  N      -3.328284     -6.022041      2.475885
  C      -4.480056     -6.443305      1.616278
  C      -5.775897     -6.467616      2.425202
  N      -5.827230     -5.285077      3.265294
  Mo     -4.126185     -4.383265      3.818145
  N      -3.336842     -5.709466      5.077967
  C      -2.303224     -6.629898      4.614940
  C      -2.811845     -7.169203      3.283776
  H      -2.183491     -7.454730      5.334588
  H      -1.320732     -6.139692      4.500178
  H      -3.641728     -7.862276      3.470336
  H      -2.029375     -7.695808      2.714417
  H      -6.627178     -6.473659      1.723377
  H      -5.847575     -7.386025      3.039233
  H      -4.573276     -5.709754      0.805831
  H      -4.266381     -7.429620      1.172853
  H      -1.698974     -3.435889      1.073883
  H      -3.066779     -4.098342      0.160656
  H      -1.346208     -5.376809      2.319165
  H      -1.982552     -6.119419      0.825314
  C      -3.953125     -2.145058      1.980110
  C      -3.045498     -1.079707      1.790174
  C      -3.467616      0.242125      1.889541
  C      -4.788589      0.504713      2.234669
  F      -5.174553      1.792178      2.397698
  C      -5.729600     -0.515464      2.397589
  C      -7.110563     -0.310828      2.902345
  O      -8.009938     -1.110526      2.703350
  C      -7.443607      0.927753      3.783669
  O      -8.409921      1.607771      3.540691
  C      -6.481087      1.207753      4.959853
  O      -5.479816      0.573931      5.168972
  Cl     -6.942310      2.630564      5.899066
  C      -5.306687     -1.835588      2.180975
  C      -7.033122     -4.831877      3.839893
  C      -8.328383     -5.373734      3.878839
  C      -9.284269     -4.707253      4.674053
  C      -8.980137     -3.573118      5.435135
  F      -9.936093     -3.072066      6.246092
  C      -7.687998     -3.002465      5.397379
  C      -7.166192     -1.817126      6.155650
  O      -7.906408     -0.820414      6.246139
  C      -5.788067     -1.726226      6.715082
  O      -4.682162     -2.678831      6.651980
  C      -5.477194     -0.600347      7.580013
  O      -6.193856      0.185597      8.124146
  Cl     -3.633496     -0.451421      7.912051
  C      -6.847755     -3.657630      4.542438
  C      -3.644552     -5.618810      6.446594
  C      -2.645073     -5.426409      7.426671
  C      -2.978808     -5.199613      8.756122
  C      -4.321786     -5.150043      9.110507
  F      -4.638403     -4.888572     10.398651
  C      -5.343628     -5.378437      8.180789
  C      -6.773547     -5.277902      8.510149
  O      -7.678882     -5.561043      7.733902
  C      -7.257052     -4.733309      9.866584
  O      -7.688217     -5.447977     10.739179
  C      -7.224795     -3.189571      9.978799
  O      -6.354349     -2.525015      9.497852
  Cl     -8.567537     -2.529721     10.930489
  C      -4.981508     -5.646752      6.850985
  H      -1.993933     -1.287445      1.588270
  H      -2.775241      1.071892      1.747380
  H      -6.059920     -2.624425      2.192969
  H      -8.608465     -6.285506      3.348198
  H     -10.296079     -5.107367      4.749233
  H      -5.821242     -3.250036      4.421671
  H      -1.594551     -5.438049      7.131580
  H      -2.215869     -5.033390      9.516319
  H      -5.775252     -5.873523      6.137683
  N      -4.552944     -2.737414      5.069774
  H      -4.946420     -1.806196      5.334108
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.094896140047
  N      -3.558579     -3.478419      2.113376
  C      -2.608259     -4.046405      1.173576
  C      -2.225442     -5.436043      1.668338
  N      -3.330137     -6.016956      2.479966
  C      -4.482519     -6.437835      1.621461
  C      -5.778746     -6.462801      2.430353
  N      -5.835987     -5.279406      3.269961
  Mo     -4.128941     -4.379022      3.821142
  N      -3.339312     -5.697624      5.087276
  C      -2.305548     -6.618452      4.621811
  C      -2.813739     -7.161040      3.292093
  H      -2.183360     -7.443128      5.341256
  H      -1.323224     -6.127879      4.507256
  H      -3.644447     -7.852902      3.479766
  H      -2.031285     -7.690591      2.725346
  H      -6.628878     -6.472681      1.727089
  H      -5.849790     -7.381013      3.044729
  H      -4.575407     -5.703614      0.811524
  H      -4.269726     -7.424046      1.177228
  H      -1.698111     -3.429899      1.081821
  H      -3.064837     -4.090306      0.167190
  H      -1.348798     -5.370221      2.328385
  H      -1.979572     -6.111840      0.832789
  C      -3.950168     -2.135200      1.977664
  C      -3.043268     -1.070358      1.785439
  C      -3.467059      0.251300      1.881066
  C      -4.788578      0.513850      2.222948
  F      -5.175530      1.801715      2.381479
  C      -5.729120     -0.506566      2.387951
  C      -7.111484     -0.301045      2.889161
  O      -8.011157     -1.099893      2.688982
  C      -7.441857      0.937880      3.770603
  O      -8.406423      1.621752      3.532293
  C      -6.475912      1.207906      4.946153
  O      -5.476321      0.568137      5.145604
  Cl     -6.928893      2.621349      5.899049
  C      -5.304472     -1.826916      2.177559
  C      -7.049257     -4.832234      3.838880
  C      -8.342901     -5.378027      3.876817
  C      -9.297793     -4.712024      4.674540
  C      -8.994672     -3.577866      5.437694
  F      -9.950068     -3.081497      6.252752
  C      -7.704716     -3.004762      5.396366
  C      -7.161156     -1.825726      6.151912
  O      -7.889777     -0.824555      6.263694
  C      -5.766751     -1.751660      6.692998
  O      -4.678397     -2.686657      6.622671
  C      -5.451298     -0.629008      7.566153
  O      -6.160879      0.155862      8.120418
  Cl     -3.603154     -0.482980      7.886325
  C      -6.866371     -3.656751      4.537595
  C      -3.641902     -5.613328      6.457888
  C      -2.643193     -5.420221      7.437659
  C      -2.979499     -5.197634      8.767511
  C      -4.322558     -5.153421      9.121790
  F      -4.640605     -4.897078     10.410742
  C      -5.343625     -5.381551      8.190851
  C      -6.774690     -5.286192      8.517799
  O      -7.677472     -5.572585      7.739900
  C      -7.260971     -4.747389      9.875285
  O      -7.688977     -5.464951     10.746938
  C      -7.233961     -3.204187      9.988780
  O      -6.366527     -2.537678      9.505106
  Cl     -8.573038     -2.548154     10.946589
  C      -4.979310     -5.644107      6.860856
  H      -1.990945     -1.277447      1.587200
  H      -2.775196      1.081438      1.738777
  H      -6.055274     -2.617854      2.199130
  H      -8.623337     -6.290731      3.348323
  H     -10.308567     -5.114294      4.752472
  H      -5.853278     -3.265167      4.415238
  H      -1.592498     -5.426131      7.143388
  H      -2.217719     -5.030379      9.528628
  H      -5.771795     -5.865436      6.144450
  N      -4.531352     -2.751070      5.052864
  H      -4.912509     -1.816215      5.257046
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.107963690006
  N      -3.557773     -3.469462      2.119539
  C      -2.607473     -4.040376      1.180354
  C      -2.226167     -5.430705      1.674741
  N      -3.331902     -6.012770      2.483495
  C      -4.485011     -6.433182      1.626249
  C      -5.781633     -6.458846      2.435517
  N      -5.845069     -5.274505      3.274527
  Mo     -4.131430     -4.374366      3.823613
  N      -3.341100     -5.685730      5.095789
  C      -2.307832     -6.607754      4.628297
  C      -2.816069     -7.153828      3.299993
  H      -2.183548     -7.432002      5.347927
  H      -1.325557     -6.117132      4.513516
  H      -3.647844     -7.844042      3.489336
  H      -2.033873     -7.687054      2.736144
  H      -6.630869     -6.473058      1.731133
  H      -5.851218     -7.376779      3.050538
  H      -4.577946     -5.698566      0.816598
  H      -4.273404     -7.419466      1.181318
  H      -1.696399     -3.425193      1.089064
  H      -3.062694     -4.082951      0.173291
  H      -1.351013     -5.365152      2.336883
  H      -1.976487     -6.105602      0.839455
  C      -3.946322     -2.125627      1.975888
  C      -3.039581     -1.061602      1.781628
  C      -3.464037      0.260355      1.872881
  C      -4.786200      0.523503      2.210840
  F      -5.173963      1.811962      2.364483
  C      -5.726787     -0.496636      2.377822
  C      -7.110442     -0.288489      2.875022
  O      -8.011316     -1.085423      2.673478
  C      -7.437978      0.950602      3.757380
  O      -8.400404      1.638349      3.522066
  C      -6.471276      1.211656      4.934662
  O      -5.473427      0.567259      5.127867
  Cl     -6.920207      2.616498      5.899100
  C      -5.301198     -1.817540      2.174252
  C      -7.065479     -4.833404      3.838475
  C      -8.357220     -5.383699      3.876128
  C      -9.311329     -4.718931      4.676864
  C      -9.009454     -3.584644      5.441896
  F      -9.964298     -3.093289      6.261228
  C      -7.722157     -3.008008      5.396499
  C      -7.158776     -1.833046      6.149728
  O      -7.877566     -0.829732      6.282024
  C      -5.748373     -1.774844      6.671191
  O      -4.679179     -2.695033      6.587977
  C      -5.427787     -0.657032      7.553552
  O      -6.130574      0.125378      8.119342
  Cl     -3.575326     -0.515198      7.860060
  C      -6.886628     -3.656386      4.533551
  C      -3.639416     -5.606524      6.468033
  C      -2.641434     -5.412538      7.447594
  C      -2.979799     -5.194133      8.777943
  C      -4.322952     -5.155740      9.132210
  F      -4.642136     -4.904745     10.422161
  C      -5.343295     -5.383974      8.200285
  C      -6.775397     -5.294898      8.525494
  O      -7.675930     -5.584232      7.746164
  C      -7.264170     -4.762565      9.884557
  O      -7.687959     -5.483642     10.755241
  C      -7.243107     -3.219648      9.999926
  O      -6.379876     -2.550682      9.512239
  Cl     -8.578179     -2.568453     10.965259
  C      -4.977088     -5.640309      6.869913
  H      -1.986544     -1.268740      1.587296
  H      -2.772026      1.090343      1.730417
  H      -6.050143     -2.609975      2.205061
  H      -8.637311     -6.297705      3.350014
  H     -10.320834     -5.123903      4.757965
  H      -5.882770     -3.279511      4.408613
  H      -1.590584     -5.412706      7.153978
  H      -2.219007     -5.025724      9.539823
  H      -5.768508     -5.856493      6.150745
  N      -4.511046     -2.767296      5.031788
  H      -4.881766     -1.822545      5.177792
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.119463076437
  N      -3.555409     -3.460364      2.125545
  C      -2.605959     -4.035278      1.186681
  C      -2.226808     -5.426872      1.680391
  N      -3.333806     -6.009593      2.486164
  C      -4.487910     -6.428832      1.630385
  C      -5.784732     -6.455145      2.440638
  N      -5.854443     -5.269982      3.279157
  Mo     -4.133520     -4.369253      3.825638
  N      -3.342039     -5.674231      5.103495
  C      -2.310378     -6.598490      4.633935
  C      -2.819433     -7.147865      3.307038
  H      -2.184527     -7.422171      5.354015
  H      -1.327864     -6.108511      4.518334
  H      -3.652753     -7.835699      3.498592
  H      -2.037990     -7.685702      2.746264
  H      -6.633422     -6.473874      1.735580
  H      -5.852066     -7.372884      3.056315
  H      -4.581118     -5.693771      0.821070
  H      -4.278199     -7.415265      1.184496
  H      -1.693596     -3.421939      1.095780
  H      -3.060377     -4.076013      0.179180
  H      -1.353054     -5.361984      2.344535
  H      -1.973655     -6.100503      0.844957
  C      -3.940929     -2.115793      1.974852
  C      -3.033491     -1.053144      1.778880
  C      -3.457505      0.269604      1.864835
  C      -4.780477      0.534307      2.197635
  F      -5.168667      1.823547      2.345622
  C      -5.721848     -0.484914      2.366292
  C      -7.106853     -0.272791      2.858457
  O      -8.009611     -1.066933      2.654905
  C      -7.431760      0.965940      3.742532
  O      -8.391633      1.657777      3.508788
  C      -6.466661      1.217721      4.923532
  O      -5.470638      0.569265      5.112658
  Cl     -6.914887      2.614136      5.898928
  C      -5.296105     -1.806691      2.170642
  C      -7.081458     -4.835295      3.838906
  C      -8.370936     -5.390832      3.877068
  C      -9.324718     -4.728425      4.681249
  C      -9.024996     -3.593827      5.447963
  F      -9.979668     -3.107943      6.271236
  C      -7.740823     -3.012140      5.398373
  C      -7.161150     -1.838875      6.148876
  O      -7.872629     -0.835222      6.299037
  C      -5.736611     -1.794484      6.650648
  O      -4.685779     -2.704450      6.551775
  C      -5.410812     -0.682407      7.541755
  O      -6.106978      0.097372      8.118780
  Cl     -3.554006     -0.546826      7.834981
  C      -6.908553     -3.656295      4.530929
  C      -3.636736     -5.599042      6.477139
  C      -2.639155     -5.404294      7.456343
  C      -2.978662     -5.190206      8.787402
  C      -4.321796     -5.157923      9.142129
  F      -4.641467     -4.912613     10.433283
  C      -5.341787     -5.386309      8.209690
  C      -6.774648     -5.304275      8.534261
  O      -7.673510     -5.596039      7.753927
  C      -7.265464     -4.779047      9.895398
  O      -7.684022     -5.504381     10.764983
  C      -7.251005     -3.236264     10.013514
  O      -6.393350     -2.564077      9.520587
  Cl     -8.581512     -2.591320     10.988508
  C      -4.974409     -5.635869      6.878608
  H      -1.979796     -1.261270      1.588987
  H      -2.764503      1.098773      1.722254
  H      -6.043849     -2.599958      2.210318
  H      -8.649724     -6.306548      3.353463
  H     -10.332604     -5.136956      4.765633
  H      -5.909588     -3.291781      4.402672
  H      -1.588281     -5.398775      7.162847
  H      -2.218459     -5.020724      9.549691
  H      -5.765174     -5.846840      6.157130
  N      -4.493065     -2.783979      5.008972
  H      -4.855067     -1.826305      5.097653
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.129262254929
  N      -3.551121     -3.450832      2.131466
  C      -2.603728     -4.031140      1.192531
  C      -2.227643     -5.424591      1.685134
  N      -3.336158     -6.007450      2.487713
  C      -4.491643     -6.424209      1.633596
  C      -5.788243     -6.450993      2.445556
  N      -5.863791     -5.265261      3.283841
  Mo     -4.135050     -4.363584      3.827101
  N      -3.342088     -5.663215      5.110222
  C      -2.313665     -6.591137      4.638355
  C      -2.824608     -7.143334      3.312973
  H      -2.187014     -7.414160      5.359117
  H      -1.330420     -6.102956      4.521183
  H      -3.660259     -7.827648      3.507283
  H      -2.044717     -7.687047      2.755420
  H      -6.636852     -6.474122      1.740416
  H      -5.852703     -7.368688      3.061747
  H      -4.585151     -5.688345      0.824934
  H      -4.284919     -7.410762      1.186155
  H      -1.689540     -3.420485      1.101737
  H      -3.058065     -4.069476      0.184907
  H      -1.355164     -5.361066      2.351159
  H      -1.971529     -6.096474      0.849016
  C      -3.933248     -2.105375      1.974240
  C      -3.024101     -1.044874      1.776799
  C      -3.446753      0.279059      1.856232
  C      -4.770772      0.546444      2.182257
  F      -5.158864      1.836610      2.323592
  C      -5.713748     -0.471196      2.352174
  C      -7.100408     -0.254475      2.837866
  O      -8.005338     -1.045211      2.631006
  C      -7.423271      0.983089      3.724379
  O      -8.379839      1.679718      3.490957
  C      -6.462024      1.223678      4.910903
  O      -5.468419      0.570551      5.097238
  Cl     -6.911423      2.611241      5.897881
  C      -5.288432     -1.794048      2.165902
  C      -7.096432     -4.837346      3.840325
  C      -8.383216     -5.399047      3.879954
  C      -9.337266     -4.740401      4.687856
  C      -9.041055     -3.605198      5.455873
  F      -9.996192     -3.125294      6.282420
  C      -7.760510     -3.016635      5.402306
  C      -7.169811     -1.842625      6.149335
  O      -7.877026     -0.839937      6.313315
  C      -5.734444     -1.809110      6.633245
  O      -4.699760     -2.714340      6.518301
  C      -5.403515     -0.703228      7.531729
  O      -6.093092      0.074969      8.118257
  Cl     -3.542312     -0.576707      7.814498
  C      -6.931081     -3.655799      4.530015
  C      -3.633582     -5.591121      6.485125
  C      -2.635857     -5.396006      7.463625
  C      -2.975351     -5.186580      8.795691
  C      -4.318243     -5.160588      9.151677
  F      -4.637534     -4.921477     10.444252
  C      -5.338483     -5.388813      8.219326
  C      -6.771738     -5.314407      8.544663
  O      -7.669607     -5.607867      7.763790
  C      -7.264022     -4.797497      9.908565
  O      -7.676324     -5.528240     10.776540
  C      -7.257076     -3.254895     10.031122
  O      -6.406672     -2.578099      9.532162
  Cl     -8.582024     -2.618628     11.019023
  C      -4.970963     -5.630857      6.887076
  H      -1.969798     -1.254975      1.592209
  H      -2.751920      1.106726      1.713668
  H      -6.035588     -2.587516      2.214200
  H      -8.659602     -6.316919      3.358988
  H     -10.343069     -5.153584      4.775442
  H      -5.934103     -3.300475      4.398107
  H      -1.585186     -5.384899      7.169471
  H      -2.215189     -5.016317      9.557895
  H      -5.761646     -5.836178      6.163830
  N      -4.478413     -2.797782      4.987401
  H      -4.832459     -1.828403      5.019450
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.137557845430
  N      -3.544515     -3.441282      2.137369
  C      -2.600685     -4.028351      1.197786
  C      -2.228837     -5.424188      1.688896
  N      -3.339230     -6.006619      2.488016
  C      -4.496507     -6.419154      1.635594
  C      -5.792354     -6.446064      2.449863
  N      -5.872581     -5.260051      3.288196
  Mo     -4.135847     -4.357746      3.827761
  N      -3.341360     -5.653039      5.115642
  C      -2.318125     -6.586353      4.641283
  C      -2.832260     -7.140681      3.317647
  H      -2.191645     -7.408641      5.362960
  H      -1.333495     -6.101493      4.521723
  H      -3.671266     -7.820018      3.515180
  H      -2.054964     -7.691720      2.763388
  H      -6.641354     -6.473101      1.745246
  H      -5.853763     -7.363840      3.066366
  H      -4.590060     -5.681858      0.828131
  H      -4.294037     -7.405687      1.185756
  H      -1.684004     -3.421483      1.106611
  H      -3.055770     -4.063699      0.190416
  H      -1.357495     -5.362946      2.356677
  H      -1.970431     -6.093865      0.851550
  C      -3.922676     -2.094737      1.974166
  C      -3.010949     -1.037119      1.775399
  C      -3.431846      0.288183      1.847497
  C      -4.757114      0.559133      2.165655
  F      -5.144607      1.850276      2.299698
  C      -5.702303     -0.456433      2.336670
  C      -7.091151     -0.235462      2.814493
  O      -7.997755     -1.023013      2.603037
  C      -7.413741      1.000705      3.702813
  O      -8.366539      1.702142      3.467894
  C      -6.458538      1.229646      4.896059
  O      -5.467629      0.571749      5.080927
  Cl     -6.910737      2.608390      5.894034
  C      -5.277638     -1.780307      2.160811
  C      -7.109495     -4.838831      3.842405
  C      -8.393139     -5.407664      3.884496
  C      -9.348152     -4.754096      4.695952
  C      -9.056876     -3.617690      5.464377
  F     -10.013177     -3.143876      6.293238
  C      -7.780462     -3.020590      5.407148
  C      -7.185139     -1.843171      6.149560
  O      -7.891316     -0.842437      6.322449
  C      -5.743428     -1.817025      6.619764
  O      -4.722585     -2.722907      6.490096
  C      -5.407394     -0.717647      7.524082
  O      -6.090540      0.060865      8.117300
  Cl     -3.542001     -0.603420      7.801435
  C      -6.952664     -3.654143      4.530190
  C      -3.629801     -5.583209      6.491741
  C      -2.631186     -5.388249      7.468983
  C      -2.969349     -5.183853      8.802376
  C      -4.311691     -5.164150      9.160654
  F      -4.629584     -4.931724     10.454873
  C      -5.332936     -5.391659      8.229096
  C      -6.766139     -5.325217      8.556791
  O      -7.663792     -5.619638      7.775988
  C      -7.258913     -4.818207      9.924342
  O      -7.663747     -5.555677     10.790073
  C      -7.260703     -3.275994     10.053380
  O      -6.419668     -2.592676      9.547670
  Cl     -8.578530     -2.651569     11.058255
  C      -4.966564     -5.625528      6.895191
  H      -1.956114     -1.249874      1.596749
  H      -2.734671      1.113911      1.705052
  H      -6.024616     -2.573523      2.217726
  H      -8.665961     -6.328192      3.366406
  H     -10.351379     -5.173021      4.786582
  H      -5.956574     -3.304509      4.394851
  H      -1.581010     -5.371748      7.173222
  H      -2.208558     -5.013207      9.563893
  H      -5.757880     -5.824587      6.170860
  N      -4.467814     -2.805829      4.969151
  H      -4.813518     -1.828572      4.946104
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.144714622016
  N      -3.535825     -3.432284      2.143219
  C      -2.597114     -4.027080      1.202286
  C      -2.230707     -5.425576      1.691675
  N      -3.343307     -6.007010      2.487223
  C      -4.502768     -6.413705      1.636493
  C      -5.797261     -6.440360      2.453581
  N      -5.880426     -5.254287      3.292186
  Mo     -4.135951     -4.352099      3.827498
  N      -3.339915     -5.643726      5.119502
  C      -2.323724     -6.584066      4.642624
  C      -2.842461     -7.139813      3.321100
  H      -2.198284     -7.405526      5.365440
  H      -1.337079     -6.104048      4.519829
  H      -3.685763     -7.812768      3.522264
  H      -2.068875     -7.699407      2.769969
  H      -6.647152     -6.470586      1.750114
  H      -5.855776     -7.358271      3.070247
  H      -4.596074     -5.674278      0.830843
  H      -4.305633     -7.399993      1.183374
  H      -1.677301     -3.425106      1.110060
  H      -3.053799     -4.058981      0.195567
  H      -1.360339     -5.367516      2.361038
  H      -1.970784     -6.092795      0.852694
  C      -3.909274     -2.084431      1.974414
  C      -2.994200     -1.030378      1.774354
  C      -3.413010      0.296371      1.838739
  C      -4.739540      0.571743      2.148322
  F      -5.125695      1.863960      2.274683
  C      -5.687575     -0.441224      2.320181
  C      -7.079216     -0.216373      2.788595
  O      -7.986701     -1.001205      2.571125
  C      -7.403532      1.018547      3.677567
