75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.347142820386
  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
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.397537564122
  N      -3.584683     -3.564687      2.173260
  C      -2.648732     -4.057351      1.182190
  C      -2.218859     -5.438743      1.671487
  N      -3.308928     -5.991518      2.508899
  C      -4.440803     -6.437416      1.641612
  C      -5.737216     -6.481691      2.456521
  N      -5.726597     -5.299470      3.294572
  Mo     -4.116411     -4.367722      3.844015
  N      -3.333358     -5.688391      4.994140
  C      -2.285765     -6.619650      4.617675
  C      -2.787690     -7.154285      3.276670
  H      -2.188232     -7.431388      5.347958
  H      -1.312324     -6.115923      4.517214
  H      -3.604329     -7.859579      3.462781
  H      -1.998509     -7.665562      2.713100
  H      -6.598836     -6.483964      1.776486
  H      -5.796024     -7.384755      3.087049
  H      -4.567107     -5.726437      0.818422
  H      -4.210293     -7.421173      1.213717
  H      -1.772500     -3.404866      1.077620
  H      -3.143611     -4.097432      0.199377
  H      -1.322738     -5.351789      2.296243
  H      -2.004350     -6.109107      0.829120
  C      -4.024753     -2.244291      2.114481
  C      -3.153880     -1.148852      1.914184
  C      -3.604733      0.152413      2.002347
  C      -4.916968      0.397220      2.370938
  F      -5.319878      1.670321      2.525062
  C      -5.824588     -0.644532      2.555429
  C      -7.189667     -0.429620      3.099229
  O      -8.083827     -1.237989      2.949274
  C      -7.409115      0.834882      3.966855
  O      -8.340969      1.576269      3.743179
  C      -6.411909      1.114986      5.073898
  O      -5.411001      0.463222      5.346748
  Cl     -6.725548      2.641621      5.843058
  C      -5.388236     -1.965524      2.326247
  C      -6.863980     -4.816335      3.911987
  C      -8.164506     -5.339932      3.969747
  C      -9.126946     -4.692340      4.739311
  C      -8.822632     -3.550573      5.467567
  F      -9.767164     -3.001827      6.253718
  C      -7.537778     -2.988167      5.434958
  C      -7.117789     -1.755312      6.150766
  O      -7.844920     -0.744794      6.188307
  C      -5.732378     -1.728194      6.668990
  O      -4.840146     -2.641039      6.406106
  C      -5.355234     -0.590140      7.524333
  O      -6.038413      0.207577      8.096089
  Cl     -3.595262     -0.529005      7.716653
  C      -6.622574     -3.640754      4.625663
  C      -3.697460     -5.544603      6.331590
  C      -2.732557     -5.363876      7.346614
  C      -3.110142     -5.132510      8.655083
  C      -4.457077     -5.065747      8.976193
  F      -4.806938     -4.798404     10.247608
  C      -5.445608     -5.297600      8.015686
  C      -6.890212     -5.218066      8.302869
  O      -7.751088     -5.461881      7.480029
  C      -7.308096     -4.675899      9.681640
  O      -7.731595     -5.328079     10.597460
  C      -7.185964     -3.141027      9.693989
  O      -6.318509     -2.536977      9.116054
  Cl     -8.468195     -2.358449     10.554024
  C      -5.048150     -5.569934      6.695618
  H      -2.109780     -1.319442      1.676266
  H      -2.940897      0.990968      1.828375
  H      -6.146636     -2.744076      2.276488
  H      -8.431191     -6.244473      3.436199
  H     -10.135371     -5.083595      4.802983
  H      -5.588899     -3.187211      4.504843
  H      -1.676586     -5.404802      7.102252
  H      -2.373279     -4.981104      9.434895
  H      -5.826655     -5.845955      5.990201
  N      -4.771279     -2.771229      5.108740
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.432982121160
  N      -3.565717     -3.568380      2.142048
  C      -2.624540     -4.075670      1.158581
  C      -2.205113     -5.456845      1.653375
  N      -3.302505     -6.005930      2.490731
  C      -4.439350     -6.449485      1.623383
  C      -5.737201     -6.479286      2.437976
  N      -5.735992     -5.290950      3.274349
  Mo     -4.110940     -4.366606      3.823395