  O      -8.351935      1.724810      3.438925
  C      -6.456802      1.235904      4.878892
  O      -5.469135      0.572946      5.064345
  Cl     -6.913368      2.605928      5.886660
  C      -5.263842     -1.766172      2.155461
  C      -7.120148     -4.839318      3.845272
  C      -8.400133     -5.416362      3.890951
  C      -9.356872     -4.769118      4.705520
  C      -9.071804     -3.630773      5.473213
  F     -10.029740     -3.163088      6.303718
  C      -7.800062     -3.023807      5.412480
  C      -7.206596     -1.840845      6.149709
  O      -7.914893     -0.843038      6.327339
  C      -5.762902     -1.818340      6.610813
  O      -4.754027     -2.728875      6.467649
  C      -5.421604     -0.725899      7.519797
  O      -6.098817      0.054551      8.117064
  Cl     -3.552577     -0.626405      7.796716
  C      -6.972247     -3.651135      4.531299
  C      -3.625183     -5.575320      6.496824
  C      -2.624924     -5.380921      7.472205
  C      -2.960626     -5.181803      8.807198
  C      -4.302136     -5.168263      9.168750
  F      -4.617732     -4.942822     10.464782
  C      -5.325076     -5.394517      8.238620
  C      -6.757889     -5.336319      8.569897
  O      -7.655843     -5.631161      7.789568
  C      -7.250430     -4.841192      9.941961
  O      -7.646749     -5.586871     10.804519
  C      -7.262820     -3.299707     10.079729
  O      -6.433380     -2.607466      9.567229
  Cl     -8.572267     -2.691040     11.105163
  C      -4.961011     -5.619841      6.902711
  H      -1.938946     -1.246323      1.602096
  H      -2.713102      1.119833      1.696567
  H      -6.011083     -2.558648      2.220863
  H      -8.668176     -6.340028      3.375984
  H     -10.356978     -5.194896      4.799127
  H      -5.977014     -3.303559      4.392925
  H      -1.575530     -5.359286      7.173966
  H      -2.198605     -5.011121      9.567476
  H      -5.753632     -5.812274      6.178021
  N      -4.461439     -2.806753      4.954941
  H      -4.797733     -1.826256      4.879959
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.151011278809
  N      -3.525581     -3.424193      2.149112
  C      -2.593344     -4.027166      1.206085
  C      -2.233438     -5.428328      1.693732
  N      -3.348559     -6.008188      2.485754
  C      -4.510431     -6.407886      1.636570
  C      -5.803030     -6.433956      2.456742
  N      -5.887148     -5.247932      3.295747
  Mo     -4.135666     -4.346790      3.826368
  N      -3.338004     -5.634916      5.121831
  C      -2.330317     -6.583622      4.642666
  C      -2.854942     -7.140226      3.323690
  H      -2.206598     -7.404117      5.366867
  H      -1.341155     -6.109753      4.515870
  H      -3.703250     -7.805657      3.528791
  H      -2.086091     -7.709206      2.775316
  H      -6.654240     -6.466547      1.754951
  H      -5.859105     -7.351975      3.073517
  H      -4.603199     -5.665677      0.833321
  H      -4.319246     -7.393635      1.179400
  H      -1.669904     -3.431024      1.112055
  H      -3.052406     -4.055356      0.200381
  H      -1.363912     -5.374193      2.364523
  H      -1.972760     -6.093149      0.852958
  C      -3.893588     -2.074857      1.974890
  C      -2.974554     -1.024902      1.773641
  C      -3.390978      0.303295      1.830372
  C      -4.718662      0.583745      2.130999
  F      -5.102664      1.877150      2.249775
  C      -5.670106     -0.426165      2.303162
  C      -7.065018     -0.197639      2.760743
  O      -7.972677     -0.980096      2.535887
  C      -7.392657      1.036655      3.648740
  O      -8.335671      1.748099      3.403882
  C      -6.456747      1.242805      4.859513
  O      -5.473323      0.574014      5.048116
  Cl     -6.918340      2.605037      5.874833
  C      -5.247660     -1.752319      2.149871
  C      -7.128455     -4.838599      3.848787
  C      -8.404203     -5.425010      3.899088
  C      -9.363521     -4.785135      4.716057
  C      -9.085713     -3.644045      5.481825
  F     -10.045521     -3.182507      6.313638
  C      -7.819186     -3.026367      5.417584
  C      -7.233122     -1.836693      6.149799
  O      -7.946156     -0.842777      6.329605
  C      -5.790903     -1.814888      6.605826
  O      -4.792992     -2.732392      6.449488
  C      -5.443828     -0.730075      7.518957
  O      -6.115731      0.053419      8.118302
  Cl     -3.572094     -0.647135      7.799219
  C      -6.989540     -3.646866      4.532924
  C      -3.619814     -5.567094      6.500478
  C      -2.617266     -5.373404      7.473423
  C      -2.949639     -5.179656      8.810209
  C      -4.290067     -5.172182      9.175869
  F      -4.602655     -4.953812     10.473820
  C      -5.315250     -5.396869      8.247722
  C      -6.747400     -5.347309      8.583514
  O      -7.646016     -5.642159      7.803936
  C      -7.239031     -4.866243      9.960912
  O      -7.625669     -5.621638     10.819324
  C      -7.263995     -3.325938     10.109697
  O      -6.448387     -2.622376      9.590579
  Cl     -8.563802     -2.736987     11.158744
  C      -4.954432     -5.613563      6.909592
  H      -1.918979     -1.244405      1.608114
  H      -2.688065      1.124306      1.688798
  H      -5.995619     -2.543574      2.223319
  H      -8.666215     -6.352255      3.387443
  H     -10.359961     -5.218812      4.812621
  H      -5.995500     -3.298063      4.391984
  H      -1.568895     -5.346890      7.172003
  H      -2.185913     -5.009114      9.568790
  H      -5.748919     -5.799460      6.185266
  N      -4.459056     -2.801137      4.944067
  H      -4.784392     -1.821487      4.821718
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.156637243156
  N      -3.514543     -3.416841      2.155240
  C      -2.589807     -4.028242      1.209223
  C      -2.236995     -5.432034      1.695177
  N      -3.354927     -6.009840      2.484042
  C      -4.519321     -6.402125      1.636024
  C      -5.809720     -6.427225      2.459336
  N      -5.892888     -5.241060      3.298910
  Mo     -4.135532     -4.341678      3.824790
  N      -3.335840     -5.626071      5.123175
  C      -2.337547     -6.584327      4.642076
  C      -2.869041     -7.141545      3.325974
  H      -2.216037     -7.403647      5.367955
  H      -1.345530     -6.117609      4.510671
  H      -3.722776     -7.798664      3.535243
  H      -2.105753     -7.720328      2.779887
  H      -6.662575     -6.461377      1.759613
  H      -5.864014     -7.345219      3.076324
  H      -4.611308     -5.656630      0.835636
  H      -4.334125     -7.387015      1.174256
  H      -1.662467     -3.438604      1.112479
  H      -3.052066     -4.052659      0.204923
  H      -1.368165     -5.382307      2.367200
  H      -1.976297     -6.094806      0.852680
  C      -3.876464     -2.065750      1.975286
  C      -2.952805     -1.020414      1.773167
  C      -3.366088      0.309318      1.822280
  C      -4.694716      0.595678      2.113364
  F      -5.075455      1.890535      2.224710
  C      -5.650376     -0.410485      2.284795
  C      -7.048850     -0.177419      2.729791
  O      -7.956591     -0.957083      2.496077
  C      -7.380186      1.056851      3.615740
  O      -8.315918      1.774950      3.362283
  C      -6.457877      1.250697      4.838063
  O      -5.480822      0.573942      5.032889
  Cl     -6.924345      2.606176      5.858932
  C      -5.230057     -1.738258      2.143175
  C      -7.135165     -4.836847      3.852775
  C      -8.405964     -5.433991      3.908469
  C      -9.368892     -4.802401      4.726903
  C      -9.099421     -3.657718      5.489660
  F     -10.061314     -3.202518      6.322606
  C      -7.838701     -3.028744      5.421849
  C      -7.264133     -1.832135      6.149830
  O      -7.983736     -0.843019      6.330947
  C      -5.825522     -1.809532      6.603732
  O      -4.838489     -2.734862      6.433653
  C      -5.471858     -0.733211      7.521181
  O      -6.139006      0.054017      8.121300
  Cl     -3.598671     -0.668327      7.807139
  C      -7.005324     -3.641668      4.534733
  C      -3.613745     -5.558129      6.503406
  C      -2.608341     -5.364954      7.473319
  C      -2.936639     -5.176587      8.812049
  C      -4.275728     -5.175302      9.182584
  F      -4.584644     -4.963924     10.482548
  C      -5.303628     -5.398509      8.257009
  C      -6.734844     -5.358266      8.598193
  O      -7.634502     -5.652803      7.819689
  C      -7.224694     -4.893422      9.981714
  O      -7.600067     -5.659957     10.835181
  C      -7.264482     -3.354809     10.143460
  O      -6.465343     -2.637687      9.617416
  Cl     -8.553151     -2.789378     11.218914
  C      -4.946894     -5.606659      6.916500
  H      -1.897007     -1.243997      1.614944
  H      -2.659706      1.127558      1.681824
  H      -5.979506     -2.527556      2.223707
  H      -8.660556     -6.365226      3.400291
  H     -10.361093     -5.245031      4.826357
  H      -6.012904     -3.289067      4.391771
  H      -1.561216     -5.333626      7.168095
  H      -2.170803     -5.006087      9.568494
  H      -5.743728     -5.786618      6.193293
  N      -4.460571     -2.791040      4.935451
  H      -4.773061     -1.814715      4.771338
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.164286476093
  N      -3.503107     -3.407899      2.160821
  C      -2.585333     -4.029573      1.209393
  C      -2.238748     -5.438217      1.691831
  N      -3.359868     -6.015025      2.479932
  C      -4.528817     -6.401651      1.632540
  C      -5.818184     -6.422956      2.460198
  N      -5.898781     -5.234057      3.302041
  Mo     -4.135706     -4.335024      3.824660
  N      -3.332612     -5.617858      5.125961
  C      -2.342655     -6.588608      4.642535
  C      -2.880452     -7.147103      3.327491
  H      -2.224203     -7.406639      5.370328
  H      -1.347518     -6.129635      4.507001
  H      -3.739499     -7.795969      3.540693
  H      -2.122590     -7.735491      2.783947
  H      -6.673051     -6.457868      1.762992
  H      -5.871914     -7.340321      3.078162
  H      -4.619889     -5.653536      0.834374
  H      -4.349926     -7.386046      1.167008
  H      -1.654049     -3.446805      1.109000
  H      -3.051979     -4.049494      0.207057
  H      -1.369791     -5.393298      2.364032
  H      -1.979262     -6.098598      0.846995
  C      -3.857929     -2.052823      1.972303
  C      -2.927878     -1.013444      1.770007
  C      -3.335335      0.318537      1.810684
  C      -4.664427      0.613512      2.090690
  F      -5.039192      1.910620      2.194245
  C      -5.626574     -0.386847      2.259317
  C      -7.028693     -0.146065      2.689188
  O      -7.937830     -0.920176      2.443103
  C      -7.362532      1.086755      3.575674
  O      -8.286825      1.815877      3.311819
  C      -6.460010      1.260739      4.815137
  O      -5.494457      0.570348      5.020746
  Cl     -6.930935      2.609209      5.841730
  C      -5.211068     -1.717232      2.129911
  C      -7.144078     -4.834745      3.857334
  C      -8.408894     -5.444655      3.918232
  C      -9.377391     -4.822923      4.736955
  C      -9.119083     -3.673924      5.496637
  F     -10.084398     -3.226841      6.330045
  C      -7.865348     -3.031812      5.426391
  C      -7.305693     -1.828410      6.152247
  O      -8.033929     -0.845512      6.334753
  C      -5.871472     -1.802656      6.606129
  O      -4.893705     -2.734803      6.421714
  C      -5.511796     -0.734572      7.527494
  O      -6.175553      0.055986      8.127558
  Cl     -3.638195     -0.685255      7.819070
  C      -7.025949     -3.635635      4.538021
  C      -3.605880     -5.550990      6.509796
  C      -2.596771     -5.358608      7.475914
  C      -2.919590     -5.176293      8.816973
  C      -4.256894     -5.181355      9.193683
  F      -4.560895     -4.977021     10.495914
  C      -5.288328     -5.403205      8.271715
  C      -6.718098     -5.372369      8.619704
  O      -7.619792     -5.665852      7.843119
  C      -7.204413     -4.923081     10.009394
  O      -7.567000     -5.700281     10.858696
  C      -7.259355     -3.386314     10.183146
  O      -6.479039     -2.655537      9.647832
  Cl     -8.535664     -2.844287     11.285255
  C      -4.937137     -5.602582      6.928516
  H      -1.872096     -1.242931      1.620646
  H      -2.623746      1.132606      1.672159
  H      -5.964299     -2.502515      2.215491
  H      -8.653911     -6.380255      3.413321
  H     -10.364477     -5.276345      4.838385
  H      -6.036425     -3.276757      4.394352
  H      -1.551243     -5.322186      7.165873
  H      -2.150905     -5.005948      9.570539
  H      -5.737193     -5.777199      6.207601
  N      -4.470494     -2.776096      4.930136
  H      -4.770123     -1.804045      4.729424
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.158044042396
  N      -3.495074     -3.389546      2.148857
  C      -2.561535     -4.030266      1.177675
  C      -2.207074     -5.462836      1.649906
  N      -3.339421     -6.053798      2.450327
  C      -4.528682     -6.447993      1.593183
  C      -5.833986     -6.455889      2.434208
  N      -5.912233     -5.241413      3.296857
  Mo     -4.136440     -4.326737      3.834248
  N      -3.320110     -5.629957      5.145045
  C      -2.313427     -6.626855      4.652224
  C      -2.852183     -7.194325      3.316872
  H      -2.199338     -7.444043      5.381066
  H      -1.317786     -6.169151      4.518917
  H      -3.712266     -7.841871      3.530210
  H      -2.092725     -7.784196      2.777985
  H      -6.689823     -6.487085      1.738815
  H      -5.891289     -7.370362      3.055264
  H      -4.619004     -5.700515      0.794204
  H      -4.353763     -7.433071      1.129048
  H      -1.630696     -3.447480      1.077716
  H      -3.032286     -4.046119      0.177728
  H      -1.336101     -5.417805      2.319495
  H      -1.948677     -6.118641      0.801818
  C      -3.852164     -2.016221      1.952013
  C      -2.915170     -0.981581      1.756877
  C      -3.311757      0.353630      1.797302
  C      -4.640038      0.658819      2.069417
  F      -5.005569      1.958673      2.174704
  C      -5.611011     -0.334228      2.226235
  C      -7.014709     -0.083724      2.644447
  O      -7.929678     -0.845369      2.381506
  C      -7.346687      1.142658      3.540404
  O      -8.256288      1.887648      3.269731
  C      -6.466875      1.287792      4.801748
  O      -5.518990      0.578175      5.025515
  Cl     -6.941853      2.631001      5.832930
  C      -5.206326     -1.667010      2.097091
  C      -7.171919     -4.834834      3.860543
  C      -8.434184     -5.449661      3.918904
  C      -9.408839     -4.832089      4.735358
  C      -9.162352     -3.680679      5.497280
  F     -10.135085     -3.241953      6.326361
  C      -7.913186     -3.028714      5.433638
  C      -7.360355     -1.821603      6.162271
  O      -8.093185     -0.843107      6.342984
  C      -5.924805     -1.788803      6.622522
  O      -4.942502     -2.716385      6.442631
  C      -5.572799     -0.716634      7.541697
  O      -6.243029      0.072510      8.136699
  Cl     -3.702242     -0.657697      7.838735
  C      -7.067260     -3.626577      4.549186
  C      -3.594892     -5.566080      6.544425
  C      -2.583076     -5.373968      7.507729
  C      -2.900466     -5.194004      8.850321
  C      -4.235998     -5.200233      9.232250
  F      -4.535092     -4.995939     10.535630
  C      -5.270538     -5.422864      8.314156
  C      -6.698684     -5.391196      8.667045
  O      -7.604264     -5.684909      7.894990
  C      -7.176335     -4.936375     10.057315
  O      -7.534483     -5.708296     10.913339
  C      -7.228139     -3.397668     10.219143
  O      -6.451448     -2.671859      9.671056
  Cl     -8.495071     -2.845372     11.326968
  C      -4.925305     -5.621619      6.969834
  H      -1.859759     -1.218085      1.615523
  H      -2.592416      1.161999      1.665828
  H      -5.969037     -2.444007      2.176185
  H      -8.673932     -6.386170      3.413167
  H     -10.393507     -5.291605      4.832749
  H      -6.082719     -3.261967      4.410502
  H      -1.538780     -5.335080      7.193854
  H      -2.128846     -5.023303      9.600774
  H      -5.729387     -5.796087      6.253279
  N      -4.504765     -2.755978      4.946983
  H      -4.811157     -1.781281      4.750271
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.162917083239
  N      -3.484117     -3.385685      2.155871
  C      -2.558934     -4.033001      1.183414
  C      -2.212529     -5.465935      1.656888
  N      -3.349144     -6.052984      2.451105
  C      -4.538682     -6.436672      1.593373
  C      -5.840594     -6.446785      2.436471
  N      -5.916311     -5.234435      3.299077
  Mo     -4.136568     -4.324507      3.830492
  N      -3.318506     -5.619962      5.144114
  C      -2.323873     -6.625923      4.650671
  C      -2.872564     -7.193606      3.320644
  H      -2.211741     -7.441271      5.381871
  H      -1.325373     -6.176364      4.510693
  H      -3.739301     -7.830288      3.539509
  H      -2.121161     -7.795216      2.783212
  H      -6.698251     -6.478835      1.743328
  H      -5.895647     -7.361785      3.056988
  H      -4.628024     -5.683081      0.799982
  H      -4.368744     -7.419049      1.121361
  H      -1.624486     -3.456500      1.080570
  H      -3.032390     -4.046503      0.184714
  H      -1.344086     -5.424269      2.329932
  H      -1.952046     -6.121232      0.808903
  C      -3.836138     -2.012494      1.955033
  C      -2.895871     -0.981031      1.760504
  C      -3.290808      0.354972      1.794945
  C      -4.620067      0.663876      2.057897
  F      -4.983683      1.964575      2.157364
  C      -5.593785     -0.326862      2.212803
  C      -7.000889     -0.073700      2.618343
  O      -7.914324     -0.834329      2.347589
  C      -7.338191      1.155540      3.507489
  O      -8.242932      1.903207      3.227843
  C      -6.469253      1.297255      4.775978
  O      -5.523888      0.585384      5.004443
  Cl     -6.953399      2.633600      5.810110
  C      -5.189999     -1.660691      2.093664
  C      -7.174397     -4.831351      3.864511
  C      -8.432087     -5.455338      3.930134
  C      -9.409403     -4.843432      4.746463
  C      -9.169197     -3.687122      5.502081
  F     -10.142650     -3.251024      6.331788
  C      -7.925121     -3.026724      5.432958
  C      -7.383757     -1.813179      6.155064
  O      -8.121399     -0.838103      6.336017
  C      -5.953038     -1.783945      6.615421
  O      -4.984536     -2.720273      6.421747
  C      -5.593047     -0.721957      7.540688
  O      -6.257958      0.072739      8.134839
  Cl     -3.723252     -0.687481      7.848201
  C      -7.075362     -3.619573      4.548308
  C      -3.589455     -5.552444      6.543657
  C      -2.575245     -5.358725      7.503965
  C      -2.889206     -5.182743      8.848026
  C      -4.223383     -5.196146      9.234351
  F      -4.519301     -4.998313     10.539443
  C      -5.260116     -5.418837      8.318672
  C      -6.687252     -5.399432      8.676774
  O      -7.593280     -5.693905      7.905576
  C      -7.162635     -4.970163     10.075838
  O      -7.506167     -5.758632     10.922656
  C      -7.235385     -3.434771     10.258592
  O      -6.479777     -2.689606      9.706954
  Cl     -8.486074     -2.917368     11.400890
  C      -4.918467     -5.610002      6.972347
  H      -1.840111     -1.219956      1.626464
  H      -2.569230      1.161715      1.665711
  H      -5.953327     -2.436511      2.178830
  H      -8.665385     -6.396106      3.429307
  H     -10.390192     -5.310210      4.847959
  H      -6.091057     -3.252100      4.407195
  H      -1.532168     -5.315074      7.186796
  H      -2.115941     -5.010762      9.596465
  H      -5.724461     -5.780901      6.257165
  N      -4.502364     -2.748399      4.937576
  H      -4.789387     -1.777121      4.707092
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.167792799180
  N      -3.475085     -3.381375      2.163588
  C      -2.563841     -4.036438      1.187810
  C      -2.223100     -5.467303      1.663743
  N      -3.360364     -6.049851      2.454786
  C      -4.548947     -6.426569      1.598888
  C      -5.846435     -6.438047      2.442764
  N      -5.920068     -5.227614      3.301584
  Mo     -4.137829     -4.322227      3.827454
  N      -3.316557     -5.607982      5.143989
  C      -2.334819     -6.621216      4.649836
  C      -2.892040     -7.188776      3.326133
  H      -2.224607     -7.434840      5.383236
  H      -1.333725     -6.179479      4.503603
  H      -3.764052     -7.816241      3.550319
  H      -2.147939     -7.800169      2.789377
  H      -6.705633     -6.471934      1.751605
  H      -5.899461     -7.352385      3.064371
  H      -4.638023     -5.668682      0.809565
  H      -4.382440     -7.407010      1.121372
  H      -1.626354     -3.466441      1.076722
  H      -3.044509     -4.049628      0.192570
  H      -1.355623     -5.427288      2.338071
  H      -1.962429     -6.123516      0.816423
  C      -3.821537     -2.009772      1.957573
  C      -2.877604     -0.982201      1.761801
  C      -3.269694      0.354859      1.788013
  C      -4.599432      0.668421      2.042237
  F      -4.960246      1.970379      2.133785
  C      -5.576375     -0.319071      2.197835
  C      -6.985524     -0.059926      2.592756
  O      -7.898801     -0.820084      2.320254
  C      -7.323364      1.170590      3.479720
  O      -8.219221      1.925885      3.192091
  C      -6.465969      1.302674      4.756713
  O      -5.525049      0.585854      4.988074
  Cl     -6.949280      2.638841      5.790595
  C      -5.174794     -1.654730      2.089622
  C      -7.176380     -4.827916      3.866717
  C      -8.429242     -5.461219      3.939138
  C      -9.410352     -4.853458      4.752782
  C      -9.177018     -3.691462      5.500627
  F     -10.151838     -3.256954      6.329619
  C      -7.937507     -3.023620      5.426450
  C      -7.406153     -1.805402      6.143453
  O      -8.147088     -0.832427      6.323978
  C      -5.981055     -1.783526      6.607636
  O      -5.027002     -2.730157      6.404382
  C      -5.614036     -0.733379      7.541746
  O      -6.273420      0.068120      8.133369
  Cl     -3.745930     -0.726413      7.864586
  C      -7.082864     -3.612274      4.543249
  C      -3.581903     -5.536194      6.542993
  C      -2.564588     -5.339418      7.499133
  C      -2.874084     -5.167201      8.844876
  C      -4.206610     -5.188892      9.236668
  F      -4.498295     -4.997211     10.543643
  C      -5.246154     -5.413247      8.324487
  C      -6.671796     -5.409465      8.689355
  O      -7.579043     -5.698705      7.917575
  C      -7.145021     -5.006963     10.097117
  O      -7.461667     -5.813502     10.937309
  C      -7.253620     -3.476171     10.299091
  O      -6.546897     -2.703873      9.720978
  Cl     -8.492812     -3.003904     11.473324
  C      -4.908950     -5.597362      6.976040
  H      -1.821822     -1.224535      1.634226
  H      -2.545496      1.159293      1.658778
  H      -5.939377     -2.428796      2.179876
  H      -8.655500     -6.406786      3.444060
  H     -10.387427     -5.327168      4.857955
  H      -6.097771     -3.243175      4.401361
  H      -1.523075     -5.290347      7.177620
  H      -2.098696     -4.992826      9.590577
  H      -5.717073     -5.767177      6.262996
  N      -4.499233     -2.745540      4.932005
  H      -4.763306     -1.775316      4.675058
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.171974377046
  N      -3.466563     -3.377715      2.171988
  C      -2.569181     -4.039514      1.192230
  C      -2.232060     -5.467860      1.670548
  N      -3.369615     -6.046854      2.458366
  C      -4.555735     -6.419124      1.602989
  C      -5.850149     -6.432249      2.445665
  N      -5.923304     -5.223242      3.300063
  Mo     -4.140757     -4.321109      3.824281
  N      -3.316739     -5.597314      5.143418
  C      -2.346048     -6.616818      4.650218
  C      -2.908607     -7.184014      3.331385
  H      -2.238557     -7.428935      5.385656
  H      -1.342523     -6.181952      4.500006
  H      -3.784950     -7.804096      3.558989
  H      -2.169925     -7.803260      2.796023
  H      -6.709829     -6.468452      1.755246
  H      -5.901854     -7.345618      3.068751
  H      -4.644467     -5.658007      0.816717
  H      -4.390583     -7.397883      1.121377
  H      -1.629530     -3.474978      1.072151
  H      -3.057755     -4.052818      0.200879
  H      -1.365637     -5.428302      2.346211
  H      -1.970486     -6.124805      0.823996
  C      -3.807987     -2.008001      1.961121
  C      -2.860323     -0.984264      1.765057
  C      -3.249487      0.353768      1.784337
  C      -4.579628      0.671500      2.031037
  F      -4.937528      1.974520      2.117390
  C      -5.559667     -0.313056      2.186369
  C      -6.969848     -0.048588      2.574119
  O      -7.884654     -0.805416      2.297696
  C      -7.306313      1.185261      3.456394
  O      -8.192895      1.948367      3.160607
  C      -6.458808      1.309212      4.740441
  O      -5.526474      0.583242      4.978236
  Cl     -6.946869      2.639374      5.778831
  C      -5.160634     -1.650166      2.086725
  C      -7.179023     -4.826938      3.862321
  C      -8.426995     -5.469594      3.938757
  C      -9.413676     -4.865929      4.747364
  C      -9.188740     -3.698386      5.487974
  F     -10.166675     -3.265372      6.314108
  C      -7.953733     -3.023266      5.411605
  C      -7.432963     -1.801833      6.127098
  O      -8.175748     -0.829795      6.305532
  C      -6.013340     -1.789506      6.597707
  O      -5.074738     -2.745145      6.385518
  C      -5.641600     -0.752592      7.543444
  O      -6.296539      0.054086      8.133334
  Cl     -3.777478     -0.776108      7.887203
  C      -7.092028     -3.607459      4.531653
  C      -3.577495     -5.520291      6.541487
  C      -2.557465     -5.320294      7.493744
  C      -2.863375     -5.148285      8.840401
  C      -4.194647     -5.174065      9.236228
  F      -4.483247     -4.981345     10.543752
  C      -5.236469     -5.400862      8.327157
  C      -6.660783     -5.405078      8.696760
  O      -7.569825     -5.689551      7.925333
  C      -7.128853     -5.030722     10.113701
  O      -7.427832     -5.854528     10.943524
  C      -7.270442     -3.505072     10.333469
  O      -6.574253     -2.712393      9.770032
  Cl     -8.434195     -3.080384     11.599354
  C      -4.902941     -5.582755      6.977638
  H      -1.804587     -1.229882      1.643732
  H      -2.522763      1.156027      1.655864
  H      -5.926636     -2.422433      2.180324
  H      -8.645028     -6.419813      3.448958
  H     -10.387245     -5.346387      4.854065
  H      -6.106141     -3.237239      4.391531
  H      -1.517278     -5.267683      7.168634
  H      -2.086360     -4.970450      9.583550
  H      -5.712855     -5.751660      6.266454
  N      -4.500893     -2.748096      4.927868
  H      -4.740022     -1.777617      4.651015
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.176017081611
  N      -3.458832     -3.374513      2.180219
  C      -2.577142     -4.043733      1.195683
  C      -2.242904     -5.469001      1.676801
  N      -3.380171     -6.044188      2.462414
  C      -4.564087     -6.412946      1.608342
  C      -5.854970     -6.427081      2.450374
  N      -5.927194     -5.218856      3.299232
  Mo     -4.144211     -4.320394      3.821385
  N      -3.316407     -5.586475      5.143223
  C      -2.357077     -6.612020      4.650595
  C      -2.925545     -7.179144      3.337171
  H      -2.251955     -7.422477      5.388221
  H      -1.351165     -6.184163      4.495802
  H      -3.805799     -7.792149      3.568754
  H      -2.192460     -7.805975      2.802774
  H      -6.715449     -6.465872      1.761058
  H      -5.905343     -7.339127      3.075539
  H      -4.652926     -5.649194      0.824568
  H      -4.400108     -7.390324      1.123294
  H      -1.635599     -3.484827      1.064488
  H      -3.075282     -4.057864      0.209102
  H      -1.377104     -5.429312      2.353266
  H      -1.980862     -6.127184      0.831233
  C      -3.795060     -2.006881      1.964208
  C      -2.843237     -0.987495      1.767291
  C      -3.228719      0.351734      1.780494
  C      -4.558956      0.674106      2.021085
  F      -4.913231      1.978332      2.103411
  C      -5.542486     -0.307068      2.176398
  C      -6.953148     -0.037109      2.558574
  O      -7.870249     -0.789697      2.278304
  C      -7.287875      1.201610      3.433979
  O      -8.165937      1.971243      3.129722
  C      -6.449935      1.319165      4.724669
  O      -5.524388      0.586364      4.967627
  Cl     -6.942057      2.645547      5.765434
  C      -5.146732     -1.645617      2.084537
  C      -7.182159     -4.824940      3.858226
  C      -8.425358     -5.476423      3.939166
  C      -9.417486     -4.875673      4.742066
  C      -9.200593     -3.701978      5.474261
  F     -10.181718     -3.269134      6.296717
  C      -7.969814     -3.020176      5.395102
  C      -7.458689     -1.795812      6.109143
  O      -8.202079     -0.823384      6.283554
  C      -6.044914     -1.793921      6.586989
  O      -5.122148     -2.760249      6.367847
  C      -5.667906     -0.770043      7.543642
  O      -6.317535      0.043196      8.130744
  Cl     -3.808684     -0.827165      7.910643
  C      -7.101248     -3.601081      4.519068
  C      -3.571178     -5.503387      6.540513
  C      -2.547422     -5.299473      7.487665
  C      -2.848113     -5.127332      8.835568
  C      -4.177609     -5.157951      9.237097
  F      -4.461559     -4.963726     10.545439
  C      -5.222739     -5.388036      8.332584
  C      -6.645051     -5.400973      8.709081
  O      -7.557355     -5.678591      7.938947
  C      -7.106196     -5.063143     10.137103
  O      -7.374602     -5.908701     10.955381
  C      -7.277324     -3.545025     10.386550
  O      -6.640197     -2.724695      9.793531
  Cl     -8.414236     -3.167287     11.691448
  C      -4.894475     -5.567567      6.981500
  H      -1.787776     -1.236991      1.651540
  H      -2.499156      1.151504      1.652553
  H      -5.914455     -2.415733      2.181756
  H      -8.635370     -6.431636      3.455593
  H     -10.387739     -5.362349      4.850666
  H      -6.113962     -3.230337      4.380870
  H      -1.508986     -5.243227      7.157645
  H      -2.068648     -4.945432      9.575146
  H      -5.706904     -5.736545      6.273226
  N      -4.501475     -2.751652      4.924752
  H      -4.713411     -1.780210      4.631114
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.179539375203
  N      -3.451166     -3.371458      2.189390
  C      -2.585250     -4.047500      1.199544
  C      -2.253149     -5.469645      1.682824
  N      -3.390232     -6.041567      2.466226
  C      -4.571959     -6.407738      1.613291
  C      -5.859600     -6.422745      2.454879
  N      -5.930993     -5.214772      3.298066
  Mo     -4.147895     -4.320358      3.819425
  N      -3.315719     -5.577046      5.143129
  C      -2.366914     -6.607876      4.650800
  C      -2.940954     -7.174554      3.342361
  H      -2.264061     -7.416985      5.390270
  H      -1.358771     -6.186594      4.491863
  H      -3.824520     -7.781375      3.577566
  H      -2.213018     -7.807935      2.808474
  H      -6.720871     -6.464068      1.766651
  H      -5.908816     -7.333418      3.082188
  H      -4.661199     -5.641798      0.831616
  H      -4.408522     -7.383858      1.125302
  H      -1.642338     -3.493766      1.056522
  H      -3.093665     -4.062524      0.218205
  H      -1.388064     -5.429618      2.360216
  H      -1.990354     -6.128777      0.838091
  C      -3.783117     -2.005895      1.968006
  C      -2.827494     -0.990228      1.771137
  C      -3.209266      0.350161      1.778347
  C      -4.539624      0.677116      2.011666
  F      -4.890457      1.982596      2.088636
  C      -5.526772     -0.300602      2.165569
  C      -6.938827     -0.024298      2.538345
  O      -7.855947     -0.777132      2.258875
  C      -7.273070      1.213116      3.415861
  O      -8.142131      1.990823      3.106465
  C      -6.448199      1.317482      4.716025
  O      -5.522572      0.584489      4.957653
  Cl     -6.934417      2.648343      5.753578
  C      -5.134085     -1.640928      2.081962
  C      -7.185511     -4.822209      3.853026
  C      -8.424300     -5.481701      3.937789
  C      -9.421985     -4.883117      4.734323
  C      -9.212800     -3.703407      5.458110
  F     -10.197385     -3.270011      6.276145
  C      -7.985830     -3.015682      5.376775
  C      -7.483304     -1.789616      6.091394
  O      -8.226213     -0.816111      6.262385
  C      -6.075346     -1.799670      6.577615
  O      -5.169250     -2.777714      6.352537
  C      -5.692751     -0.789193      7.545275
  O      -6.335998      0.032470      8.127908
  Cl     -3.839012     -0.880120      7.934394
  C      -7.110245     -3.593889      4.505074
  C      -3.564486     -5.487571      6.539784
  C      -2.536937     -5.279168      7.481598
  C      -2.832213     -5.106369      8.830697
  C      -4.159860     -5.141790      9.238132
  F      -4.438773     -4.946096     10.547376
  C      -5.208361     -5.376393      8.338631
  C      -6.628530     -5.398549      8.722314
  O      -7.545142     -5.659897      7.951444
  C      -7.082787     -5.090034     10.158861
  O      -7.329400     -5.952965     10.965717
  C      -7.291129     -3.579843     10.427399
  O      -6.704460     -2.735934      9.815844
  Cl     -8.382386     -3.247058     11.782902
  C      -4.885528     -5.554069      6.985965
  H      -1.772215     -1.243319      1.661563
  H      -2.476814      1.147455      1.651339
  H      -5.903854     -2.408779      2.180937
  H      -8.626468     -6.441862      3.460671
  H     -10.389290     -5.375320      4.844355
  H      -6.121075     -3.223215      4.369628
  H      -1.500335     -5.219357      7.146482
  H      -2.050228     -4.920093      9.566521
  H      -5.700447     -5.724490      6.280921
  N      -4.501572     -2.757776      4.923876
  H      -4.684641     -1.784466      4.618976
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.182700907072
  N      -3.444122     -3.369545      2.198325
  C      -2.593772     -4.051895      1.202774
  C      -2.262579     -5.470773      1.688295
  N      -3.399370     -6.039844      2.469871
  C      -4.578673     -6.404982      1.617846
  C      -5.863631     -6.420497      2.458686
  N      -5.934750     -5.211848      3.295606
  Mo     -4.152357     -4.320892      3.817634
  N      -3.315394     -5.568468      5.142689
  C      -2.375848     -6.604066      4.651464
  C      -2.954484     -7.170700      3.347576
  H      -2.275291     -7.411716      5.392869
  H      -1.365701     -6.188726      4.489070
  H      -3.840744     -7.772276      3.586029
  H      -2.230898     -7.809755      2.814403
  H      -6.725408     -6.464861      1.771271
  H      -5.911852     -7.329360      3.088693
  H      -4.668557     -5.637765      0.837428
  H      -4.414979     -7.380216      1.128012
  H      -1.650182     -3.502679      1.047230
  H      -3.113007     -4.068199      0.227129
  H      -1.398244     -5.429667      2.366589
  H      -1.998696     -6.130829      0.844515
  C      -3.772732     -2.006122      1.971766
  C      -2.813401     -0.994352      1.774097
  C      -3.191607      0.347107      1.776074
  C      -4.521771      0.678145      2.005087
  F      -4.869139      1.984676      2.079756
  C      -5.511883     -0.296515      2.159681
  C      -6.923230     -0.015007      2.530746
  O      -7.843305     -0.764219      2.251317
  C      -7.253749      1.228274      3.400809
  O      -8.113363      2.013068      3.083056
  C      -6.429800      1.333323      4.701623
  O      -5.518432      0.586213      4.953569
  Cl     -6.931505      2.649010      5.750829
  C      -5.122670     -1.638102      2.081813
  C      -7.189427     -4.819964      3.845156
  C      -8.423834     -5.487342      3.932898
  C      -9.427790     -4.890671      4.721809
  C      -9.226823     -3.704875      5.437002
  F     -10.215501     -3.270721      6.249692
  C      -8.003602     -3.011412      5.354538
  C      -7.509788     -1.784460      6.071717
  O      -8.251638     -0.809547      6.238850
  C      -6.107400     -1.806959      6.567099
  O      -5.218788     -2.795978      6.336189
  C      -5.720110     -0.809835      7.546118
  O      -6.357355      0.018989      8.125432
  Cl     -3.873577     -0.936224      7.959427
  C      -7.120126     -3.586879      4.487949
  C      -3.558570     -5.471709      6.538637
  C      -2.527446     -5.257921      7.475078
  C      -2.817668     -5.082564      8.824992
  C      -4.143605     -5.121351      9.237873
  F      -4.417978     -4.921429     10.547484
  C      -5.195188     -5.361302      8.343396
  C      -6.613221     -5.389136      8.733599
  O      -7.533804     -5.643149      7.964942
  C      -7.059382     -5.114163     10.179026
  O      -7.272635     -5.995193     10.975727
  C      -7.301421     -3.613305     10.470958
  O      -6.773930     -2.746609      9.837662
  Cl     -8.338185     -3.325137     11.878648
  C      -4.877429     -5.540001      6.989685
  H      -1.758503     -1.251018      1.669127
  H      -2.456629      1.142090      1.649239
  H      -5.894216     -2.403752      2.183760
  H      -8.617639     -6.452576      3.462617
  H     -10.392252     -5.388221      4.832558
  H      -6.129178     -3.216432      4.356181
  H      -1.492627     -5.195160      7.135093
  H      -2.033404     -4.891062      9.557012
  H      -5.694642     -5.712703      6.287926
  N      -4.503561     -2.765854      4.923232
  H      -4.656870     -1.790266      4.611153
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.185626719400
  N      -3.436764     -3.368041      2.207794
  C      -2.602067     -4.056179      1.206199
  C      -2.271771     -5.472045      1.693209
  N      -3.408358     -6.038449      2.473029
  C      -4.585540     -6.402555      1.622033
  C      -5.867871     -6.418232      2.462474
  N      -5.938420     -5.208686      3.293247
  Mo     -4.156567     -4.321968      3.816559
  N      -3.314507     -5.561485      5.142006
  C      -2.384073     -6.601567      4.651406
  C      -2.967469     -7.167599      3.351819
  H      -2.285830     -7.408064      5.394421
  H      -1.371961     -6.192125      4.485690
  H      -3.856224     -7.764211      3.593379
  H      -2.248237     -7.811864      2.818875
  H      -6.730265     -6.465328      1.776003
  H      -5.915267     -7.325304      3.095116
  H      -4.676117     -5.634195      0.842750
  H      -4.421691     -7.376992      1.130504
  H      -1.658047     -3.511407      1.037969
  H      -3.132435     -4.073385      0.236561
  H      -1.408168     -5.430192      2.372403
  H      -2.006944     -6.132732      0.850105
  C      -3.762423     -2.006665      1.976507
  C      -2.799441     -0.998568      1.778866
  C      -3.174089      0.343944      1.776792
  C      -4.504143      0.678753      2.001316
  F      -4.848309      1.986294      2.073651
  C      -5.497294     -0.293018      2.154904
  C      -6.908744     -0.006864      2.521437
  O      -7.831333     -0.751192      2.237284
  C      -7.237438      1.240477      3.385734
  O      -8.089793      2.030309      3.061157
  C      -6.432144      1.332450      4.699347
  O      -5.517664      0.589212      4.950509
  Cl     -6.924398      2.660035      5.737837
  C      -5.111382     -1.635733      2.082178
  C      -7.193246     -4.816590      3.837180
  C      -8.423617     -5.491102      3.927787
  C      -9.433542     -4.895943      4.709066
  C      -9.240123     -3.704389      5.415825
  F     -10.232667     -3.269173      6.223229
  C      -8.020349     -3.005758      5.332258
  C      -7.534542     -1.778840      6.053410
  O      -8.274976     -0.802587      6.218039
  C      -6.137551     -1.814399      6.557975
  O      -5.267033     -2.814592      6.321157
  C      -5.745104     -0.830680      7.548083
  O      -6.375663      0.005413      8.124443
  Cl     -3.906632     -0.993581      7.985042
  C      -7.129334     -3.578779      4.470663
  C      -3.551884     -5.457269      6.537311
  C      -2.516897     -5.238167      7.468018
  C      -2.801622     -5.059755      8.818739
  C      -4.125767     -5.101108      9.237394
  F      -4.395198     -4.895738     10.547233
  C      -5.180690     -5.346388      8.348337
  C      -6.596480     -5.378336      8.745174
  O      -7.521564     -5.622857      7.978730
  C      -7.034260     -5.135000     10.198309
  O      -7.219847     -6.032519     10.983389
  C      -7.313238     -3.644562     10.510168
  O      -6.844539     -2.757550      9.858921
  Cl     -8.297233     -3.398207     11.963248
  C      -4.868408     -5.526901      6.993616
  H      -1.744903     -1.258679      1.678655
  H      -2.436604      1.136749      1.650885
  H      -5.884799     -2.399248      2.185691
  H      -8.609455     -6.461254      3.464469
  H     -10.395421     -5.398295      4.820495
  H      -6.136293     -3.208817      4.342775
  H      -1.483961     -5.172972      7.122840
  H      -2.014854     -4.863047      9.546660
  H      -5.688105     -5.701960      6.295433
  N      -4.504194     -2.775056      4.923807
  H      -4.627089     -1.796753      4.608185
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.188345746515
  N      -3.429695     -3.366467      2.218452
  C      -2.610139     -4.059585      1.210800
  C      -2.280501     -5.472554      1.698630
  N      -3.416999     -6.036726      2.476424
  C      -4.592061     -6.400068      1.626319
  C      -5.871961     -6.416020      2.466440
  N      -5.942212     -5.205401      3.291191
  Mo     -4.161169     -4.323123      3.816757
  N      -3.313659     -5.555424      5.141684
  C      -2.391687     -6.599353      4.651436
  C      -2.979611     -7.164447      3.355873
  H      -2.295614     -7.404966      5.395754
  H      -1.377776     -6.195366      4.482715
  H      -3.870556     -7.756595      3.600286
  H      -2.264473     -7.813294      2.822818
  H      -6.734926     -6.465850      1.780866
  H      -5.918498     -7.321325      3.101655
  H      -4.683444     -5.630688      0.848069
  H      -4.427813     -7.373732      1.133231
  H      -1.666036     -3.518883      1.030096
  H      -3.151581     -4.077466      0.247296
  H      -1.417817     -5.430061      2.378964
  H      -2.014472     -6.133524      0.856008
  C      -3.753085     -2.007065      1.982140
  C      -2.786810     -1.002133      1.784732
  C      -3.157813      0.341410      1.777272
  C      -4.487768      0.680293      1.995461
  F      -4.828767      1.988961      2.063224
  C      -5.484102     -0.288313      2.147763
  C      -6.896289      0.004203      2.506210
  O      -7.818566     -0.743074      2.228900
  C      -7.223866      1.250446      3.372905
  O      -8.066216      2.048740      3.043285
  C      -6.423175      1.336841      4.690054
  O      -5.516105      0.586236      4.945505
  Cl     -6.922834      2.656395      5.735256
  C      -5.101322     -1.632756      2.082192
  C      -7.197415     -4.812666      3.828945
  C      -8.423870     -5.494058      3.922142
  C      -9.439931     -4.900296      4.695390
  C      -9.254054     -3.703091      5.393712
  F     -10.250592     -3.266708      6.195570
  C      -8.037643     -2.999467      5.309279
  C      -7.559753     -1.773252      6.035505
  O      -8.298297     -0.795314      6.197776
  C      -6.168234     -1.822038      6.549684
  O      -5.316126     -2.833069      6.307435
  C      -5.770796     -0.850959      7.550007
  O      -6.393990     -0.005923      8.121350
  Cl     -3.940390     -1.047484      8.007676
  C      -7.138857     -3.570100      4.452855
  C      -3.545297     -5.444078      6.536424
  C      -2.506326     -5.219769      7.461248
  C      -2.785176     -5.039074      8.812920
  C      -4.107338     -5.083573      9.237802
  F      -4.371403     -4.873618     10.548039
  C      -5.165748     -5.334190      8.354473
  C      -6.579056     -5.371268      8.758613
  O      -7.509748     -5.597691      7.993229
  C      -7.008454     -5.154346     10.217991
  O      -7.172397     -6.065516     10.992011
  C      -7.321006     -3.674089     10.545832
  O      -6.909396     -2.771748      9.877340
  Cl     -8.254531     -3.461414     12.037386
  C      -4.859349     -5.515616      6.998445
  H      -1.732567     -1.265531      1.689966
  H      -2.417701      1.131884      1.652055
  H      -5.876912     -2.393905      2.186435
  H      -8.601648     -6.469122      3.466008
  H     -10.399326     -5.407274      4.807265
  H      -6.143640     -3.200538      4.329258
  H      -1.475382     -5.152026      7.110654
  H      -1.995729     -4.837491      9.536592
  H      -5.681638     -5.693454      6.304118
  N      -4.504839     -2.784987      4.925823
  H      -4.596902     -1.804270      4.609794
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.190912400089
  N      -3.422189     -3.365842      2.229643
  C      -2.617315     -4.063180      1.215752
  C      -2.288078     -5.473517      1.703926
  N      -3.424772     -6.035759      2.479371
  C      -4.597377     -6.398577      1.629504
  C      -5.875527     -6.414583      2.468622
  N      -5.945951     -5.202646      3.287471
  Mo     -4.166302     -4.325018      3.817371
  N      -3.313653     -5.551253      5.140975
  C      -2.399437     -6.598726      4.651446
  C      -2.990933     -7.162456      3.359198