  N      -3.326914     -5.689796      4.988560
  C      -2.279679     -6.623183      4.606982
  C      -2.783771     -7.165934      3.268382
  H      -2.182262     -7.433448      5.342512
  H      -1.303410     -6.122414      4.501641
  H      -3.602884     -7.869357      3.458243
  H      -1.993909     -7.683070      2.704764
  H      -6.598123     -6.479403      1.752787
  H      -5.801446     -7.383648      3.070605
  H      -4.558430     -5.738697      0.797659
  H      -4.214271     -7.439152      1.196841
  H      -1.742020     -3.427230      1.055272
  H      -3.115004     -4.119129      0.171191
  H      -1.311199     -5.372343      2.284101
  H      -1.988060     -6.133716      0.812867
  C      -4.007061     -2.242306      2.079285
  C      -3.129142     -1.148936      1.882313
  C      -3.576159      0.156852      1.974910
  C      -4.891997      0.399768      2.347028
  F      -5.291003      1.677767      2.510160
  C      -5.804178     -0.641402      2.524119
  C      -7.169782     -0.440550      3.078840
  O      -8.065001     -1.252500      2.916028
  C      -7.398931      0.788079      3.999335
  O      -8.350237      1.517785      3.809905
  C      -6.386451      1.037914      5.114068
  O      -5.379290      0.390255      5.327482
  Cl     -6.718914      2.519523      5.986072
  C      -5.369403     -1.961676      2.286427
  C      -6.889317     -4.803034      3.884880
  C      -8.192869     -5.324823      3.940773
  C      -9.166671     -4.674167      4.708650
  C      -8.868700     -3.529218      5.439219
  F      -9.822412     -2.986105      6.224282
  C      -7.581587     -2.963242      5.409666
  C      -7.160495     -1.720870      6.140958
  O      -7.915782     -0.725558      6.184272
  C      -5.785093     -1.668674      6.685221
  O      -4.835346     -2.611241      6.403401
  C      -5.418377     -0.560726      7.566687
  O      -6.118116      0.219884      8.153158
  Cl     -3.634622     -0.497451      7.798215
  C      -6.673870     -3.626417      4.597669
  C      -3.692960     -5.540120      6.333192
  C      -2.718464     -5.348426      7.341232
  C      -3.077994     -5.109983      8.656444
  C      -4.421980     -5.047218      8.992188
  F      -4.752055     -4.773891     10.271687
  C      -5.424078     -5.287288      8.044929
  C      -6.868469     -5.208298      8.356071
  O      -7.744875     -5.464804      7.544520
  C      -7.303060     -4.661625      9.734834
  O      -7.726413     -5.335198     10.644182
  C      -7.209274     -3.118682      9.778085
  O      -6.340129     -2.493036      9.223387
  Cl     -8.517727     -2.369559     10.656129
  C      -5.041480     -5.567144      6.715938
  H      -2.080578     -1.325674      1.648222
  H      -2.906401      0.997988      1.806207
  H      -6.127689     -2.742685      2.239252
  H      -8.456490     -6.236152      3.405570
  H     -10.178157     -5.071725      4.769032
  H      -5.614140     -3.177664      4.472731
  H      -1.661306     -5.387300      7.082285
  H      -2.328019     -4.950918      9.428785
  H      -5.828170     -5.847312      6.017929
  N      -4.751403     -2.756129      5.088854
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.455720597033
  N      -3.540667     -3.566333      2.138225
  C      -2.600219     -4.086005      1.158597
  C      -2.198041     -5.473691      1.646230
  N      -3.302615     -6.020054      2.480327
  C      -4.450250     -6.446257      1.615417
  C      -5.747176     -6.459280      2.432738
  N      -5.747019     -5.272440      3.274843
  Mo     -4.098425     -4.371716      3.823819
  N      -3.317106     -5.709100      4.992711
  C      -2.277768     -6.646509      4.596259
  C      -2.790624     -7.184392      3.258617
  H      -2.182676     -7.460191      5.329970
  H      -1.297014     -6.154038      4.487264
  H      -3.615564     -7.881576      3.449421
  H      -2.006180     -7.707432      2.690072
  H      -6.608074     -6.447259      1.745573
  H      -5.821159     -7.368027      3.059852
  H      -4.559120     -5.728325      0.793793
  H      -4.239427     -7.437996      1.182705
  H      -1.709547     -3.446154      1.060033