  H      -2.305984     -7.403707      5.396830
  H      -1.383732     -6.199915      4.480652
  H      -3.883932     -7.750599      3.605686
  H      -2.279351     -7.815308      2.826133
  H      -6.738628     -6.467050      1.783434
  H      -5.921665     -7.318052      3.106413
  H      -4.689235     -5.628429      0.852017
  H      -4.432419     -7.371586      1.135232
  H      -1.673466     -3.526212      1.022833
  H      -3.169736     -4.081437      0.258501
  H      -1.426537     -5.430467      2.385665
  H      -2.020584     -6.134433      0.861628
  C      -3.743754     -2.008376      1.989332
  C      -2.774108     -1.006772      1.792459
  C      -3.141878      0.337682      1.781177
  C      -4.471784      0.679686      1.995279
  F      -4.810064      1.989192      2.061695
  C      -5.470664     -0.286502      2.146629
  C      -6.882396      0.010002      2.502276
  O      -7.807768     -0.731994      2.221056
  C      -7.207946      1.263453      3.358478
  O      -8.041513      2.066685      3.018916
  C      -6.421056      1.344780      4.684650
  O      -5.518997      0.590890      4.946864
  Cl     -6.924652      2.665915      5.725883
  C      -5.091010     -1.631806      2.085193
  C      -7.202015     -4.808836      3.817770
  C      -8.424586     -5.497108      3.912548
  C      -9.447483     -4.904964      4.676765
  C      -9.269698     -3.702251      5.366829
  F     -10.270802     -3.264948      6.162492
  C      -8.056737     -2.993512      5.282502
  C      -7.587521     -1.768605      6.015558
  O      -8.324651     -0.789745      6.176445
  C      -6.201299     -1.830714      6.540324
  O      -5.367993     -2.851478      6.292672
  C      -5.800012     -0.871604      7.551002
  O      -6.416717     -0.019038      8.118242
  Cl     -3.979350     -1.102267      8.031273
  C      -7.149280     -3.561373      4.431925
  C      -3.539862     -5.432648      6.535028
  C      -2.496690     -5.203851      7.453834
  C      -2.769416     -5.019853      8.806296
  C      -4.089661     -5.065087      9.237288
  F      -4.348291     -4.849320     10.547701
  C      -5.151761     -5.319874      8.359771
  C      -6.562520     -5.357579      8.771181
  O      -7.498772     -5.572932      8.009299
  C      -6.982000     -5.169167     10.236903
  O      -7.116605     -6.093511     11.000867
  C      -7.320597     -3.699264     10.584869
  O      -6.967004     -2.783883      9.901044
  Cl     -8.189884     -3.517188     12.118966
  C      -4.851467     -5.504505      7.002740
  H      -1.720242     -1.273330      1.702224
  H      -2.399567      1.126243      1.656997
  H      -5.868339     -2.390962      2.190406
  H      -8.593743     -6.477033      3.463642
  H     -10.404431     -5.416577      4.788282
  H      -6.151971     -3.192072      4.313588
  H      -1.467704     -5.134985      7.097802
  H      -1.977087     -4.814081      9.525598
  H      -5.676542     -5.684631      6.312422
  N      -4.506684     -2.796310      4.928000
  H      -4.567500     -1.813104      4.614426
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.193386433997
  N      -3.414886     -3.365358      2.241599
  C      -2.625004     -4.066169      1.220964
  C      -2.296062     -5.474141      1.708452
  N      -3.432652     -6.034677      2.481881
  C      -4.603310     -6.396685      1.632730
  C      -5.879423     -6.412697      2.471505
  N      -5.949599     -5.199565      3.284852
  Mo     -4.171179     -4.327208      3.819150
  N      -3.312522     -5.548541      5.139899
  C      -2.406094     -6.599146      4.650187
  C      -3.001748     -7.160831      3.361239
  H      -2.314958     -7.403873      5.396197
  H      -1.388723     -6.205346      4.477110
  H      -3.896557     -7.745242      3.609958
  H      -2.293929     -7.817236      2.827367
  H      -6.742987     -6.467470      1.787099
  H      -5.924964     -7.314465      3.111667
  H      -4.695926     -5.625715      0.856103
  H      -4.438006     -7.369031      1.137127
  H      -1.681699     -3.532769      1.015660
  H      -3.188824     -4.084336      0.270365
  H      -1.435386     -5.430988      2.391274
  H      -2.027597     -6.134625      0.866019
  C      -3.735013     -2.009657      1.997431
  C      -2.762207     -1.011013      1.801309
  C      -3.126435      0.334387      1.785255
  C      -4.456280      0.679921      1.993407
  F      -4.791738      1.990431      2.056137
  C      -5.458056     -0.283478      2.142927
  C      -6.870247      0.018706      2.491000
  O      -7.796161     -0.724208      2.213939
  C      -7.194939      1.273528      3.345574
  O      -8.018591      2.083910      2.999274
  C      -6.419613      1.347346      4.679513
  O      -5.522803      0.589298      4.946686
  Cl     -6.928582      2.666048      5.721334
  C      -5.081490     -1.630235      2.087606
  C      -7.206271     -4.804341      3.808072
  C      -8.424999     -5.499313      3.904953
  C      -9.454358     -4.908958      4.660583
  C      -9.284124     -3.701062      5.342576
  F     -10.289260     -3.263050      6.132778
  C      -8.074638     -2.987321      5.257830
  C      -7.613860     -1.764649      5.999025
  O      -8.349462     -0.785070      6.160069
  C      -6.232419     -1.840037      6.533644
  O      -5.418053     -2.869713      6.280119
  C      -5.826721     -0.891935      7.553508
  O      -6.436396     -0.031521      8.116368
  Cl     -4.015897     -1.155187      8.053670
  C      -7.158903     -3.552095      4.412350
  C      -3.532568     -5.422978      6.533355
  C      -2.484456     -5.190486      7.445447
  C      -2.750039     -5.002841      8.798802
  C      -4.068148     -5.047327      9.236700
  F      -4.320242     -4.824997     10.547323
  C      -5.134692     -5.305371      8.365665
  C      -6.542903     -5.341258      8.784612
  O      -7.485154     -5.542669      8.026142
  C      -6.952481     -5.178798     10.255772
  O      -7.070930     -6.116027     11.006580
  C      -7.326007     -3.720961     10.618591
  O      -7.028121     -2.793965      9.923908
  Cl     -8.153415     -3.569529     12.179297
  C      -4.841430     -5.494152      7.007590
  H      -1.708695     -1.280733      1.716271
  H      -2.381691      1.120809      1.662060
  H      -5.860958     -2.387114      2.192559
  H      -8.585721     -6.483979      3.463384
  H     -10.408852     -5.425110      4.772093
  H      -6.159497     -3.182712      4.298896
  H      -1.457622     -5.121411      7.083303
  H      -1.954206     -4.793560      9.513201
  H      -5.669817     -5.676234      6.321836
  N      -4.506729     -2.808298      4.931478
  H      -4.536947     -1.822778      4.623504
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.195795041659
  N      -3.407505     -3.364879      2.254798
  C      -2.632172     -4.068428      1.227471
  C      -2.303220     -5.474149      1.713894
  N      -3.439861     -6.033424      2.484809
  C      -4.608074     -6.394825      1.635699
  C      -5.882775     -6.410919      2.473307
  N      -5.953433     -5.196594      3.281251
  Mo     -4.176955     -4.329540      3.821848
  N      -3.312460     -5.546646      5.139301
  C      -2.412937     -6.599723      4.649624
  C      -3.011792     -7.159171      3.363461
  H      -2.324296     -7.404416      5.396037
  H      -1.394000     -6.210401      4.475054
  H      -3.908200     -7.740409      3.613785
  H      -2.307160     -7.818535      2.828857
  H      -6.746335     -6.468017      1.789115
  H      -5.928036     -7.310989      3.115781
  H      -4.701096     -5.623162      0.859772
  H      -4.442013     -7.366544      1.138986
  H      -1.689730     -3.538188      1.010179
  H      -3.207119     -4.086356      0.283537
  H      -1.443662     -5.430872      2.398109
  H      -2.033398     -6.133898      0.871222
  C      -3.726332     -2.010831      2.007360
  C      -2.750167     -1.015237      1.812722
  C      -3.110836      0.331088      1.792162
  C      -4.440771      0.679857      1.994123
  F      -4.773555      1.991291      2.054026
  C      -5.445369     -0.280973      2.141121
  C      -6.857730      0.026248      2.482442
  O      -7.785509     -0.714188      2.204811
  C      -7.181501      1.285901      3.329713
  O      -7.993310      2.103536      2.973002
  C      -6.420522      1.353625      4.672743
  O      -5.530706      0.590518      4.947465
  Cl     -6.933228      2.673881      5.710920
  C      -5.071937     -1.628897      2.091299
  C      -7.211113     -4.800007      3.796442
  C      -8.425818     -5.502024      3.894786
  C      -9.462263     -4.913992      4.641205
  C      -9.300299     -3.700974      5.315259
  F     -10.309959     -3.262735      6.099581
  C      -8.094601     -2.981749      5.230613
  C      -7.643282     -1.761480      5.981034
  O      -8.378145     -0.782022      6.142904
  C      -6.266534     -1.849358      6.526297
  O      -5.470741     -2.886746      6.267534
  C      -5.857131     -0.910525      7.554333
  O      -6.459770     -0.041245      8.110956
  Cl     -4.056111     -1.203107      8.072560
  C      -7.169809     -3.542894      4.390604
  C      -3.527158     -5.415049      6.531987
  C      -2.474733     -5.179254      7.438186
  C      -2.733906     -4.988964      8.792420
  C      -4.050028     -5.033424      9.236648
  F      -4.296246     -4.806574     10.547669
  C      -5.120448     -5.294445      8.371491
  C      -6.526210     -5.330025      8.797619
  O      -7.474398     -5.512638      8.041696
  C      -6.927921     -5.189213     10.273003
  O      -7.016253     -6.135209     11.016931
  C      -7.320029     -3.740743     10.653550
  O      -7.073892     -2.806459      9.948763
  Cl     -8.082459     -3.610022     12.249209
  C      -4.833481     -5.486252      7.012294
  H      -1.697025     -1.288183      1.733236
  H      -2.363676      1.115466      1.670579
  H      -5.853529     -2.383569      2.195381
  H      -8.577409     -6.491409      3.460609
  H     -10.414162     -5.434991      4.752180
  H      -6.168570     -3.172784      4.282598
  H      -1.449874     -5.109741      7.070584
  H      -1.934947     -4.776826      9.502467
  H      -5.664740     -5.670742      6.330728
  N      -4.508036     -2.820584      4.935086
  H      -4.508460     -1.833106      4.634881
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.198158441472
  N      -3.400960     -3.365123      2.267296
  C      -2.641466     -4.071107      1.232267
  C      -2.311859     -5.474756      1.716894
  N      -3.447613     -6.032801      2.486709
  C      -4.614344     -6.393610      1.638876
  C      -5.886859     -6.409530      2.476596
  N      -5.957104     -5.193937      3.279267
  Mo     -4.182215     -4.332324      3.824869
  N      -3.310134     -5.545748      5.137413
  C      -2.417953     -6.601298      4.646858
  C      -3.021310     -7.158357      3.363963
  H      -2.331088     -7.405990      5.393540
  H      -1.397667     -6.216407      4.469812
  H      -3.918959     -7.736580      3.616757
  H      -2.320365     -7.820484      2.827769
  H      -6.751105     -6.468861      1.793510
  H      -5.931253     -7.307828      3.121494
  H      -4.708530     -5.621442      0.863565
  H      -4.448154     -7.364830      1.141103
  H      -1.700373     -3.543914      1.001951
  H      -3.228646     -4.088565      0.295867
  H      -1.452548     -5.431456      2.401408
  H      -2.041826     -6.133653      0.873533
  C      -3.718427     -2.012589      2.017074
  C      -2.738712     -1.020400      1.823111
  C      -3.095226      0.326956      1.797788
  C      -4.424962      0.679475      1.994189
  F      -4.754523      1.991973      2.051115
  C      -5.432632     -0.278385      2.139461
  C      -6.844649      0.034727      2.475100
  O      -7.774827     -0.703155      2.198463
  C      -7.165856      1.298538      3.316702
  O      -7.966685      2.123282      2.951950
  C      -6.419618      1.357925      4.668992
  O      -5.538053      0.588339      4.951143
  Cl     -6.938946      2.675867      5.707024
  C      -5.062952     -1.627670      2.095236
  C      -7.215256     -4.795937      3.787547
  C      -8.425646     -5.505230      3.888755
  C      -9.468471     -4.920092      4.627077
  C      -9.314180     -3.702198      5.293155
  F     -10.327356     -3.264292      6.073174
  C      -8.112634     -2.977210      5.207236
  C      -7.670643     -1.760235      5.967938
  O      -8.405170     -0.781753      6.133268
  C      -6.297656     -1.860610      6.522152
  O      -5.520347     -2.903913      6.256366
  C      -5.883921     -0.930582      7.557846
  O      -6.479763     -0.054123      8.110262
  Cl     -4.093479     -1.252927      8.093001
  C      -7.179524     -3.534040      4.371371
  C      -3.517884     -5.407574      6.529378
  C      -2.459877     -5.169213      7.428270
  C      -2.711170     -4.974072      8.783252
  C      -4.025071     -5.014889      9.234759
  F      -4.263861     -4.780306     10.545812
  C      -5.100528     -5.277700      8.376504
  C      -6.503891     -5.306961      8.809605
  O      -7.457379     -5.479868      8.057890
  C      -6.896672     -5.190560     10.288985
  O      -6.973386     -6.148586     11.018698
  C      -7.330690     -3.757093     10.681132
  O      -7.136605     -2.813860      9.971871
  Cl     -8.070707     -3.657421     12.289888
  C      -4.821228     -5.476080      7.016660
  H      -1.686141     -1.297009      1.748543
  H      -2.345436      1.108953      1.677105
  H      -5.846959     -2.379760      2.198698
  H      -8.568234     -6.499231      3.462163
  H     -10.417473     -5.446186      4.738589
  H      -6.176746     -3.162513      4.267645
  H      -1.437274     -5.101248      7.054165
  H      -1.908175     -4.759494      9.487985
  H      -5.656181     -5.662049      6.340071
  N      -4.507293     -2.833847      4.938988
  H      -4.479567     -1.844434      4.649241
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.200532654869
  N      -3.394241     -3.364499      2.281820
  C      -2.649663     -4.072253      1.239620
  C      -2.319525     -5.473956      1.722106
  N      -3.454958     -6.031286      2.489554
  C      -4.619299     -6.391487      1.641767
  C      -5.890506     -6.407593      2.478297
  N      -5.961457     -5.190900      3.275861
  Mo     -4.189063     -4.334792      3.828896
  N      -3.310066     -5.544919      5.136697
  C      -2.424277     -6.602270      4.645601
  C      -3.030834     -7.156764      3.365341
  H      -2.339526     -7.407184      5.392350
  H      -1.402686     -6.221284      4.467076
  H      -3.929697     -7.732392      3.619705
  H      -2.332907     -7.821197      2.827890
  H      -6.754732     -6.469171      1.795433
  H      -5.934506     -7.304221      3.125427
  H      -4.713975     -5.618714      0.867096
  H      -4.452339     -7.362107      1.142941
  H      -1.710026     -3.547764      0.997346
  H      -3.248181     -4.088982      0.310387
  H      -1.461099     -5.430717      2.407727
  H      -2.048417     -6.131633      0.878045
  C      -3.709786     -2.013272      2.028847
  C      -2.725994     -1.024603      1.837415
  C      -3.077709      0.323881      1.806387
  C      -4.407470      0.680640      1.993990
  F      -4.733513      1.994341      2.046352
  C      -5.418857     -0.273832      2.135166
  C      -6.831324      0.046276      2.460354
  O      -7.762986     -0.690344      2.185084
  C      -7.151353      1.312379      3.298653
  O      -7.937799      2.146678      2.924780
  C      -6.422110      1.361230      4.661154
  O      -5.549774      0.584326      4.950760
  Cl     -6.943506      2.680644      5.696594
  C      -5.053261     -1.624779      2.098147
  C      -7.220629     -4.791812      3.775993
  C      -8.426402     -5.508943      3.879074
  C      -9.476511     -4.927485      4.608486
  C      -9.331069     -3.704734      5.266726
  F     -10.348557     -3.267830      6.041752
  C      -8.134102     -2.973257      5.180348
  C      -7.703012     -1.759681      5.952367
  O      -8.438076     -0.782875      6.121086
  C      -6.334126     -1.871495      6.516754
  O      -5.574416     -2.919700      6.245020
  C      -5.916943     -0.948355      7.558994
  O      -6.506145     -0.063463      8.104710
  Cl     -4.136691     -1.296334      8.109734
  C      -7.191550     -3.525126      4.349287
  C      -3.512023     -5.401615      6.527812
  C      -2.449282     -5.161262      7.420563
  C      -2.693560     -4.963423      8.776431
  C      -4.005307     -5.002734      9.234674
  F      -4.237408     -4.763829     10.546174
  C      -5.085107     -5.267019      8.382572
  C      -6.485964     -5.293374      8.822984
  O      -7.445240     -5.449835      8.074910
  C      -6.871265     -5.196416     10.305557
  O      -6.919627     -6.161484     11.028446
  C      -7.321884     -3.772946     10.715378
  O      -7.173468     -2.824508     10.002482
  Cl     -8.005177     -3.691866     12.350531
  C      -4.812680     -5.468997      7.021632
  H      -1.673977     -1.305217      1.769882
  H      -2.324761      1.103185      1.687969
  H      -5.840237     -2.373951      2.198972
  H      -8.559002     -6.507497      3.459967
  H     -10.422382     -5.459196      4.719773
  H      -6.187436     -3.151208      4.250631
  H      -1.428728     -5.094031      7.040765
  H      -1.887011     -4.747196      9.476592
  H      -5.650766     -5.656882      6.349516
  N      -4.508810     -2.846912      4.943025
  H      -4.454118     -1.856040      4.665472
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.202948746250
  N      -3.388299     -3.364219      2.296282
  C      -2.659622     -4.073441      1.246159
  C      -2.328365     -5.473347      1.725942
  N      -3.462804     -6.030122      2.491988
  C      -4.625326     -6.389848      1.645015
  C      -5.894790     -6.406008      2.481104
  N      -5.966069     -5.188077      3.273567
  Mo     -4.196107     -4.337474      3.833424
  N      -3.308824     -5.544540      5.135478
  C      -2.429484     -6.603528      4.643151
  C      -3.040032     -7.155554      3.365903
  H      -2.346151     -7.408641      5.389896
  H      -1.406846     -6.226168      4.462425
  H      -3.939780     -7.728799      3.622480
  H      -2.345371     -7.822106      2.826680
  H      -6.759382     -6.469906      1.798990
  H      -5.937982     -7.300840      3.130635
  H      -4.721012     -5.616644      0.870887
  H      -4.457920     -7.359962      1.145228
  H      -1.721906     -3.551453      0.991273
  H      -3.270192     -4.089249      0.324762
  H      -1.470210     -5.430161      2.411894
  H      -2.056930     -6.129660      0.880842
  C      -3.701467     -2.014088      2.041320
  C      -2.713099     -1.029586      1.852150
  C      -3.059462      0.320130      1.815553
  C      -4.389094      0.681441      1.995118
  F      -4.711169      1.996401      2.043705
  C      -5.404367     -0.269418      2.132777
  C      -6.816578      0.057589      2.449763
  O      -7.751425     -0.674164      2.171970
  C      -7.134042      1.329516      3.279343
  O      -7.905752      2.172382      2.894345
  C      -6.424228      1.369070      4.652919
  O      -5.564105      0.582947      4.952975
  Cl     -6.951360      2.688702      5.685508
  C      -5.043525     -1.621853      2.102359
  C      -7.226027     -4.788048      3.766133
  C      -8.426670     -5.513609      3.872043
  C      -9.483843     -4.936595      4.593183
  C      -9.347394     -3.708952      5.243272
  F     -10.368753     -3.273656      6.014208
  C      -8.155626     -2.970267      5.155335
  C      -7.735992     -1.760363      5.939161
  O      -8.472530     -0.786381      6.112927
  C      -6.370395     -1.882834      6.512667
  O      -5.627698     -2.934320      6.234406
  C      -5.949648     -0.964697      7.560151
  O      -6.532429     -0.071361      8.098617
  Cl     -4.177193     -1.331615      8.120483
  C      -7.203757     -3.516501      4.328444
  C      -3.503754     -5.396504      6.525814
  C      -2.435405     -5.154922      7.411487
  C      -2.671430     -4.954392      8.768387
  C      -3.980632     -4.991467      9.234379
  F      -4.204774     -4.747872     10.546404
  C      -5.065543     -5.256652      8.389236
  C      -6.463579     -5.278760      8.837645
  O      -7.428866     -5.419505      8.094006
  C      -6.840390     -5.199010     10.323029
  O      -6.875729     -6.172167     11.035805
  C      -7.318820     -3.787942     10.744226
  O      -7.213159     -2.835329     10.029577
  Cl     -7.973684     -3.728143     12.392409
  C      -4.801259     -5.462321      7.027112
  H      -1.661866     -1.314754      1.791232
  H      -2.303172      1.096492      1.699171
  H      -5.833631     -2.367854      2.200954
  H      -8.548903     -6.516666      3.460640
  H     -10.426146     -5.474433      4.705022
  H      -6.198763     -3.139265      4.233991
  H      -1.417223     -5.088953      7.025157
  H      -1.860674     -4.736986      9.463308
  H      -5.643054     -5.651788      6.360149
  N      -4.509684     -2.860436      4.946852
  H      -4.429702     -1.868356      4.682878
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.205421651821
  N      -3.382023     -3.363530      2.312078
  C      -2.668630     -4.073706      1.254286
  C      -2.336765     -5.472252      1.730679
  N      -3.470659     -6.028735      2.494536
  C      -4.631010     -6.387569      1.647632
  C      -5.899240     -6.403817      2.482612
  N      -5.971209     -5.184829      3.270371
  Mo     -4.204053     -4.340182      3.838490
  N      -3.309035     -5.544756      5.134753
  C      -2.435891     -6.605320      4.641200
  C      -3.049785     -7.154474      3.366431
  H      -2.354342     -7.410851      5.387740
  H      -1.412148     -6.231513      4.458863
  H      -3.950573     -7.725368      3.624587
  H      -2.358145     -7.823003      2.825603
  H      -6.763833     -6.469710      1.800771
  H      -5.942077     -7.297002      3.134286
  H      -4.727159     -5.613744      0.874176
  H      -4.463069     -7.357095      1.146752
  H      -1.732771     -3.554108      0.987879
  H      -3.290458     -4.087940      0.340400
  H      -1.479189     -5.429628      2.417375
  H      -2.064754     -6.126797      0.884313
  C      -3.692010     -2.014191      2.055179
  C      -2.698637     -1.033912      1.870032
  C      -3.038921      0.317122      1.826868
  C      -4.368469      0.683655      1.995224
  F      -4.686065      2.000034      2.038119
  C      -5.388291     -0.263034      2.127256
  C      -6.801095      0.072264      2.430768
  O      -7.737430     -0.657851      2.153318
  C      -7.117834      1.346086      3.257428
  O      -7.873553      2.198990      2.863124
  C      -6.430437      1.372426      4.643170
  O      -5.582032      0.577533      4.952561
  Cl     -6.962937      2.691835      5.673725
  C      -5.032646     -1.617401      2.105130
  C      -7.232214     -4.783936      3.754684
  C      -8.427509     -5.518223      3.862810
  C      -9.492217     -4.946296      4.575256
  C      -9.365407     -3.713925      5.217349
  F     -10.391021     -3.280770      5.983963
  C      -8.179110     -2.967644      5.128417
  C      -7.772136     -1.761981      5.925140
  O      -8.510802     -0.791434      6.104308
  C      -6.409950     -1.894685      6.508285
  O      -5.683346     -2.948317      6.223728
  C      -5.986140     -0.980310      7.560252
  O      -6.564323     -0.081125      8.093483
  Cl     -4.222311     -1.365685      8.131387
  C      -7.217291     -3.507714      4.306036
  C      -3.497179     -5.392619      6.524348
  C      -2.423159     -5.150978      7.403123
  C      -2.650825     -4.947819      8.761035
  C      -3.957482     -4.981508      9.234620
  F      -4.173639     -4.733407     10.547163
  C      -5.047634     -5.246167      8.396256
  C      -6.442757     -5.261817      8.852718
  O      -7.413663     -5.393369      8.114613
  C      -6.810742     -5.200709     10.340835
  O      -6.825155     -6.180914     11.044772
  C      -7.305173     -3.800289     10.779242
  O      -7.239531     -2.843443     10.065781
  Cl     -7.917176     -3.759654     12.444994
  C      -4.791617     -5.455815      7.033019
  H      -1.648238     -1.323946      1.817758
  H      -2.278749      1.090153      1.713719
  H      -5.826464     -2.359821      2.199583
  H      -8.538802     -6.525558      3.458858
  H     -10.430786     -5.490555      4.687177
  H      -6.211604     -3.126249      4.216128
  H      -1.407292     -5.087094      7.010384
  H      -1.835734     -4.730168      9.450803
  H      -5.637246     -5.645830      6.371123
  N      -4.511622     -2.874404      4.950804
  H      -4.407648     -1.881461      4.702040
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.207946709762
  N      -3.376098     -3.362953      2.328134
  C      -2.678146     -4.073654      1.262397
  C      -2.345425     -5.471098      1.734885
  N      -3.478530     -6.027608      2.496885
  C      -4.636944     -6.385627      1.650272
  C      -5.903911     -6.401873      2.484350
  N      -5.976593     -5.181725      3.267492
  Mo     -4.212296     -4.343120      3.843866
  N      -3.309036     -5.545299      5.134112
  C      -2.441826     -6.607225      4.638951
  C      -3.059138     -7.153620      3.366678
  H      -2.361672     -7.413194      5.385211
  H      -1.417156     -6.236617      4.454823
  H      -3.960772     -7.722392      3.626561
  H      -2.370451     -7.823935      2.824129
  H      -6.768569     -6.469767      1.802880
  H      -5.946325     -7.293361      3.138215
  H      -4.733680     -5.611258      0.877426
  H      -4.468580     -7.354619      1.148368
  H      -1.744414     -3.556159      0.984617
  H      -3.311215     -4.086053      0.356208
  H      -1.488161     -5.429162      2.421997
  H      -2.073143     -6.123637      0.886985
  C      -3.682703     -2.014181      2.070099
  C      -2.684240     -1.038287      1.889264
  C      -3.018552      0.314030      1.840229
  C      -4.348022      0.685479      1.998190
  F      -4.661263      2.003159      2.036585
  C      -5.372141     -0.257293      2.124755
  C      -6.785128      0.085169      2.416813
  O      -7.724056     -0.639914      2.134523
  C      -7.101151      1.364510      3.234297
  O      -7.839161      2.226702      2.826901
  C      -6.437732      1.381302      4.632216
  O      -5.603309      0.576873      4.953886
  Cl     -6.976839      2.702386      5.657681
  C      -5.021694     -1.613192      2.109776
  C      -7.238696     -4.780008      3.743532
  C      -8.428286     -5.523377      3.854189
  C      -9.500614     -4.956924      4.557926
  C      -9.383875     -3.719634      5.191540
  F     -10.413857     -3.288820      5.953771
  C      -8.203442     -2.965283      5.101206
  C      -7.809777     -1.763593      5.910522
  O      -8.551048     -0.796860      6.094613
  C      -6.450810     -1.905799      6.503266
  O      -5.739436     -2.960618      6.212808
  C      -6.023926     -0.993440      7.558513
  O      -6.596897     -0.086670      8.084093
  Cl     -4.265471     -1.390161      8.134145
  C      -7.231495     -3.499057      4.283537
  C      -3.489833     -5.389843      6.523107
  C      -2.409769     -5.148808      7.394623
  C      -2.628320     -4.944260      8.753815
  C      -3.932055     -4.975669      9.235759
  F      -4.139485     -4.724816     10.549214
  C      -5.027817     -5.239522      8.404626
  C      -6.419624     -5.251656      8.870387
  O      -7.397119     -5.364983      8.137802
  C      -6.778241     -5.203005     10.360944
  O      -6.781147     -6.189099     11.056837
  C      -7.289223     -3.812211     10.811041
  O      -7.258702     -2.853625     10.098008
  Cl     -7.869353     -3.786270     12.489114
  C      -4.780916     -5.450982      7.039838
  H      -1.634779     -1.333215      1.845347
  H      -2.254663      1.083877      1.730527
  H      -5.818998     -2.352188      2.200480
  H      -8.528255     -6.534906      3.457871
  H     -10.435184     -5.507896      4.670191
  H      -6.225568     -3.112475      4.197788
  H      -1.396462     -5.086689      6.995027
  H      -1.808555     -4.726951      9.438144
  H      -5.630705     -5.641356      6.383438
  N      -4.513602     -2.888592      4.954310
  H      -4.386790     -1.895264      4.721156
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.210502874669
  N      -3.369669     -3.362639      2.344738
  C      -2.686767     -4.073452      1.271158
  C      -2.353753     -5.470304      1.739041
  N      -3.486367     -6.026947      2.498799
  C      -4.642786     -6.383686      1.652073
  C      -5.908812     -6.399628      2.484882
  N      -5.982130     -5.178440      3.263800
  Mo     -4.220805     -4.346531      3.849199
  N      -3.309863     -5.546829      5.133369
  C      -2.448681     -6.610389      4.636700
  C      -3.068977     -7.153573      3.366429
  H      -2.370423     -7.416950      5.382554
  H      -1.422946     -6.243176      4.451268
  H      -3.971667     -7.720121      3.627515
  H      -2.383131     -7.825667      2.822325
  H      -6.773339     -6.469050      1.803508
  H      -5.951300     -7.289529      3.140727
  H      -4.739614     -5.608673      0.879886
  H      -4.474192     -7.352156      1.149115
  H      -1.755058     -3.558017      0.982912
  H      -3.330461     -4.083330      0.372432
  H      -1.496877     -5.429680      2.426698
  H      -2.081313     -6.120486      0.889318
  C      -3.672380     -2.014158      2.085762
  C      -2.668721     -1.042544      1.910424
  C      -2.996649      0.311067      1.855102
  C      -4.325931      0.687840      2.000916
  F      -4.634402      2.006889      2.033694
  C      -5.354663     -0.250677      2.120793
  C      -6.768275      0.099718      2.398257
  O      -7.708335     -0.623342      2.114079
  C      -7.085095      1.380932      3.212154
  O      -7.806388      2.252450      2.794770
  C      -6.448346      1.384708      4.622824
  O      -5.626524      0.571961      4.955374
  Cl     -6.996436      2.704963      5.645223
  C      -5.009679     -1.608416      2.113701
  C      -7.245451     -4.775683      3.731067
  C      -8.429267     -5.528123      3.843805
  C      -9.509450     -4.967460      4.538446
  C      -9.403061     -3.725437      5.163658
  F     -10.437649     -3.297178      5.921269
  C      -8.228553     -2.962997      5.072488
  C      -7.848978     -1.765970      5.895399
  O      -8.593051     -0.803242      6.084495
  C      -6.493479     -1.918018      6.498289
  O      -5.796459     -2.973005      6.201448
  C      -6.063671     -1.007730      7.556972
  O      -6.632844     -0.095974      8.077594
  Cl     -4.313480     -1.420364      8.141793
  C      -7.246120     -3.490286      4.259847
  C      -3.483213     -5.387683      6.521805
  C      -2.396735     -5.148384      7.385786
  C      -2.605848     -4.940574      8.745966
  C      -3.906713     -4.966480      9.236078
  F      -4.105159     -4.710972     10.550072
  C      -5.008485     -5.227990      8.412267
  C      -6.396964     -5.232560      8.887035
  O      -7.380222     -5.338059      8.160924
  C      -6.745829     -5.201121     10.379988
  O      -6.732459     -6.193977     11.066262
  C      -7.268787     -3.820335     10.847381
  O      -7.273617     -2.858567     10.138262
  Cl     -7.810356     -3.812000     12.539155
  C      -4.771035     -5.443754      7.046433
  H      -1.620285     -1.342453      1.875981
  H      -2.228773      1.077515      1.749579
  H      -5.810762     -2.343753      2.199462
  H      -8.517670     -6.543565      3.454881
  H     -10.439994     -5.525160      4.650658
  H      -6.240185     -3.097695      4.178429
  H      -1.385951     -5.089990      6.979280
  H      -1.781095     -4.724357      9.424644
  H      -5.625385     -5.632761      6.395602
  N      -4.515789     -2.903700      4.957742
  H      -4.367290     -1.910161      4.741951
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.213105641924
  N      -3.363454     -3.362528      2.361763
  C      -2.696065     -4.072888      1.279960
  C      -2.362429     -5.469277      1.742660
  N      -3.494154     -6.026304      2.500692
  C      -4.648913     -6.381902      1.654324
  C      -5.913850     -6.397308      2.486257
  N      -5.987644     -5.174987      3.260958
  Mo     -4.229336     -4.350063      3.855024
  N      -3.310043     -5.548549      5.132658
  C      -2.454673     -6.613419      4.634161
  C      -3.078111     -7.153419      3.366004
  H      -2.377976     -7.420625      5.379504
  H      -1.428040     -6.249251      4.447274
  H      -3.981580     -7.718065      3.628541
  H      -2.395058     -7.827024      2.820112
  H      -6.778419     -6.468220      1.805216
  H      -5.956310     -7.285535      3.144177
  H      -4.746033     -5.606416      0.882649
  H      -4.480295     -7.349969      1.150482
  H      -1.766740     -3.559174      0.981100
  H      -3.350639     -4.080053      0.389080
  H      -1.505555     -5.430135      2.430389
  H      -2.090315     -6.116848      0.890790
  C      -3.662421     -2.014085      2.102673
  C      -2.653670     -1.046736      1.933046
  C      -2.975490      0.308086      1.872058
  C      -4.304641      0.689749      2.006184
  F      -4.608639      2.010019      2.033946
  C      -5.337643     -0.244872      2.119347
  C      -6.751732      0.112327      2.383046
  O      -7.693327     -0.606674      2.093161
  C      -7.069754      1.397981      3.188533
  O      -7.771307      2.279003      2.757491
  C      -6.459981      1.392326      4.611169
  O      -5.652716      0.570597      4.956537
  Cl     -7.014651      2.715685      5.626732
  C      -4.997880     -1.604086      2.119490
  C      -7.252113     -4.771143      3.719767
  C      -8.429793     -5.532944      3.835147
  C      -9.517782     -4.978372      4.520812
  C      -9.422031     -3.731383      5.137049
  F     -10.461273     -3.305728      5.889965
  C      -8.253849     -2.960447      5.044464
  C      -7.888907     -1.767624      5.880642
  O      -8.636139     -0.809116      6.073901
  C      -6.536344     -1.928301      6.493407
  O      -5.852583     -2.982845      6.190662
  C      -6.103160     -1.017789      7.553691
  O      -6.667710     -0.098922      8.066416
  Cl     -4.357546     -1.438887      8.141233
  C      -7.260849     -3.481332      4.236960
  C      -3.475814     -5.386600      6.520598
  C      -2.383096     -5.149364      7.377235
  C      -2.582859     -4.939729      8.738575
  C      -3.880715     -4.961879      9.236951
  F      -4.070254     -4.703820     10.551816
  C      -4.988307     -5.221262      8.420387
  C      -6.373289     -5.222094      8.904799
  O      -7.362786     -5.312818      8.185068
  C      -6.712411     -5.201638     10.399888
  O      -6.686895     -6.199290     11.078961
  C      -7.248785     -3.829947     10.878971
  O      -7.287676     -2.868067     10.171473
  Cl     -7.756010     -3.833457     12.582097
  C      -4.760333     -5.438896      7.053193
  H      -1.606329     -1.351499      1.907825
  H      -2.203885      1.071363      1.770894
  H      -5.802433     -2.336021      2.200464
  H      -8.506343     -6.552194      3.453834
  H     -10.444055     -5.543008      4.633365
  H      -6.255577     -3.081606      4.159150
  H      -1.374902     -5.093928      6.963924
  H      -1.753253     -4.724904      9.411776
  H      -5.619167     -5.626596      6.407933
  N      -4.517327     -2.918316      4.960641
  H      -4.348810     -1.924821      4.762588
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.215735197585
  N      -3.356758     -3.362845      2.379432
  C      -2.705075     -4.072280      1.289199
  C      -2.371175     -5.468628      1.745965
  N      -3.502034     -6.025986      2.502373
  C      -4.655342     -6.380098      1.656403
  C      -5.919228     -6.394450      2.487529
  N      -5.993052     -5.171001      3.258266
  Mo     -4.237848     -4.353855      3.861155
  N      -3.310222     -5.550998      5.131694
  C      -2.460834     -6.617390      4.631385
  C      -3.087453     -7.153841      3.365163
  H      -2.386022     -7.425357      5.376115
  H      -1.433211     -6.256463      4.443246
  H      -3.991766     -7.716536      3.629041
  H      -2.407282     -7.828931      2.817379
  H      -6.783884     -6.466389      1.806857
  H      -5.961998     -7.281017      3.147449
  H      -4.752488     -5.604203      0.885148
  H      -4.487098     -7.347884      1.151801
  H      -1.778194     -3.560216      0.980062
  H      -3.370412     -4.076122      0.406291
  H      -1.514104     -5.431605      2.433540
  H      -2.099899     -6.113297      0.891594
  C      -3.651683     -2.014141      2.120517
  C      -2.637710     -1.051101      1.957434
  C      -2.953009      0.304911      1.890165
  C      -4.281891      0.691835      2.010939
  F      -4.580952      2.013369      2.032487
  C      -5.319409     -0.238590      2.116626
  C      -6.734174      0.125993      2.364228
  O      -7.676345     -0.590965      2.070561
  C      -7.054328      1.414354      3.163892
  O      -7.738617      2.303505      2.721620
  C      -6.474730      1.397269      4.598902
  O      -5.681316      0.567503      4.956847
  Cl     -7.040572      2.720576      5.609238
  C      -4.985170     -1.599493      2.124906
  C      -7.258621     -4.765790      3.708628
  C      -8.429974     -5.537043      3.826641
  C      -9.525841     -4.988875      4.503165
  C      -9.440918     -3.736950      5.110259
  F     -10.484917     -3.314000      5.858341
  C      -8.279232     -2.957445      5.016405
  C      -7.929612     -1.769075      5.866303
  O      -8.680483     -0.815249      6.063766
  C      -6.579769     -1.937831      6.489085
  O      -5.907941     -2.991035      6.180424
  C      -6.143092     -1.025784      7.549829
  O      -6.704682     -0.102018      8.056606
  Cl     -4.403890     -1.457316      8.143210
  C      -7.275423     -3.471863      4.214296
  C      -3.468392     -5.386260      6.519213
  C      -2.369406     -5.151978      7.368569
  C      -2.559911     -4.939566      8.730862
  C      -3.854817     -4.956130      9.237199
  F      -4.035414     -4.694529     10.552676
  C      -4.968325     -5.212467      8.427770
  C      -6.349938     -5.207515      8.921373
  O      -7.344864     -5.290993      8.208230
  C      -6.679527     -5.200865     10.418405
  O      -6.640099     -6.203916     11.089011
  C      -7.226474     -3.838564     10.912504
  O      -7.299006     -2.875693     10.209360
  Cl     -7.696978     -3.856056     12.626761
  C      -4.749760     -5.433099      7.059529
  H      -1.591607     -1.360863      1.942360
  H      -2.177459      1.064795      1.793852
  H      -5.793400     -2.327814      2.200230
  H      -8.494451     -6.559839      3.452798
  H     -10.447742     -5.560491      4.615998
  H      -6.271379     -3.063767      4.139715
  H      -1.363719     -5.100666      6.948674
  H      -1.725408     -4.726698      9.398621
  H      -5.613220     -5.618261      6.419757
  N      -4.518266     -2.932730      4.963296
  H      -4.331630     -1.939251      4.784539
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.218411260024
  N      -3.350458     -3.363319      2.397961
  C      -2.714621     -4.071011      1.298902
  C      -2.380188     -5.467607      1.748911
  N      -3.509933     -6.025642      2.504006
  C      -4.661988     -6.378372      1.658589
  C      -5.924776     -6.391556      2.489162
  N      -5.998523     -5.166946      3.256194
  Mo     -4.246772     -4.357838      3.867916
  N      -3.310058     -5.553777      5.130606
  C      -2.466385     -6.621479      4.628291
  C      -3.096298     -7.154329      3.363989
  H      -2.393258     -7.430276      5.372296
  H      -1.437893     -6.263504      4.438880
  H      -4.001215     -7.715406      3.629326
  H      -2.418949     -7.830589      2.814039
  H      -6.789628     -6.464351      1.809006
  H      -5.967811     -7.276476      3.151029
  H      -4.759253     -5.602219      0.887616
  H      -4.494233     -7.345973      1.153398
  H      -1.790529     -3.560106      0.979645
  H      -3.390778     -4.071187      0.424227
  H      -1.522600     -5.433049      2.435938
  H      -2.110209     -6.108987      0.891641
  C      -3.641435     -2.014081      2.140079
  C      -2.622265     -1.055306      1.984520
  C      -2.931227      0.301821      1.911501
  C      -4.259941      0.693634      2.018355
  F      -4.554266      2.016299      2.033921
  C      -5.301751     -0.232915      2.115572
  C      -6.717291      0.138061      2.346528
  O      -7.659889     -0.575411      2.045220
  C      -7.040311      1.430305      3.137593
  O      -7.701756      2.329590      2.680751
  C      -6.489281      1.404527      4.583247
  O      -5.712734      0.564760      4.954631
  Cl     -7.057213      2.734731      5.584284
  C      -4.972806     -1.595201      2.131525
  C      -7.265283     -4.760439      3.698321
  C      -8.429861     -5.541588      3.819107
  C      -9.533837     -5.000293      4.486260
  C      -9.460333     -3.743256      5.083800
  F     -10.509419     -3.323251      5.826657
  C      -8.305541     -2.954784      4.988720
  C      -7.972239     -1.770379      5.852118
  O      -8.727563     -0.821882      6.053077
  C      -6.624595     -1.945609      6.485136
  O      -5.962747     -2.996677      6.171378
  C      -6.184483     -1.029347      7.544197
  O      -6.743202     -0.099461      8.042644
  Cl     -4.448714     -1.464661      8.138647
  C      -7.290565     -3.462649      4.192481
  C      -3.460397     -5.386861      6.517825
  C      -2.355136     -5.156131      7.359929
  C      -2.536248     -4.941778      8.723275
  C      -3.828016     -4.953455      9.237796
  F      -3.999424     -4.689901     10.554156
  C      -4.947473     -5.206438      8.435570
  C      -6.325546     -5.198121      8.939024
  O      -7.326125     -5.271674      8.232719
  C      -6.645175     -5.202087     10.437967
  O      -6.593772     -6.209546     11.101296
  C      -7.203237     -3.848838     10.944507
  O      -7.308323     -2.886564     10.245088
  Cl     -7.639060     -3.877393     12.668471
  C      -4.738548     -5.428563      7.066069
  H      -1.577482     -1.369952      1.980071
  H      -2.151903      1.058518      1.820864
  H      -5.784482     -2.320142      2.200630
  H      -8.481777     -6.567718      3.452717
  H     -10.451103     -5.579165      4.599420
  H      -6.288727     -3.044530      4.120518
  H      -1.352013     -5.108902      6.933486
  H      -1.696794     -4.731460      9.385624
  H      -5.606763     -5.610850      6.431953
  N      -4.519321     -2.946269      4.965588
  H      -4.317123     -1.952581      4.807312
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.221147689509
  N      -3.343544     -3.364515      2.417597
  C      -2.723326     -4.069811      1.309584
  C      -2.389100     -5.467290      1.751889
  N      -3.518130     -6.025884      2.505400
  C      -4.668980     -6.376547      1.660084
  C      -5.930887     -6.388035      2.489894
  N      -6.004025     -5.162393      3.253837
  Mo     -4.255954     -4.362450      3.875075
  N      -3.310338     -5.557936      5.129153
  C      -2.472567     -6.627246      4.624852
  C      -3.105919     -7.155959      3.362211
  H      -2.401566     -7.437025      5.367994
  H      -1.443065     -6.272537      4.434416
  H      -4.011636     -7.715217      3.628779
  H      -2.431600     -7.833411      2.809910
  H      -6.795856     -6.460870      1.810090
  H      -5.974816     -7.271506      3.153376
  H      -4.765746     -5.600074      0.889387
  H      -4.502129     -7.344042      1.154341
  H      -1.801878     -3.559995      0.981065
  H      -3.409796     -4.065433      0.442966
  H      -1.530929     -5.436176      2.438311
  H      -2.120923     -6.105013      0.891335
  C      -3.629849     -2.014295      2.161310
  C      -2.605077     -1.060065      2.014892
  C      -2.906948      0.298199      1.935356
  C      -4.235257      0.695549      2.025800
  F      -4.523957      2.019433      2.034166
  C      -5.281820     -0.226597      2.113348
  C      -6.698252      0.151505      2.325234
  O      -7.640339     -0.560353      2.017798
  C      -7.025071      1.446881      3.108807
  O      -7.671986      2.351397      2.640896
  C      -6.509156      1.410543      4.566452
  O      -5.748286      0.562785      4.952541
  Cl     -7.093299      2.739437      5.561035
  C      -4.958814     -1.590535      2.137796
  C      -7.272060     -4.754141      3.687469
  C      -8.429896     -5.545036      3.810531
  C      -9.542273     -5.010644      4.467558
  C      -9.480458     -3.748526      5.055419
  F     -10.535100     -3.331368      5.792232
  C      -8.332423     -2.951385      4.960025
  C      -8.016296     -1.770967      5.837005
  O      -8.776637     -0.828194      6.040784
  C      -6.671120     -1.952096      6.481366
  O      -6.017416     -3.000519      6.163376
  C      -6.227916     -1.030027      7.537300
  O      -6.785404     -0.095602      8.028410
  Cl     -4.497517     -1.470705      8.136417
  C      -7.305807     -3.452950      4.170587
  C      -3.452379     -5.388754      6.516227
  C      -2.340380     -5.163103      7.350759
  C      -2.511445     -4.946094      8.715062
  C      -3.799841     -4.950818      9.238105
  F      -3.961237     -4.684965     10.555297
  C      -4.925779     -5.198906      8.443429
  C      -6.300129     -5.185933      8.957203
  O      -7.306247     -5.251584      8.258106
  C      -6.609236     -5.201816     10.458058
  O      -6.546045     -6.214170     11.113091
  C      -7.173939     -3.857069     10.979744
  O      -7.308949     -2.894259     10.286599
  Cl     -7.573624     -3.897948     12.712889
  C      -4.727202     -5.423118      7.072736
  H      -1.561877     -1.379976      2.022537
  H      -2.123462      1.051339      1.851392
  H      -5.774276     -2.311750      2.199387