  H      -3.087842     -4.122099      0.168290
  H      -1.305579     -5.402588      2.281971
  H      -1.983856     -6.150272      0.803224
  C      -3.976093     -2.231454      2.078427
  C      -3.083491     -1.148281      1.895447
  C      -3.524859      0.163212      1.988557
  C      -4.851593      0.412278      2.337826
  F      -5.247261      1.695384      2.487955
  C      -5.776049     -0.621668      2.497419
  C      -7.167527     -0.428987      3.001579
  O      -8.048066     -1.246668      2.789457
  C      -7.492141      0.799829      3.896952
  O      -8.446437      1.498421      3.627210
  C      -6.569694      1.081755      5.084445
  O      -5.579237      0.449015      5.367482
  Cl     -7.003268      2.561908      5.936666
  C      -5.337331     -1.939915      2.271199
  C      -6.913368     -4.779988      3.882987
  C      -8.221653     -5.293974      3.936491
  C      -9.194960     -4.638692      4.710286
  C      -8.891660     -3.497021      5.449588
  F      -9.846061     -2.958649      6.239832
  C      -7.598680     -2.939376      5.419802
  C      -7.141623     -1.702717      6.158280
  O      -7.891489     -0.703362      6.215034
  C      -5.777132     -1.655582      6.709037
  O      -4.801566     -2.624334      6.414366
  C      -5.383778     -0.582872      7.598365
  O      -6.068082      0.202773      8.197787
  Cl     -3.576757     -0.566603      7.851673
  C      -6.713766     -3.608827      4.601936
  C      -3.680730     -5.562300      6.343758
  C      -2.696315     -5.373612      7.343263
  C      -3.041968     -5.135293      8.664056
  C      -4.385402     -5.069360      9.007580
  F      -4.704673     -4.796415     10.291789
  C      -5.396050     -5.303536      8.068031
  C      -6.836849     -5.215191      8.391320
  O      -7.725244     -5.472622      7.590106
  C      -7.283135     -4.666613      9.765921
  O      -7.711945     -5.353709     10.663927
  C      -7.198274     -3.122264      9.833786
  O      -6.322328     -2.493677      9.300893
  Cl     -8.518656     -2.387611     10.727512
  C      -5.024832     -5.584126      6.736755
  H      -2.032113     -1.335713      1.673767
  H      -2.846523      1.001964      1.831329
  H      -6.097009     -2.720098      2.213749
  H      -8.491483     -6.204009      3.396162
  H     -10.209168     -5.034618      4.769161
  H      -5.632515     -3.177204      4.473700
  H      -1.640333     -5.414197      7.071550
  H      -2.283746     -4.978647      9.431276
  H      -5.817781     -5.855046      6.039997
  N      -4.708206     -2.767553      5.095531
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.474983789891
  N      -3.542654     -3.562524      2.124478
  C      -2.597769     -4.086682      1.151661
  C      -2.194451     -5.471948      1.641227
  N      -3.297970     -6.024809      2.475015
  C      -4.448695     -6.455358      1.615677
  C      -5.744000     -6.466010      2.435411
  N      -5.762474     -5.275984      3.274660
  Mo     -4.104773     -4.371061      3.818541
  N      -3.308569     -5.703976      4.999112
  C      -2.263766     -6.632446      4.594960
  C      -2.776758     -7.180772      3.261337
  H      -2.160055     -7.443381      5.331413
  H      -1.285880     -6.135044      4.480424
  H      -3.597518     -7.881928      3.457057
  H      -1.990547     -7.701768      2.692031
  H      -6.604314     -6.459347      1.746293
  H      -5.814430     -7.375413      3.062768
  H      -4.557653     -5.737708      0.793381
  H      -4.237774     -7.448154      1.184056
  H      -1.707715     -3.444818      1.054442
  H      -3.081792     -4.126990      0.159055
  H      -1.304772     -5.397865      2.281308
  H      -1.974055     -6.150452      0.800826
  C      -3.984545     -2.225972      2.059641
  C      -3.088621     -1.145863      1.874039
  C      -3.521706      0.168236      1.968163
  C      -4.843425      0.416775      2.333505
  F      -5.233580      1.700460      2.500829
  C      -5.767305     -0.612902      2.506563
  C      -7.135149     -0.407639      3.060342
  O      -8.033108     -1.214632      2.888904
  C      -7.411351      0.823064      3.972697