  H      -8.469145     -6.574185      3.451357
  H     -10.454982     -5.596615      4.580540
  H      -6.307004     -3.023363      4.101198
  H      -1.339887     -5.121661      6.917610
  H      -1.666588     -4.739521      9.371706
  H      -5.600697     -5.601160      6.444682
  N      -4.520383     -2.959458      4.967975
  H      -4.304996     -1.965335      4.832566
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.223969494942
  N      -3.337800     -3.365974      2.438254
  C      -2.732581     -4.067586      1.320884
  C      -2.398043     -5.466375      1.754359
  N      -3.526167     -6.026342      2.506426
  C      -4.675835     -6.375248      1.660974
  C      -5.937019     -6.385379      2.490091
  N      -6.009775     -5.158807      3.251653
  Mo     -4.265958     -4.367891      3.882742
  N      -3.310500     -5.562953      5.127378
  C      -2.477927     -6.633483      4.620878
  C      -3.114653     -7.158058      3.359671
  H      -2.408642     -7.444338      5.362998
  H      -1.447629     -6.281447      4.429465
  H      -4.020811     -7.716094      3.627429
  H      -2.443092     -7.836114      2.804678
  H      -6.802090     -6.458057      1.810624
  H      -5.981719     -7.267637      3.154854
  H      -4.772216     -5.598565      0.890459
  H      -4.509659     -7.342647      1.154802
  H      -1.814124     -3.557947      0.983834
  H      -3.429026     -4.058286      0.462271
  H      -1.538983     -5.439059      2.439772
  H      -2.131998     -6.099820      0.890022
  C      -3.619777     -2.014410      2.184997
  C      -2.589778     -1.064216      2.049881
  C      -2.885357      0.295098      1.965682
  C      -4.213515      0.697018      2.039307
  F      -4.497365      2.021870      2.041851
  C      -5.264213     -0.221554      2.114702
  C      -6.681950      0.161609      2.306393
  O      -7.622595     -0.546824      1.986289
  C      -7.014720      1.459917      3.081163
  O      -7.633312      2.376127      2.596981
  C      -6.525335      1.417431      4.546566
  O      -5.784486      0.558016      4.946123
  Cl     -7.098848      2.761383      5.528200
  C      -4.946273     -1.586619      2.145720
  C      -7.279420     -4.749088      3.676940
  C      -8.430206     -5.550036      3.802115
  C      -9.551349     -5.022857      4.448397
  C      -9.502011     -3.755501      5.026198
  F     -10.562831     -3.341491      5.756106
  C      -8.360971     -2.949449      4.931092
  C      -8.063200     -1.772152      5.820943
  O      -8.829275     -0.835523      6.025963
  C      -6.720450     -1.957659      6.477728
  O      -6.072576     -3.002898      6.156889
  C      -6.274842     -1.027310      7.528654
  O      -6.831642     -0.087506      8.010200
  Cl     -4.546694     -1.466294      8.127955
  C      -7.322293     -3.444861      4.149497
  C      -3.443670     -5.391645      6.514420
  C      -2.324694     -5.171600      7.341050
  C      -2.485259     -4.951558      8.706229
  C      -3.770032     -4.948731      9.238131
  F      -3.920912     -4.680572     10.556121
  C      -4.902650     -5.191663      8.451364
  C      -6.273102     -5.174378      8.975882
  O      -7.284637     -5.234022      8.284266
  C      -6.571137     -5.201039     10.478608
  O      -6.496608     -6.217838     11.125762
  C      -7.143680     -3.865172     11.014210
  O      -7.307692     -2.902504     10.327509
  Cl     -7.509683     -3.917650     12.755146
  C      -4.714917     -5.418139      7.079575
  H      -1.548170     -1.388851      2.070306
  H      -2.098234      1.045322      1.890269
  H      -5.764956     -2.304774      2.198225
  H      -8.456393     -6.581975      3.450160
  H     -10.459291     -5.616148      4.561010
  H      -6.327902     -3.001919      4.082377
  H      -1.326968     -5.136553      6.901041
  H      -1.634784     -4.749073      9.356873
  H      -5.593985     -5.591753      6.458056
  N      -4.522795     -2.972341      4.970248
  H      -4.297192     -1.977394      4.859820
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.226883220955
  N      -3.330774     -3.368857      2.459846
  C      -2.740338     -4.066289      1.333084
  C      -2.406901     -5.467131      1.756774
  N      -3.534744     -6.027897      2.507229
  C      -4.683528     -6.373850      1.661218
  C      -5.944171     -6.381650      2.489510
  N      -6.015401     -5.154320      3.249500
  Mo     -4.275519     -4.374334      3.890838
  N      -3.310715     -5.570167      5.125178
  C      -2.483724     -6.642251      4.616240
  C      -3.124563     -7.161986      3.356420
  H      -2.416488     -7.454368      5.357154
  H      -1.452490     -6.293367      4.423766
  H      -4.031478     -7.718285      3.625395
  H      -2.456366     -7.840839      2.798287
  H      -6.809338     -6.452877      1.810239
  H      -5.990621     -7.263001      3.155074
  H      -4.778574     -5.596805      0.890925
  H      -4.518850     -7.341277      1.154602
  H      -1.824385     -3.557099      0.988614
  H      -3.446041     -4.050877      0.482104
  H      -1.546790     -5.445030      2.440988
  H      -2.143910     -6.096085      0.888281
  C      -3.607165     -2.015238      2.210351
  C      -2.571313     -1.069707      2.088251
  C      -2.859233      0.290742      1.997997
  C      -4.186597      0.698525      2.051797
  F      -4.463931      2.024559      2.046884
  C      -5.242226     -0.215370      2.114455
  C      -6.661015      0.174545      2.283876
  O      -7.599355     -0.533577      1.955495
  C      -7.000138      1.476107      3.049894
  O      -7.614554      2.390716      2.556319
  C      -6.552254      1.424930      4.526933
  O      -5.826126      0.560481      4.943874
  Cl     -7.157250      2.761086      5.501797
  C      -4.930685     -1.582135      2.153230
  C      -7.286517     -4.742051      3.666336
  C      -8.430980     -5.551979      3.793268
  C      -9.560772     -5.031145      4.427982
  C      -9.523438     -3.758593      4.995417
  F     -10.590718     -3.346920      5.717386
  C      -8.388628     -2.944763      4.901455
  C      -8.109137     -1.770275      5.803177
  O      -8.880515     -0.838974      6.007358
  C      -6.769919     -1.960233      6.473986
  O      -6.126648     -3.002882      6.152101
  C      -6.322053     -1.020380      7.518337
  O      -6.879363     -0.076336      7.990959
  Cl     -4.597611     -1.458821      8.120915
  C      -7.337785     -3.435211      4.128960
  C      -3.434339     -5.396825      6.512381
  C      -2.308068     -5.183861      7.330918
  C      -2.457634     -4.960586      8.696911
  C      -3.738541     -4.948992      9.237953
  F      -3.878267     -4.678858     10.556770
  C      -4.878158     -5.185719      8.459374
  C      -6.244536     -5.164470      8.995142
  O      -7.261661     -5.214722      8.311209
  C      -6.531061     -5.198940     10.499807
  O      -6.445721     -6.219054     11.140659
  C      -7.107321     -3.870046     11.048252
  O      -7.296593     -2.907697     10.367937
  Cl     -7.439526     -3.931187     12.796362
  C      -4.701806     -5.414201      7.086468
  H      -1.531777     -1.399853      2.122867
  H      -2.067825      1.037308      1.931856
  H      -5.753169     -2.296542      2.195266
  H      -8.444885     -6.586470      3.448508
  H     -10.464402     -5.631030      4.539864
  H      -6.348516     -2.977993      4.064195
  H      -1.313193     -5.156447      6.883973
  H      -1.601233     -4.763265      9.341367
  H      -5.586745     -5.582796      6.471880
  N      -4.523999     -2.984853      4.973195
  H      -4.290260     -1.989222      4.890540
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.229898951742
  N      -3.325944     -3.371804      2.482061
  C      -2.749139     -4.063424      1.345402
  C      -2.415657     -5.466714      1.758007
  N      -3.542683     -6.029647      2.507316
  C      -4.690631     -6.373517      1.660567
  C      -5.950947     -6.379842      2.488192
  N      -6.021283     -5.151866      3.247547
  Mo     -4.285918     -4.381885      3.899294
  N      -3.310475     -5.578190      5.122588
  C      -2.487832     -6.651189      4.610856
  C      -3.132487     -7.166305      3.352031
  H      -2.421844     -7.464683      5.350338
  H      -1.456034     -6.304403      4.417366
  H      -4.039551     -7.721889      3.622146
  H      -2.467078     -7.844993      2.790354
  H      -6.816173     -6.449681      1.809112
  H      -5.998663     -7.260617      3.154126
  H      -4.784800     -5.596276      0.890390
  H      -4.526836     -7.340917      1.153660
  H      -1.836186     -3.553290      0.994456
  H      -3.463673     -4.041761      0.501908
  H      -1.553992     -5.449928      2.440324
  H      -2.156065     -6.090386      0.884774
  C      -3.597895     -2.015872      2.238071
  C      -2.557369     -1.073725      2.131769
  C      -2.839552      0.287699      2.038893
  C      -4.166619      0.699337      2.073323
  F      -4.439407      2.026122      2.063898
  C      -5.225720     -0.211579      2.119488
  C      -6.646149      0.181774      2.265345
  O      -7.580548     -0.523063      1.918625
  C      -6.994714      1.484983      3.022811
  O      -7.577868      2.411441      2.512286
  C      -6.569477      1.431314      4.504470
  O      -5.864494      0.555338      4.934358
  Cl     -7.152841      2.788950      5.464142
  C      -4.918611     -1.579217      2.162547
  C      -7.294354     -4.737675      3.656258
  C      -8.432251     -5.556835      3.784785
  C      -9.570958     -5.042636      4.407383
  C      -9.546479     -3.764802      4.964100
  F     -10.620816     -3.355951      5.677311
  C      -8.418199     -2.942870      4.871739
  C      -8.157939     -1.769943      5.783972
  O      -8.935033     -0.844062      5.985277
  C      -6.822460     -1.963027      6.470096
  O      -6.181650     -3.002591      6.148870
  C      -6.373467     -1.011813      7.506640
  O      -6.932893     -0.064451      7.970253
  Cl     -4.650765     -1.444688      8.110181
  C      -7.354919     -3.428494      4.109528
  C      -3.423962     -5.402669      6.510108
  C      -2.290367     -5.196626      7.320250
  C      -2.428801     -4.968616      8.686728
  C      -3.705693     -4.946781      9.236922
  F      -3.833994     -4.672651     10.556051
  C      -4.852339     -5.177627      8.466847
  C      -6.214831     -5.150500      9.013226
  O      -7.236695     -5.198821      8.336517
  C      -6.490141     -5.194074     10.519577
  O      -6.394022     -6.217859     11.153362
  C      -7.071789     -3.873288     11.081152
  O      -7.284359     -2.910550     10.408585
  Cl     -7.375757     -3.945718     12.834586
  C      -4.687415     -5.410152      7.093328
  H      -1.519743     -1.408108      2.180975
  H      -2.045072      1.031935      1.984682
  H      -5.743688     -2.291210      2.191796
  H      -8.433634     -6.593688      3.447331
  H     -10.470007     -5.649400      4.518471
  H      -6.372371     -2.955172      4.046989
  H      -1.298445     -5.177562      6.866396
  H      -1.566440     -4.776091      9.324663
  H      -5.578315     -5.574043      6.486066
  N      -4.527266     -2.997770      4.976139
  H      -4.288388     -2.001281      4.923729
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.233071708506
  N      -3.319539     -3.376159      2.505401
  C      -2.755938     -4.061339      1.358812
  C      -2.424194     -5.467898      1.759168
  N      -3.551119     -6.032273      2.507244
  C      -4.698709     -6.372453      1.659320
  C      -5.958894     -6.376253      2.486181
  N      -6.026915     -5.147973      3.246106
  Mo     -4.295361     -4.390342      3.908644
  N      -3.309962     -5.588880      5.119795
  C      -2.492174     -6.663080      4.604627
  C      -3.141625     -7.172500      3.346706
  H      -2.427769     -7.478331      5.342281
  H      -1.459667     -6.318932      4.409990
  H      -4.049237     -7.726739      3.617952
  H      -2.479792     -7.851156      2.780775
  H      -6.824187     -6.442997      1.807132
  H      -6.009025     -7.256956      3.151736
  H      -4.790850     -5.594651      0.889482
  H      -4.536831     -7.339873      1.151901
  H      -1.845266     -3.550611      1.002849
  H      -3.478397     -4.031983      0.522255
  H      -1.560729     -5.458234      2.439247
  H      -2.169232     -6.086010      0.880733
  C      -3.586051     -2.017229      2.267712
  C      -2.540677     -1.078749      2.179483
  C      -2.816132      0.283631      2.082559
  C      -4.142196      0.699891      2.093887
  F      -4.409277      2.027543      2.078506
  C      -5.205127     -0.207304      2.122265
  C      -6.626779      0.191161      2.241795
  O      -7.556293     -0.513054      1.880117
  C      -6.984965      1.496357      2.990817
  O      -7.563110      2.420899      2.469672
  C      -6.599473      1.436894      4.481069
  O      -5.911108      0.555572      4.928646
  Cl     -7.207632      2.791851      5.430910
  C      -4.903485     -1.576334      2.171000
  C      -7.301707     -4.730490      3.646670
  C      -8.434232     -5.557325      3.776072
  C      -9.581569     -5.048575      4.385735
  C      -9.569016     -3.765739      4.931832
  F     -10.650583     -3.358726      5.635231
  C      -8.446143     -2.937257      4.842145
  C      -8.204488     -1.765686      5.763739
  O      -8.986357     -0.843849      5.959632
  C      -6.874180     -1.962251      6.466981
  O      -6.234851     -2.999842      6.148857
  C      -6.424406     -0.998706      7.494295
  O      -6.985981     -0.047517      7.947509
  Cl     -4.701495     -1.422137      8.096009
  C      -7.370474     -3.419393      4.091512
  C      -3.412503     -5.411554      6.507956
  C      -2.271313     -5.214295      7.309583
  C      -2.398148     -4.981901      8.676548
  C      -3.670743     -4.948722      9.236148
  F      -3.786962     -4.671639     10.555731
  C      -4.824713     -5.172283      8.474796
  C      -6.183173     -5.140058      9.032275
  O      -7.210062     -5.180713      8.362944
  C      -6.446846     -5.188376     10.540431
  O      -6.339984     -6.214125     11.169719
  C      -7.031518     -3.873751     11.112246
  O      -7.263187     -2.911129     10.446003
  Cl     -7.309217     -3.953382     12.870380
  C      -4.671711     -5.408000      7.100567
  H      -1.505450     -1.417830      2.245069
  H      -2.018272      1.025081      2.041498
  H      -5.731359     -2.285521      2.185475
  H      -8.424414     -6.596281      3.445671
  H     -10.476744     -5.661211      4.495443
  H      -6.395233     -2.929442      4.031626
  H      -1.282436     -5.204909      6.848833
  H      -1.529543     -4.795702      9.307897
  H      -5.568802     -5.566539      6.500979
  N      -4.528553     -3.010268      4.980830
  H      -4.286784     -2.013325      4.962070
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.236421443828
  N      -3.314583     -3.380895      2.528796
  C      -2.762698     -4.058363      1.372086
  C      -2.432249     -5.468655      1.759126
  N      -3.558867     -6.035253      2.506437
  C      -4.706212     -6.372073      1.656914
  C      -5.966702     -6.373616      2.482841
  N      -6.032603     -5.145194      3.244479
  Mo     -4.305008     -4.399641      3.918186
  N      -3.309267     -5.600696      5.116659
  C      -2.495327     -6.675738      4.597781
  C      -3.149267     -7.179448      3.340234
  H      -2.432110     -7.492915      5.333354
  H      -1.462327     -6.333526      4.402242
  H      -4.057098     -7.733022      3.612329
  H      -2.490585     -7.857287      2.769711
  H      -6.831877     -6.436777      1.803577
  H      -6.019373     -7.254665      3.147436
  H      -4.796153     -5.593785      0.887323
  H      -4.545972     -7.339527      1.149172
  H      -1.854364     -3.546034      1.012527
  H      -3.492223     -4.020984      0.541919
  H      -1.566496     -5.466606      2.436238
  H      -2.182569     -6.080651      0.875044
  C      -3.576517     -2.018619      2.298804
  C      -2.527586     -1.082636      2.232014
  C      -2.798046      0.280563      2.133683
  C      -4.123348      0.699750      2.121076
  F      -4.386446      2.027936      2.102143
  C      -5.188638     -0.205150      2.127705
  C      -6.611884      0.195830      2.219224
  O      -7.534271     -0.505810      1.834420
  C      -6.982609      1.500707      2.961608
  O      -7.541118      2.430814      2.427347
  C      -6.623204      1.438611      4.455624
  O      -5.955216      0.547840      4.916834
  Cl     -7.221895      2.807685      5.392946
  C      -4.890688     -1.574949      2.179347
  C      -7.309514     -4.724480      3.636969
  C      -8.437115     -5.558501      3.766117
  C      -9.593184     -5.054992      4.362124
  C      -9.592709     -3.767477      4.898081
  F     -10.681981     -3.362492      5.590752
  C      -8.474926     -2.932847      4.812201
  C      -8.252047     -1.761842      5.741956
  O      -9.038416     -0.843521      5.930384
  C      -6.927549     -1.961127      6.463901
  O      -6.287862     -2.996661      6.151380
  C      -6.478338     -0.983889      7.481093
  O      -7.045516     -0.032792      7.927648
  Cl     -4.757142     -1.398830      8.085658
  C      -7.386778     -3.411814      4.074403
  C      -3.400250     -5.421341      6.505708
  C      -2.251385     -5.233611      7.298596
  C      -2.366327     -4.995294      8.665685
  C      -3.634349     -4.948405      9.234714
  F      -3.737888     -4.666511     10.554238
  C      -4.795856     -5.164205      8.482496
  C      -6.150372     -5.124904      9.050826
  O      -7.181811     -5.161943      8.388606
  C      -6.402199     -5.178496     10.560691
  O      -6.285120     -6.206516     11.184967
  C      -6.988945     -3.870184     11.143272
  O      -7.234624     -2.905760     10.484807
  Cl     -7.247443     -3.960010     12.904421
  C      -4.655025     -5.404831      7.107920
  H      -1.494755     -1.425272      2.315018
  H      -1.998023      1.020378      2.108681
  H      -5.720119     -2.282484      2.176318
  H      -8.416572     -6.599258      3.442365
  H     -10.484664     -5.673269      4.469754
  H      -6.420314     -2.904126      4.017513
  H      -1.265651     -5.235545      6.831097
  H      -1.491326     -4.815857      9.290144
  H      -5.558512     -5.557666      6.516435
  N      -4.531080     -3.022892      4.985712
  H      -4.289792     -2.025811      5.003874
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.239949224328
  N      -3.309389     -3.386694      2.552130
  C      -2.767904     -4.055813      1.385524
  C      -2.439779     -5.470404      1.758514
  N      -3.566509     -6.038875      2.505379
  C      -4.714060     -6.371414      1.653867
  C      -5.975207     -6.369990      2.478719
  N      -6.038107     -5.141711      3.243305
  Mo     -4.313749     -4.409456      3.928280
  N      -3.308353     -5.614445      5.113510
  C      -2.498097     -6.690338      4.590420
  C      -3.156930     -7.187774      3.332949
  H      -2.436112     -7.509718      5.323596
  H      -1.464602     -6.350088      4.394019
  H      -4.065107     -7.740575      3.605729
  H      -2.501641     -7.864543      2.757341
  H      -6.840161     -6.428230      1.799004
  H      -6.031269     -7.251877      3.141643
  H      -4.800904     -5.592461      0.884605
  H      -4.556072     -7.338979      1.145788
  H      -1.861282     -3.541792      1.024115
  H      -3.503266     -4.009574      0.560861
  H      -1.571384     -5.477188      2.432092
  H      -2.196445     -6.076127      0.868509
  C      -3.566504     -2.020490      2.331023
  C      -2.514675     -1.086724      2.288894
  C      -2.780439      0.277281      2.189922
  C      -4.104512      0.699076      2.150816
  F      -4.363812      2.027744      2.128838
  C      -5.171523     -0.203719      2.132837
  C      -6.596206      0.199533      2.193780
  O      -7.509480     -0.500394      1.784246
  C      -6.981317      1.502741      2.931226
  O      -7.532816      2.432356      2.386984
  C      -6.653548      1.436536      4.429530
  O      -6.004161      0.538653      4.905576
  Cl     -7.260238      2.810404      5.356669
  C      -4.877004     -1.574273      2.186663
  C      -7.317053     -4.716856      3.628040
  C      -8.441046     -5.556518      3.755401
  C      -9.605403     -5.057283      4.337523
  C      -9.615861     -3.765795      4.864605
  F     -10.712829     -3.362286      5.545923
  C      -8.502009     -2.926479      4.783885
  C      -8.296706     -1.755694      5.720541
  O      -9.086317     -0.839376      5.899259
  C      -6.979006     -1.957490      6.462448
  O      -6.337801     -2.991890      6.158431
  C      -6.531054     -0.965542      7.468359
  O      -7.102391     -0.011657      7.903600
  Cl     -4.803787     -1.359077      8.062354
  C      -7.401890     -3.403135      4.059667
  C      -3.387187     -5.433338      6.503724
  C      -2.230624     -5.256995      7.287961
  C      -2.333484     -5.012675      8.655057
  C      -3.596692     -4.950348      9.233388
  F      -3.687128     -4.663810     10.552755
  C      -4.765843     -5.156915      8.490309
  C      -6.116440     -5.109972      9.069381
  O      -7.152214     -5.143818      8.414099
  C      -6.356368     -5.167050     10.580886
  O      -6.226768     -6.196076     11.201712
  C      -6.946246     -3.864956     11.172183
  O      -7.202440     -2.898480     10.520638
  Cl     -7.190426     -3.963989     12.935477
  C      -4.637367     -5.402258      7.115479
  H      -1.484613     -1.432686      2.390773
  H      -1.978785      1.015727      2.183249
  H      -5.707353     -2.280451      2.163583
  H      -8.411332     -6.598686      3.437307
  H     -10.493966     -5.680217      4.442074
  H      -6.444930     -2.877534      4.006077
  H      -1.248079     -5.271925      6.814023
  H      -1.451995     -4.841453      9.272707
  H      -5.547373     -5.548435      6.532255
  N      -4.532466     -3.034893      4.991682
  H      -4.295040     -2.038209      5.049992
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.243578506846
  N      -3.305380     -3.392833      2.574190
  C      -2.771907     -4.053061      1.398287
  C      -2.446221     -5.472228      1.757173
  N      -3.573390     -6.042774      2.503688
  C      -4.721123     -6.371002      1.649451
  C      -5.983602     -6.366591      2.472696
  N      -6.043712     -5.138574      3.241229
  Mo     -4.322404     -4.419315      3.937884
  N      -3.308013     -5.628701      5.110303
  C      -2.500482     -6.705264      4.582917
  C      -3.163700     -7.196675      3.324996
  H      -2.439512     -7.526889      5.313603
  H      -1.466625     -6.366463      4.385979
  H      -4.072160     -7.749035      3.598011
  H      -2.511360     -7.871915      2.744387
  H      -6.847914     -6.419365      1.792001
  H      -6.043543     -7.249678      3.133415
  H      -4.804243     -5.591359      0.880491
  H      -4.565216     -7.338696      1.141191
  H      -1.866502     -3.536814      1.037088
  H      -3.511464     -3.997893      0.577815
  H      -1.575117     -5.488143      2.426970
  H      -2.209441     -6.071638      0.861321
  C      -3.557956     -2.022412      2.363024
  C      -2.504571     -1.090110      2.349089
  C      -2.767068      0.274639      2.251746
  C      -4.089735      0.697896      2.185001
  F      -4.346603      2.026832      2.162332
  C      -5.157001     -0.203716      2.138946
  C      -6.583119      0.199931      2.168190
  O      -7.484821     -0.497145      1.728790
  C      -6.984629      1.499850      2.901877
  O      -7.527519      2.430092      2.348112
  C      -6.680607      1.431268      4.401907
  O      -6.049774      0.525545      4.889981
  Cl     -7.283743      2.814147      5.319827
  C      -4.864507     -1.574565      2.192422
  C      -7.324965     -4.709447      3.618115
  C      -8.446300     -5.553732      3.741666
  C      -9.618742     -5.058267      4.309568
  C      -9.639658     -3.763507      4.829170
  F     -10.744556     -3.361404      5.498337
  C      -8.529041     -2.920297      4.754978
  C      -8.340552     -1.748994      5.696746
  O      -9.132576     -0.833735      5.864069
  C      -7.030602     -1.952835      6.459690
  O      -6.386837     -2.986292      6.167394
  C      -6.585078     -0.945391      7.453797
  O      -7.166447      0.003013      7.887672
  Cl     -4.858981     -1.327198      8.051763
  C      -7.417265     -3.395020      4.045341
  C      -3.374042     -5.446039      6.501898
  C      -2.209661     -5.282857      7.277338
  C      -2.299694     -5.032891      8.644383
  C      -3.557469     -4.953621      9.232422
  F      -3.633765     -4.662754     10.551560
  C      -4.734628     -5.149103      8.498877
  C      -6.081039     -5.093324      9.089193
  O      -7.121351     -5.118712      8.441080
  C      -6.308253     -5.150713     10.602508
  O      -6.170577     -6.180664     11.220836
  C      -6.896176     -3.852207     11.200844
  O      -7.152085     -2.880932     10.556198
  Cl     -7.137147     -3.961082     12.964504
  C      -4.619227     -5.398726      7.123677
  H      -1.477511     -1.438577      2.470919
  H      -1.965007      1.012515      2.266217
  H      -5.694528     -2.280165      2.146922
  H      -8.408459     -6.596925      3.428235
  H     -10.504907     -5.685243      4.409787
  H      -6.470881     -2.851376      3.995511
  H      -1.230569     -5.312408      6.797013
  H      -1.411448     -4.871477      9.254972
  H      -5.536072     -5.537173      6.549208
  N      -4.535149     -3.046375      4.997077
  H      -4.304943     -2.051273      5.097898
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.251712327473
  N      -3.300755     -3.398009      2.570561
  C      -2.754709     -4.059592      1.386045
  C      -2.427641     -5.489067      1.739059
  N      -3.563794     -6.062234      2.488367
  C      -4.719534     -6.389633      1.625521
  C      -5.990261     -6.378257      2.450913
  N      -6.048652     -5.141198      3.231372
  Mo     -4.321439     -4.425615      3.936844
  N      -3.303774     -5.641842      5.108219
  C      -2.485735     -6.726320      4.578833
  C      -3.150443     -7.223720      3.313104
  H      -2.422531     -7.547911      5.309810
  H      -1.451188     -6.386936      4.383286
  H      -4.057834     -7.778636      3.585558
  H      -2.496813     -7.897955      2.732419
  H      -6.853256     -6.427254      1.767658
  H      -6.055599     -7.264342      3.108334
  H      -4.798320     -5.610320      0.855444
  H      -4.566776     -7.358160      1.117146
  H      -1.847722     -3.540349      1.032021
  H      -3.488198     -4.001601      0.559398
  H      -1.555746     -5.507625      2.408148
  H      -2.190405     -6.088093      0.842771
  C      -3.552763     -2.015585      2.365347
  C      -2.498214     -1.084903      2.366390
  C      -2.761067      0.281022      2.278435
  C      -4.083328      0.706678      2.204744
  F      -4.337849      2.035951      2.188720
  C      -5.151456     -0.193326      2.142575
  C      -6.581521      0.203239      2.163292
  O      -7.472245     -0.496906      1.706663
  C      -6.996907      1.493006      2.905719
  O      -7.550741      2.420602      2.355659
  C      -6.695255      1.413710      4.401582
  O      -6.058026      0.507564      4.884055
  Cl     -7.318401      2.777487      5.335442
  C      -4.858528     -1.562401      2.186725
  C      -7.337018     -4.703335      3.608919
  C      -8.464139     -5.542223      3.723872
  C      -9.638406     -5.043450      4.285457
  C      -9.660876     -3.750160      4.810178
  F     -10.770067     -3.349571      5.472895
  C      -8.548622     -2.908638      4.748257
  C      -8.371604     -1.737712      5.695690
  O      -9.163901     -0.819466      5.842887
  C      -7.071110     -1.933199      6.485770
  O      -6.414672     -2.967052      6.230615
  C      -6.641505     -0.902091      7.463396
  O      -7.232227      0.051679      7.871976
  Cl     -4.912382     -1.252221      8.070612
  C      -7.434909     -3.385135      4.044077
  C      -3.365843     -5.460941      6.508550
  C      -2.200258     -5.302702      7.284228
  C      -2.286983     -5.049753      8.650719
  C      -3.542316     -4.962546      9.241496
  F      -3.613506     -4.668738     10.560042
  C      -4.721986     -5.154820      8.511174
  C      -6.067545     -5.090830      9.105765
  O      -7.109280     -5.125889      8.460964
  C      -6.281999     -5.132235     10.621850
  O      -6.141400     -6.158382     11.247494
  C      -6.861331     -3.829705     11.216961
  O      -7.096798     -2.850727     10.575454
  Cl     -7.082165     -3.928317     12.983743
  C      -4.610634     -5.408631      7.135978
  H      -1.472270     -1.434775      2.492852
  H      -1.959123      1.018733      2.304951
  H      -5.688830     -2.266876      2.128399
  H      -8.430326     -6.584307      3.406502
  H     -10.526944     -5.668265      4.377841
  H      -6.497598     -2.835758      3.995416
  H      -1.221263     -5.337574      6.804050
  H      -1.396588     -4.891741      9.259125
  H      -5.530735     -5.544588      6.566010
  N      -4.531333     -3.043704      4.997489
  H      -4.324954     -2.043687      5.135877
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.257008314638
  N      -3.296374     -3.403702      2.566254
  C      -2.742517     -4.065521      1.377614
  C      -2.417627     -5.502104      1.726872
  N      -3.559115     -6.075778      2.478040
  C      -4.720927     -6.399271      1.611170
  C      -5.997299     -6.381037      2.437346
  N      -6.052534     -5.139466      3.225174
  Mo     -4.319092     -4.429169      3.936535
  N      -3.299467     -5.652245      5.105915
  C      -2.476589     -6.741551      4.574337
  C      -3.144406     -7.241740      3.304256
  H      -2.412640     -7.562239      5.305637
  H      -1.442990     -6.401774      4.378878
  H      -4.051808     -7.796598      3.576627
  H      -2.491020     -7.914976      2.723205
  H      -6.859235     -6.424576      1.752913
  H      -6.067421     -7.267574      3.092858
  H      -4.793534     -5.619841      0.840820
  H      -4.572898     -7.368484      1.104217
  H      -1.833868     -3.544797      1.031471
  H      -3.470840     -4.004064      0.547392
  H      -1.545547     -5.524353      2.395247
  H      -2.182524     -6.101170      0.830910
  C      -3.545712     -2.013668      2.366350
  C      -2.489777     -1.086157      2.380843
  C      -2.752996      0.280718      2.301704
  C      -4.074377      0.708730      2.222212
  F      -4.326671      2.038197      2.211937
  C      -5.143378     -0.189407      2.145884
  C      -6.577040      0.201702      2.156194
  O      -7.456376     -0.498264      1.677822
  C      -7.005281      1.485337      2.900691
  O      -7.556794      2.413072      2.345632
  C      -6.719188      1.400181      4.395043
  O      -6.090155      0.489143      4.883268
  Cl     -7.349621      2.760307      5.329869
  C      -4.849941     -1.557016      2.182003
  C      -7.343529     -4.694665      3.603496
  C      -8.474108     -5.529508      3.709705
  C      -9.650027     -5.030374      4.267379
  C      -9.674876     -3.739623      4.797466
  F     -10.788146     -3.341286      5.454450
  C      -8.561373     -2.898403      4.744963
  C      -8.396748     -1.725614      5.690960
  O      -9.190216     -0.806060      5.818518
  C      -7.110865     -1.916844      6.508665
  O      -6.444407     -2.947986      6.292526
  C      -6.699188     -0.865923      7.477172
  O      -7.301799      0.087300      7.868437
  Cl     -4.973649     -1.194985      8.103372
  C      -7.447126     -3.375367      4.047146
  C      -3.354999     -5.474264      6.511709
  C      -2.187196     -5.321903      7.284465
  C      -2.268507     -5.065847      8.650421
  C      -3.520938     -4.970577      9.245455
  F      -3.584852     -4.674005     10.563527
  C      -4.704122     -5.159230      8.519213
  C      -6.049186     -5.089881      9.117984
  O      -7.092003     -5.132278      8.476521
  C      -6.252253     -5.117486     10.636195
  O      -6.105061     -6.139954     11.267516
  C      -6.824396     -3.812470     11.228990
  O      -7.063852     -2.834060     10.587151
  Cl     -7.063133     -3.915423     12.993510
  C      -4.597823     -5.415687      7.144247
  H      -1.464952     -1.437544      2.511239
  H      -1.951207      1.018191      2.338774
  H      -5.680088     -2.261077      2.112978
  H      -8.442516     -6.570264      3.387176
  H     -10.539756     -5.654540      4.352917
  H      -6.518820     -2.814406      3.998074
  H      -1.209152     -5.362798      6.802625
  H      -1.375022     -4.911896      9.255376
  H      -5.521477     -5.548031      6.578910
  N      -4.527503     -3.041313      4.994886
  H      -4.348419     -2.042625      5.176456
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.261109128619
  N      -3.294022     -3.409339      2.561531
  C      -2.735064     -4.070614      1.373474
  C      -2.414466     -5.510203      1.721182
  N      -3.557814     -6.082800      2.473079
  C      -4.722506     -6.401961      1.605608
  C      -6.001640     -6.378079      2.430505
  N      -6.054891     -5.135870      3.221426
  Mo     -4.316885     -4.430505      3.935977
  N      -3.296695     -5.658317      5.103645
  C      -2.472549     -6.748647      4.570043
  C      -3.142828     -7.249751      3.299272
  H      -2.408319     -7.568495      5.301797
  H      -1.440104     -6.407850      4.373624
  H      -4.050447     -7.803845      3.572172
  H      -2.489534     -7.922178      2.717776
  H      -6.862383     -6.416785      1.744739
  H      -6.075488     -7.264253      3.085426
  H      -4.789174     -5.622806      0.834690
  H      -4.578906     -7.372680      1.101173
  H      -1.824076     -3.549526      1.035129
  H      -3.458832     -4.006095      0.540076
  H      -1.542311     -5.535937      2.389045
  H      -2.182474     -6.109937      0.825332
  C      -3.539580     -2.015844      2.365961
  C      -2.482809     -1.090803      2.392220
  C      -2.746924      0.276638      2.320680
  C      -4.067606      0.705865      2.237525
  F      -4.318752      2.035360      2.234054
  C      -5.136803     -0.191238      2.149712
  C      -6.572869      0.195777      2.155357
  O      -7.444629     -0.504362      1.663720
  C      -7.007439      1.469934      2.910546
  O      -7.563441      2.399034      2.359651
  C      -6.717295      1.375522      4.399477
  O      -6.086335      0.460617      4.881471
  Cl     -7.341265      2.730722      5.346406
  C      -4.842386     -1.558180      2.177644
  C      -7.346126     -4.687546      3.599146
  C      -8.477663     -5.521525      3.697009
  C      -9.656836     -5.025550      4.250918
  C      -9.686992     -3.737409      4.785015
  F     -10.804820     -3.342388      5.435887
  C      -8.573399     -2.894318      4.740432
  C      -8.423246     -1.717390      5.680672
  O      -9.218174     -0.796572      5.786198
  C      -7.152303     -1.900887      6.523978
  O      -6.475795     -2.928349      6.349160
  C      -6.760393     -0.827062      7.483269
  O      -7.376764      0.124154      7.855688
  Cl     -5.034160     -1.123808      8.120149
  C      -7.456964     -3.369595      4.050052
  C      -3.345589     -5.483213      6.511654
  C      -2.175571     -5.336176      7.280900
  C      -2.252661     -5.077216      8.646532
  C      -3.503119     -4.975149      9.244995
  F      -3.560895     -4.676183     10.562579
  C      -4.689079     -5.160921      8.521880
  C      -6.035065     -5.089516      9.121863
  O      -7.076866     -5.141819      8.480327
  C      -6.232439     -5.106176     10.641026
  O      -6.080205     -6.125732     11.276806
  C      -6.808294     -3.802435     11.228735
  O      -7.022277     -2.816103     10.589316
  Cl     -7.024518     -3.892996     12.997423
  C      -4.586314     -5.418756      7.147339
  H      -1.458751     -1.442856      2.525961
  H      -1.945739      1.014329      2.366797
  H      -5.671591     -2.262723      2.100491
  H      -8.445072     -6.560853      3.369810
  H     -10.545942     -5.651498      4.330139
  H      -6.538810     -2.792357      3.999742
  H      -1.198477     -5.382761      6.797533
  H      -1.356707     -4.926882      9.248745
  H      -5.512545     -5.548071      6.585304
  N      -4.526411     -3.040195      4.987855
  H      -4.374758     -2.045931      5.211242
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.264556455760
  N      -3.291009     -3.415126      2.557064
  C      -2.729980     -4.075283      1.370710
  C      -2.415405     -5.516359      1.716258
  N      -3.558661     -6.086509      2.469557
  C      -4.726437     -6.399186      1.604593
  C      -6.005242     -6.369815      2.429589
  N      -6.054755     -5.129579      3.223034
  Mo     -4.310983     -4.431431      3.936386
  N      -3.292474     -5.665339      5.100901
  C      -2.470547     -6.755363      4.562915
  C      -3.144250     -7.254299      3.293354
  H      -2.406238     -7.575760      5.293967
  H      -1.438626     -6.414538      4.364453
  H      -4.052381     -7.806908      3.567578
  H      -2.492289     -7.926506      2.710038
  H      -6.865857     -6.403090      1.743464
  H      -6.082146     -7.256470      3.083530
  H      -4.788434     -5.619811      0.833594
  H      -4.589061     -7.371562      1.101546
  H      -1.816052     -3.555281      1.038788
  H      -3.450388     -4.006583      0.534755
  H      -1.542006     -5.546744      2.382264
  H      -2.188489     -6.116466      0.819290
  C      -3.531893     -2.019865      2.366460
  C      -2.474469     -1.096654      2.402971
  C      -2.739666      0.271092      2.338040
  C      -4.059757      0.700982      2.249773
  F      -4.309863      2.030526      2.249115
  C      -5.129003     -0.195146      2.151346
  C      -6.566625      0.190811      2.144275
  O      -7.429422     -0.505144      1.631373
  C      -7.007827      1.465673      2.893545
  O      -7.551662      2.395957      2.330179
  C      -6.743113      1.372924      4.383916
  O      -6.139111      0.447068      4.882439
  Cl     -7.368031      2.737420      5.317375
  C      -4.833806     -1.562032      2.174458
  C      -7.343852     -4.678476      3.602782
  C      -8.476736     -5.511429      3.693950
  C      -9.658026     -5.018861      4.247187
  C      -9.691792     -3.733831      4.786206
  F     -10.812136     -3.341150      5.433623
  C      -8.577461     -2.889671      4.747383
  C      -8.437343     -1.708080      5.679980
  O      -9.231472     -0.784161      5.765260
  C      -7.181306     -1.885044      6.545522
  O      -6.497063     -2.909633      6.409396
  C      -6.808076     -0.790453      7.498402
  O      -7.439238      0.155140      7.857651
  Cl     -5.081779     -1.056932      8.144396
  C      -7.459620     -3.363298      4.062018
  C      -3.333657     -5.494911      6.509871
  C      -2.160471     -5.354826      7.274927
  C      -2.232410     -5.095273      8.640817
  C      -3.480440     -4.987083      9.243874
  F      -3.531045     -4.688573     10.561508
  C      -4.669710     -5.168287      8.524876
  C      -6.015847     -5.096043      9.127473
  O      -7.057477     -5.156809      8.487092
  C      -6.208372     -5.101411     10.647278
  O      -6.042624     -6.115476     11.289422
  C      -6.785286     -3.797308     11.228432
  O      -7.024729     -2.821753     10.580934
  Cl     -7.055649     -3.898278     12.989908
  C      -4.571734     -5.424836      7.149813
  H      -1.450904     -1.448805      2.539533
  H      -1.939240      1.009157      2.391845
  H      -5.661500     -2.267361      2.088811
  H      -8.444278     -6.548972      3.361292
  H     -10.546415     -5.646481      4.321392
  H      -6.551992     -2.769663      4.009162
  H      -1.184845     -5.406853      6.789182
  H      -1.333629     -4.949983      9.240030
  H      -5.500722     -5.550019      6.591296
  N      -4.520983     -3.042580      4.981869
  H      -4.395054     -2.055160      5.246425
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.267554375441
  N      -3.289780     -3.420639      2.548028
  C      -2.726598     -4.080578      1.366267
  C      -2.416928     -5.520458      1.712944
  N      -3.558681     -6.087223      2.467842
  C      -4.727515     -6.395805      1.606549
  C      -6.004502     -6.361843      2.431119
  N      -6.052302     -5.124035      3.223618
  Mo     -4.304866     -4.430156      3.933154
  N      -3.290424     -5.666944      5.098137
  C      -2.470641     -6.755312      4.557776
  C      -3.145185     -7.253445      3.290759
  H      -2.406160     -7.575721      5.288899
  H      -1.439037     -6.414070      4.357781
  H      -4.053615     -7.804952      3.566474
  H      -2.493629     -7.926250      2.707368
  H      -6.864773     -6.392751      1.744342
  H      -6.083201     -7.248314      3.085447
  H      -4.786504     -5.617819      0.833889
  H      -4.595254     -7.370538      1.106258
  H      -1.809820     -3.562170      1.039386
  H      -3.443509     -4.009776      0.527240
  H      -1.542146     -5.553319      2.377105
  H      -2.194213     -6.122077      0.815661
  C      -3.526907     -2.025903      2.360508
  C      -2.470220     -1.102333      2.404206
  C      -2.738099      0.265136      2.345663
  C      -4.058726      0.693586      2.258551
  F      -4.309859      2.022827      2.265542
  C      -5.126913     -0.203168      2.154186
  C      -6.565694      0.180707      2.150372
  O      -7.426089     -0.514000      1.631810
  C      -7.005860      1.444811      2.917143
  O      -7.559220      2.377362      2.364818
  C      -6.721655      1.343486      4.400767
  O      -6.104020      0.418378      4.886149
  Cl     -7.317637      2.711922      5.348043
  C      -4.829217     -1.569984      2.168779
  C      -7.338856     -4.673113      3.604336
  C      -8.471265     -5.507916      3.689820
  C      -9.655903     -5.021139      4.241704
  C      -9.696327     -3.738193      4.783085
  F     -10.819901     -3.348100      5.425710
  C      -8.583389     -2.890598      4.748020
  C      -8.455691     -1.699879      5.667219
  O      -9.251209     -0.774587      5.729539
  C      -7.215794     -1.863750      6.554807
  O      -6.523308     -2.885211      6.459820
  C      -6.865015     -0.745885      7.499556
  O      -7.514838      0.190708      7.845848
  Cl     -5.137967     -0.974628      8.153261
  C      -7.461272     -3.361290      4.069406
  C      -3.326504     -5.499377      6.506381
  C      -2.151143     -5.363881      7.268787
  C      -2.220960     -5.103034      8.634669
  C      -3.467949     -4.990760      9.240187
  F      -3.514062     -4.691892     10.557492
  C      -4.658983     -5.169972      8.523670
  C      -6.006759     -5.100698      9.125598
  O      -7.046127     -5.173180      8.482851
  C      -6.200992     -5.095979     10.644789
  O      -6.027887     -6.105314     11.293448
  C      -6.792094     -3.794670     11.212745
  O      -7.003196     -2.814092     10.562140
  Cl     -7.043695     -3.873996     12.978873
  C      -4.562991     -5.425064      7.148262
  H      -1.446248     -1.452900      2.541388
  H      -1.939288      1.004582      2.404835
  H      -5.654821     -2.277204      2.079314
  H      -8.436388     -6.544066      3.353349
  H     -10.541851     -5.652710      4.311733
  H      -6.565830     -2.748721      4.013363
  H      -1.176244     -5.420307      6.782165
  H      -1.320811     -4.960845      9.232567
  H      -5.493239     -5.548281      6.591355
  N      -4.520672     -3.044754      4.968321
  H      -4.422002     -2.065796      5.270716
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.270017711362
  N      -3.285266     -3.425354      2.540336
  C      -2.719922     -4.085171      1.361119
  C      -2.416655     -5.525914      1.706990
  N      -3.558570     -6.087879      2.464553
  C      -4.730870     -6.389259      1.606737
  C      -6.005119     -6.349603      2.433912
  N      -6.047224     -5.114237      3.228647
  Mo     -4.294323     -4.428587      3.931635
  N      -3.287377     -5.672388      5.095524
  C      -2.470981     -6.761057      4.551104
  C      -3.147943     -7.255861      3.285264
  H      -2.406978     -7.582785      5.280883
  H      -1.438949     -6.421464      4.350097
  H      -4.057595     -7.805055      3.561892
  H      -2.498840     -7.930221      2.700853
  H      -6.866249     -6.376055      1.747884
  H      -6.086598     -7.237215      3.086656
  H      -4.787349     -5.611632      0.833468
  H      -4.606232     -7.365306      1.106823
  H      -1.799680     -3.569676      1.039040
  H      -3.432877     -4.010110      0.518916
  H      -1.539658     -5.563623      2.368062
  H      -2.199638     -6.128202      0.808622
  C      -3.518378     -2.029919      2.357724
  C      -2.463373     -1.105076      2.410812
  C      -2.734235      0.261970      2.357951
  C      -4.055412      0.688338      2.265769
  F      -4.307959      2.017204      2.275137
  C      -5.121604     -0.209576      2.151679
  C      -6.561423      0.172589      2.134172
  O      -7.412936     -0.517631      1.595463
  C      -7.008777      1.437047      2.895559
  O      -7.548250      2.371905      2.331795
  C      -6.748578      1.337577      4.381692
  O      -6.171824      0.394703      4.884842
  Cl     -7.348149      2.713995      5.315912
  C      -4.821112     -1.575778      2.162431
  C      -7.330457     -4.662028      3.614771
  C      -8.464195     -5.496529      3.693837
  C      -9.649706     -5.014172      4.247820
  C      -9.692693     -3.734132      4.795069
  F     -10.817350     -3.345633      5.436041
  C      -8.579981     -2.885889      4.763816
  C      -8.458825     -1.686270      5.670227
  O      -9.251250     -0.756269      5.709362
  C      -7.233985     -1.839095      6.577287
  O      -6.536353     -2.858909      6.518156
  C      -6.903895     -0.704865      7.517232
  O      -7.572472      0.219571      7.858616
  Cl     -5.174123     -0.897465      8.170533
  C      -7.454842     -3.353980      4.089042
  C      -3.318694     -5.509257      6.503876
  C      -2.140735     -5.381667      7.264071
  C      -2.207323     -5.122786      8.630370
  C      -3.452537     -5.005992      9.239212
  F      -3.493142     -4.709969     10.556962
  C      -4.645981     -5.179572      8.525564
  C      -5.994016     -5.113003      9.129227
  O      -7.032609     -5.196340      8.486252
  C      -6.187995     -5.099614     10.648046
  O      -6.000287     -6.102222     11.303948
  C      -6.793646     -3.802141     11.204761
  O      -7.007540     -2.826418     10.547322
  Cl     -7.068469     -3.877504     12.967931
  C      -4.553392     -5.430186      7.148924
  H      -1.439105     -1.453700      2.550627
  H      -1.937441      1.002999      2.424038
  H      -5.644032     -2.285008      2.064705
  H      -8.430027     -6.530428      3.350662
  H     -10.534485     -5.647859      4.313572
  H      -6.570309     -2.725980      4.030131
  H      -1.166865     -5.443041      6.776056
  H      -1.305405     -4.986516      9.227011
  H      -5.485344     -5.549004      6.593830
  N      -4.514626     -3.047843      4.961335
  H      -4.439834     -2.079842      5.303516
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.271887889037
  N      -3.284725     -3.431104      2.524189
  C      -2.715599     -4.092121      1.347851
  C      -2.413988     -5.532769      1.696449
  N      -3.555169     -6.090860      2.458421
  C      -4.730303     -6.390334      1.603844
  C      -6.002017     -6.346618      2.434423
  N      -6.041126     -5.111230      3.229307
  Mo     -4.285604     -4.427509      3.923475
  N      -3.285028     -5.673571      5.090003
  C      -2.468156     -6.762453      4.545105
  C      -3.145194     -7.258580      3.280137
  H      -2.403048     -7.583759      5.275329
  H      -1.436282     -6.422590      4.343766
  H      -4.054995     -7.807074      3.557820
  H      -2.496768     -7.934469      2.696823
  H      -6.864231     -6.372600      1.749643
  H      -6.084085     -7.234207      3.087274
  H      -4.786849     -5.614983      0.828272
  H      -4.610449     -7.368022      1.105928
  H      -1.793510     -3.577931      1.028714
  H      -3.424933     -4.016570      0.502578
  H      -1.534563     -5.571341      2.354299
  H      -2.200920     -6.137220      0.798566
  C      -3.516851     -2.035136      2.345183
  C      -2.464654     -1.107559      2.403459
  C      -2.739326      0.258878      2.358973
  C      -4.062162      0.682134      2.274840
  F      -4.317730      2.010167      2.297472
  C      -5.126187     -0.218038      2.159107
  C      -6.567473      0.159347      2.159845
  O      -7.421579     -0.529965      1.624156
  C      -7.008500      1.407846      2.949704
  O      -7.574495      2.342619      2.411062
  C      -6.700216      1.296935      4.424442
  O      -6.078747      0.366168      4.897621
  Cl     -7.240785      2.682145      5.382310
  C      -4.821468     -1.583088      2.155549
  C      -7.323258     -4.660831      3.620543
  C      -8.455303     -5.498874      3.695131
  C      -9.643105     -5.023577      4.249739
  C      -9.692774     -3.744619      4.798971
  F     -10.820258     -3.359548      5.436582
  C      -8.583865     -2.892266      4.769246
  C      -8.474403     -1.678756      5.657323
  O      -9.268266     -0.748636      5.668514
  C      -7.262617     -1.808444      6.582913
  O      -6.557089     -2.824562      6.563470
  C      -6.956033     -0.652313      7.507924
  O      -7.646703      0.258368      7.841255
  Cl     -5.220713     -0.795237      8.153879
  C      -7.452783     -3.355628      4.100530
  C      -3.314264     -5.511051      6.498289
  C      -2.134813     -5.387247      7.257413
  C      -2.199771     -5.127082      8.623303
  C      -3.443874     -5.005297      9.233672
  F      -3.480895     -4.707341     10.550745
  C      -4.638736     -5.176347      8.521915
  C      -5.987168     -5.109486      9.125738
  O      -7.024761     -5.203379      8.482234
  C      -6.183902     -5.080383     10.643558
  O      -5.982424     -6.071923     11.312770
  C      -6.801001     -3.781917     11.181793
  O      -7.032001     -2.820351     10.508951
  Cl     -7.131621     -3.855679     12.935472
  C      -4.547933     -5.427418      7.145054
  H      -1.439113     -1.453742      2.540229
  H      -1.944586      1.001765      2.428516
  H      -5.642558     -2.294433      2.057224
  H      -8.418167     -6.531191      3.347855
  H     -10.524644     -5.662050      4.312718
  H      -6.580281     -2.711367      4.038161
  H      -1.161477     -5.453080      6.768950
  H      -1.296988     -4.993633      9.219324
  H      -5.480768     -5.544263      6.590940
  N      -4.516615     -3.049184      4.946230
  H      -4.467623     -2.091396      5.320698
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.273760594278
  N      -3.279071     -3.434904      2.516271
  C      -2.705861     -4.095118      1.341184
  C      -2.409560     -5.538079      1.688307
  N      -3.551798     -6.091790      2.452978
  C      -4.731431     -6.383303      1.600928
  C      -6.000445     -6.335492      2.436321
  N      -6.032472     -5.102637      3.236697
  Mo     -4.272481     -4.427110      3.921275
  N      -3.282765     -5.682413      5.086868
  C      -2.467484     -6.772033      4.538347
  C      -3.145691     -7.263547      3.271807
  H      -2.403234     -7.595422      5.266278
  H      -1.435057     -6.433598      4.338274
  H      -4.057227     -7.809787      3.548074
  H      -2.499727     -7.940618      2.687363
  H      -6.864495     -6.355909      1.753686
  H      -6.085137     -7.225211      3.085850
  H      -4.786590     -5.607007      0.826251
  H      -4.618865     -7.360680      1.100880
  H      -1.780679     -3.583179      1.027447
  H      -3.410505     -4.015072      0.492578
  H      -1.528093     -5.581890      2.343066
  H      -2.201777     -6.142489      0.789250
  C      -3.509312     -2.037538      2.343210
  C      -2.460505     -1.107348      2.412552
  C      -2.738156      0.258581      2.373980
  C      -4.061364      0.679340      2.282916
  F      -4.319076      2.006834      2.306708
  C      -5.122622     -0.222645      2.156755
  C      -6.564950      0.153364      2.139960
  O      -7.409169     -0.531118      1.582810
  C      -7.014390      1.410421      2.911658
  O      -7.562503      2.343858      2.351635
  C      -6.741632      1.312146      4.393086
  O      -6.167608      0.366638      4.897187
  Cl     -7.276556      2.720711      5.320467
  C      -4.814575     -1.586861      2.149362
  C      -7.312571     -4.652438      3.637809
  C      -8.445110     -5.490952      3.705518
  C      -9.632844     -5.021516      4.264483
  C      -9.684283     -3.745883      4.821343
  F     -10.812660     -3.363975      5.459158
  C      -8.576993     -2.892903      4.795025
  C      -8.473655     -1.668221      5.667540
  O      -9.263830     -0.734571      5.651865
  C      -7.274831     -1.781423      6.609636
  O      -6.565292     -2.795072      6.621783
  C      -6.988891     -0.613288      7.526856
  O      -7.701114      0.279415      7.863677
  Cl     -5.252723     -0.720801      8.172127
  C      -7.442167     -3.351433      4.129121
  C      -3.310575     -5.524792      6.495892
  C      -2.129662     -5.411153      7.254696
  C      -2.192338     -5.155609      8.621272
  C      -3.435148     -5.028031      9.233273
  F      -3.468180     -4.733315     10.550865
  C      -4.631721     -5.189611      8.521931
  C      -5.980261     -5.120437      9.125640
  O      -7.016980     -5.217440      8.480842
  C      -6.180866     -5.087584     10.642505
  O      -5.976781     -6.075662     11.316390
  C      -6.807770     -3.790776     11.172018
  O      -7.006552     -2.820193     10.501315
  Cl     -7.135703     -3.854765     12.926304
  C      -4.543047     -5.435728      7.143985
  H      -1.434600     -1.451503      2.552200
  H      -1.945462      1.002865      2.451059
  H      -5.633131     -2.299791      2.041120
  H      -8.408456     -6.520204      3.349624
  H     -10.513060     -5.662206      4.323230
  H      -6.579096     -2.695461      4.065606
  H      -1.157063     -5.482220      6.765492
  H      -1.288536     -5.030091      9.217511
  H      -5.476809     -5.545660      6.589918
  N      -4.512702     -3.054060      4.946219
  H      -4.486544     -2.110468      5.356596
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.275186696062
  N      -3.272750     -3.438717      2.502664
  C      -2.695198     -4.099855      1.330418
  C      -2.404453     -5.544428      1.678762
  N      -3.547628     -6.092593      2.446598
  C      -4.731655     -6.376773      1.597688
  C      -5.998169     -6.323782      2.437235
  N      -6.022755     -5.092969      3.241873
  Mo     -4.259023     -4.424746      3.914666
  N      -3.280672     -5.687743      5.081166
  C      -2.466571     -6.778307      4.531439
  C      -3.145677     -7.266901      3.264026
  H      -2.403428     -7.602545      5.258454
  H      -1.433704     -6.441112      4.332310
  H      -4.059077     -7.810454      3.539237
  H      -2.501857     -7.945663      2.679368
  H      -6.864051     -6.338387      1.756838
  H      -6.085942     -7.214705      3.084578
  H      -4.784966     -5.599920      0.823501
  H      -4.626161     -7.354204      1.096366
  H      -1.767083     -3.590216      1.021736
  H      -3.395142     -4.017299      0.478338
  H      -1.521393     -5.592341      2.331049
  H      -2.201871     -6.150412      0.779640
  C      -3.502673     -2.040496      2.333831
  C      -2.457530     -1.107645      2.412833
  C      -2.739700      0.257648      2.382352
  C      -4.064262      0.674732      2.290435
  F      -4.325923      2.001179      2.321988
  C      -5.122144     -0.230197      2.154762
  C      -6.566653      0.139592      2.135194
  O      -7.405263     -0.548988      1.574720
  C      -7.026072      1.381653      2.925011
  O      -7.592490      2.312811      2.378944
  C      -6.729989      1.276665      4.400575
  O      -6.165861      0.320173      4.896114
  Cl     -7.291749      2.660729      5.350122
  C      -4.808903     -1.592684      2.138772
  C      -7.300960     -4.642998      3.653372
  C      -8.432828     -5.482927      3.715422
  C      -9.621018     -5.019457      4.278132
  C      -9.675018     -3.746190      4.840288
  F     -10.804802     -3.367466      5.477674
  C      -8.570055     -2.891506      4.815729
  C      -8.474652     -1.652494      5.668851
  O      -9.262131     -0.717295      5.622392
  C      -7.287353     -1.743449      6.626353
  O      -6.574019     -2.753443      6.670749
  C      -7.021476     -0.559837      7.529167
  O      -7.754373      0.317131      7.863925
  Cl     -5.279851     -0.618314      8.160127
  C      -7.431015     -3.345324      4.153490
  C      -3.308356     -5.532842      6.490607
  C      -2.126755     -5.429325      7.249878
  C      -2.188194     -5.176590      8.616913
  C      -3.430333     -5.041517      9.229058
  F      -3.461083     -4.749124     10.546962
  C      -4.627849     -5.193940      8.517004
  C      -5.976694     -5.119545      9.119436
  O      -7.012707     -5.218933      8.473555
  C      -6.182071     -5.077236     10.635066
  O      -5.975869     -6.058702     11.317891
  C      -6.817245     -3.779066     11.151350
  O      -7.001029     -2.808510     10.476104
  Cl     -7.179450     -3.840838     12.898690
  C      -4.540156     -5.437246      7.138557
  H      -1.430913     -1.449385      2.553736
  H      -1.949629      1.003881      2.466882
  H      -5.624915     -2.307703      2.024154
  H      -8.395342     -6.509574      3.352495
  H     -10.499548     -5.662699      4.333856
  H      -6.576579     -2.678384      4.088296
  H      -1.154602     -5.506586      6.760718
  H      -1.283925     -5.058863      9.214051
  H      -5.474325     -5.540467      6.583834
  N      -4.509543     -3.055670      4.941518
  H      -4.505769     -2.126528      5.383825
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.276462895039
  N      -3.268257     -3.442120      2.493303
  C      -2.686344     -4.101350      1.322395
  C      -2.399451     -5.547755      1.669253
  N      -3.542256     -6.093230      2.439907
  C      -4.731268     -6.369194      1.594645
  C      -5.994857     -6.314391      2.439255
  N      -6.012428     -5.087608      3.251178
  Mo     -4.245450     -4.425995      3.910859
  N      -3.277190     -5.698245      5.075579
  C      -2.463031     -6.787704      4.522542
  C      -3.142803     -7.271303      3.253233
  H      -2.400175     -7.614163      5.247018
  H      -1.430141     -6.450125      4.324718
  H      -4.057447     -7.813700      3.526426
  H      -2.500447     -7.949592      2.666521
  H      -6.863147     -6.321886      1.761877
  H      -6.084295     -7.208002      3.082599
  H      -4.783925     -5.589586      0.823233
  H      -4.632036     -7.345248      1.089479
  H      -1.756127     -3.592185      1.019383
  H      -3.382352     -4.015915      0.467469
  H      -1.514581     -5.599869      2.318750
  H      -2.202000     -6.153604      0.768915
  C      -3.499595     -2.042946      2.330724
  C      -2.458031     -1.107564      2.420915
  C      -2.743830      0.257188      2.398948
  C      -4.068868      0.671609      2.303532
  F      -4.333632      1.997234      2.339741
  C      -5.123970     -0.235254      2.158360
  C      -6.569724      0.131956      2.126861
  O      -7.399295     -0.552190      1.547758
  C      -7.036581      1.384128      2.896173
  O      -7.595577      2.308342      2.330248
  C      -6.765601      1.297545      4.376423
  O      -6.205109      0.350603      4.894416
  Cl     -7.271248      2.729877      5.286153
  C      -4.806709     -1.596683      2.135065
  C      -7.288832     -4.640193      3.676325
  C      -8.418658     -5.482971      3.733069
  C      -9.607079     -5.027792      4.302032
  C      -9.664128     -3.757949      4.871250
  F     -10.795087     -3.384747      5.510163
  C      -8.562526     -2.900054      4.848102
  C      -8.477048     -1.647397      5.682315
  O      -9.263453     -0.713126      5.605688
  C      -7.298243     -1.713307      6.651900
  O      -6.579510     -2.717673      6.725441
  C      -7.051417     -0.513843      7.537714
  O      -7.805737      0.344918      7.873201
  Cl     -5.305038     -0.520331      8.151590
  C      -7.419970     -3.346719      4.187335
  C      -3.305472     -5.548907      6.485915
  C      -2.123749     -5.456751      7.246412
  C      -2.184401     -5.209726      8.614502
  C      -3.426059     -5.068658      9.226520
  F      -3.455504     -4.781233     10.545328
  C      -4.624091     -5.210785      8.512946
  C      -5.972980     -5.130391      9.114323
  O      -7.009002     -5.229918      8.468204
  C      -6.182181     -5.078179     10.628897
  O      -5.974927     -6.052826     11.320862
  C      -6.820704     -3.776569     11.133602
  O      -6.989309     -2.806020     10.454594
  Cl     -7.219301     -3.837717     12.872764
  C      -4.536959     -5.448851      7.133531
  H      -1.430908     -1.447509      2.562807
  H      -1.955790      1.004654      2.491118
  H      -5.620941     -2.312620      2.012584
  H      -8.379341     -6.506401      3.361658
  H     -10.483261     -5.674407      4.355158
  H      -6.574037     -2.669350      4.121286
  H      -1.151881     -5.538538      6.757423
  H      -1.279931     -5.100657      9.212977
  H      -5.471311     -5.544437      6.577732
  N      -4.507389     -3.063013      4.945032
  H      -4.526943     -2.148940      5.417552
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.277552480338
  N      -3.260996     -3.444847      2.480968
  C      -2.674472     -4.103797      1.312874
  C      -2.392947     -5.551481      1.660103
  N      -3.536007     -6.092826      2.433330
  C      -4.730015     -6.359222      1.591964
  C      -5.990632     -6.301655      2.440901
  N      -6.000502     -5.079427      3.259990
  Mo     -4.229853     -4.424833      3.904761
  N      -3.273201     -5.706403      5.069051
  C      -2.459706     -6.795320      4.513761
  C      -3.140232     -7.274271      3.243190
  H      -2.397894     -7.623536      5.236320
  H      -1.426550     -6.458221      4.316741
  H      -4.056501     -7.814739      3.514699
  H      -2.499501     -7.952753      2.654939
  H      -6.860848     -6.301007      1.765955
  H      -6.082678     -7.197920      3.080244
  H      -4.781087     -5.576445      0.823681
  H      -4.637941     -7.333894      1.082800
  H      -1.741582     -3.596137      1.015583
  H      -3.365947     -4.016353      0.454456
  H      -1.506870     -5.607576      2.307657
  H      -2.200413     -6.158355      0.759355
  C      -3.495885     -2.045720      2.322122
  C      -2.458782     -1.106644      2.422342
  C      -2.750568      0.257007      2.407909
  C      -4.076998      0.666443      2.311375
  F      -4.347497      1.990596      2.355687
  C      -5.127996     -0.244010      2.158396
  C      -6.575614      0.117045      2.123779
  O      -7.399285     -0.570484      1.540095
  C      -7.051020      1.365207      2.894121
  O      -7.627925      2.279674      2.329599
  C      -6.763005      1.289708      4.370887
  O      -6.199191      0.346049      4.891718
  Cl     -7.277090      2.720817      5.279210
  C      -4.804552     -1.603711      2.126699
  C      -7.273858     -4.634257      3.699737
  C      -8.401754     -5.479583      3.752291
  C      -9.590074     -5.032018      4.327732
  C      -9.649706     -3.765110      4.902417
  F     -10.781392     -3.396149      5.542733
  C      -8.551290     -2.903822      4.879020
  C      -8.476976     -1.635938      5.690924
  O      -9.264824     -0.705634      5.584449
  C      -7.306315     -1.674409      6.671112
  O      -6.581880     -2.672096      6.773283
  C      -7.078887     -0.457520      7.537719
  O      -7.855272      0.380670      7.875722
  Cl     -5.332590     -0.417400      8.143390
  C      -7.405646     -3.344190      4.219568
  C      -3.303871     -5.562382      6.479873
  C      -2.123163     -5.483554      7.243302
  C      -2.185187     -5.242500      8.612455
  C      -3.427215     -5.093924      9.222275
  F      -3.456992     -4.810734     10.541745
  C      -4.624763     -5.223698      8.505040
  C      -5.975076     -5.133161      9.101559
  O      -7.009420     -5.228660      8.451924
  C      -6.193017     -5.071748     10.614307
  O      -5.995638     -6.042145     11.314897
  C      -6.825732     -3.761720     11.106077
  O      -6.961210     -2.787017     10.425533
  Cl     -7.266468     -3.819546     12.835002
  C      -4.535999     -5.456506      7.124914
  H      -1.430680     -1.443130      2.565318
  H      -1.965874      1.007061      2.507309
  H      -5.616357     -2.321817      1.999821
  H      -8.360813     -6.500168      3.373698
  H     -10.464067     -5.681671      4.379434
  H      -6.567105     -2.657626      4.152172
  H      -1.150886     -5.570789      6.756108
  H      -1.281407     -5.143246      9.213669
  H      -5.469540     -5.543253      6.566326
  N      -4.502544     -3.068902      4.946504
  H      -4.545597     -2.170529      5.447087
76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670605-omjA/orca E -7996.278428886906
  N      -3.248178     -3.445300      2.470531
  C      -2.658181     -4.104696      1.305014
  C      -2.385012     -5.554393      1.651991
  N      -3.529558     -6.090099      2.427399
  C      -4.729616     -6.342955      1.590282
  C      -5.986986     -6.281209      2.443822
  N      -5.986438     -5.064764      3.271703
  Mo     -4.210333     -4.421033      3.900011
  N      -3.267608     -5.714853      5.062936
  C      -2.457044     -6.804374      4.504632
  C      -3.139655     -7.276370      3.232591
  H      -2.397974     -7.634993      5.224638
  H      -1.422989     -6.469878      4.308158
  H      -4.058479     -7.813385      3.502243
  H      -2.501894     -7.955590      2.641991
  H      -6.859035     -6.269514      1.771304
  H      -6.083293     -7.180709      3.078027
  H      -4.777565     -5.555426      0.826712
  H      -4.647117     -7.315510      1.075480
  H      -1.721781     -3.600179      1.013442
  H      -3.344998     -4.014069      0.443177
  H      -1.498198     -5.616376      2.298046
  H      -2.198190     -6.162254      0.750682
  C      -3.489133     -2.046667      2.314628
  C      -2.458309     -1.102223      2.426900
  C      -2.759653      0.259548      2.419207
  C      -4.088284      0.660827      2.316745
  F      -4.367497      1.983037      2.365153
  C      -5.132499     -0.255430      2.150943
  C      -6.582507      0.095689      2.099016
  O      -7.392170     -0.598901      1.503811
  C      -7.081160      1.333098      2.871578
  O      -7.671301      2.239003      2.306245
  C      -6.802222      1.257936      4.349612
  O      -6.235863      0.318144      4.874939
  Cl     -7.332603      2.684890      5.256429
  C      -4.799542     -1.612493      2.114528
  C      -7.254725     -4.619764      3.728247
  C      -8.382419     -5.465211      3.778040
  C      -9.569067     -5.022704      4.361351
  C      -9.627961     -3.758672      4.941390
  F     -10.758516     -3.391636      5.584914
  C      -8.530617     -2.896264      4.917034
  C      -8.464333     -1.614933      5.708819
  O      -9.252860     -0.688383      5.576837
  C      -7.299309     -1.629833      6.695648
  O      -6.570520     -2.621556      6.818898
  C      -7.087420     -0.399036      7.546596
  O      -7.880554      0.425639      7.880048
  Cl     -5.338771     -0.310208      8.132195
  C      -7.384127     -3.332309      4.256654
  C      -3.302435     -5.578138      6.474310
  C      -2.124034     -5.516893      7.242753
  C      -2.189095     -5.284258      8.613326
  C      -3.431877     -5.127114      9.219469
  F      -3.463772     -4.853349     10.540733
  C      -4.627980     -5.240572      8.496817
  C      -5.979798     -5.139891      9.088224
  O      -7.012642     -5.229467      8.435192
  C      -6.205698     -5.072048     10.599495
  O      -6.018914     -6.039819     11.306239
  C      -6.835053     -3.755984     11.081204
  O      -6.940427     -2.777158     10.401436
  Cl     -7.319574     -3.814895     12.798202
  C      -4.536142     -5.465016      7.115393
  H      -1.429030     -1.432992      2.574384
  H      -1.980571      1.014155      2.528022
  H      -5.606814     -2.334559      1.980618
  H      -8.342344     -6.483086      3.392461
  H     -10.442302     -5.673379      4.412797
  H      -6.550100     -2.640406      4.187864
  H      -1.150746     -5.610622      6.758848
  H      -1.286714     -5.198407      9.218678
  H      -5.468187     -5.540259      6.552698
  N      -4.489062     -3.073972      4.952516
  H      -4.553500     -2.193394      5.480811