  O      -8.381212      1.513499      3.750598
  C      -6.411591      1.117167      5.101069
  O      -5.395469      0.500572      5.301325
  Cl     -6.805111      2.603351      5.981919
  C      -5.341491     -1.932881      2.264854
  C      -6.948740     -4.797252      3.872824
  C      -8.251024     -5.329879      3.925112
  C      -9.236206     -4.685948      4.696653
  C      -8.951371     -3.537382      5.435194
  F      -9.917460     -3.016180      6.223647
  C      -7.664472     -2.963383      5.402128
  C      -7.203624     -1.724361      6.133473
  O      -7.975324     -0.743433      6.196528
  C      -5.848758     -1.647907      6.680595
  O      -4.828563     -2.617477      6.392686
  C      -5.458456     -0.581814      7.555464
  O      -6.142163      0.202055      8.154473
  Cl     -3.629741     -0.551305      7.811802
  C      -6.784425     -3.624382      4.589439
  C      -3.673500     -5.556528      6.354002
  C      -2.684671     -5.351691      7.345093
  C      -3.025085     -5.109109      8.667619
  C      -4.370175     -5.054380      9.012792
  F      -4.689240     -4.776625     10.296737
  C      -5.381725     -5.301953      8.078719
  C      -6.819703     -5.219020      8.406043
  O      -7.712798     -5.493013      7.615450
  C      -7.284377     -4.661800      9.769261
  O      -7.711487     -5.355153     10.661285
  C      -7.223221     -3.116004      9.841376
  O      -6.348282     -2.483184      9.322662
  Cl     -8.562805     -2.398649     10.737771
  C      -5.013209     -5.587901      6.750833
  H      -2.038521     -1.340203      1.648674
  H      -2.840643      1.004932      1.807948
  H      -6.102999     -2.713425      2.227089
  H      -8.508268     -6.246661      3.386749
  H     -10.244069     -5.099506      4.755030
  H      -5.692178     -3.193877      4.457677
  H      -1.629678     -5.381880      7.064640
  H      -2.264888     -4.939850      9.430975
  H      -5.805655     -5.864156      6.054105
  N      -4.715299     -2.778091      5.078823
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.492519173457
  N      -3.530696     -3.554699      2.124505
  C      -2.586432     -4.086878      1.156530
  C      -2.192955     -5.475785      1.642274
  N      -3.298898     -6.030130      2.472804
  C      -4.458230     -6.450443      1.620342
  C      -5.751843     -6.450290      2.443018
  N      -5.776277     -5.259987      3.282278
  Mo     -4.099709     -4.369443      3.820604
  N      -3.299835     -5.705189      5.008164
  C      -2.259143     -6.632960      4.593027
  C      -2.778304     -7.183537      3.263203
  H      -2.152543     -7.444095      5.329182
  H      -1.280027     -6.139024      4.473891
  H      -3.601394     -7.880990      3.462722
  H      -1.996137     -7.708726      2.691991
  H      -6.611498     -6.440540      1.752677
  H      -5.827245     -7.360933      3.068009
  H      -4.560913     -5.728985      0.800334
  H      -4.258191     -7.444246      1.186082
  H      -1.692485     -3.449844      1.062000
  H      -3.067320     -4.123930      0.161998
  H      -1.305543     -5.409018      2.286617
  H      -1.971539     -6.153720      0.801748
  C      -3.970272     -2.214284      2.052920
  C      -3.066406     -1.140743      1.874139
  C      -3.494093      0.176051      1.965771
  C      -4.818474      0.429028      2.318135
  F      -5.205717      1.714728      2.478606
  C      -5.749661     -0.595021      2.484330
  C      -7.124854     -0.386024      3.018415
  O      -8.022092     -1.189168      2.829032
  C      -7.430108      0.845608      3.923298
  O      -8.401300      1.523883      3.678757
  C      -6.452984      1.148438      5.071780
  O      -5.438104      0.537451      5.283527
  Cl     -6.887469      2.624578      5.961456
  C      -5.325729     -1.915881      2.249890
  C      -6.977226     -4.788141      3.870605
  C      -8.277834     -5.327109      3.920612
  C      -9.264153     -4.683678      4.693738
  C      -8.986358     -3.533095      5.435531
  F      -9.956944     -3.022014      6.224529
  C      -7.700339     -2.954717      5.401638
  C      -7.215617     -1.721318      6.129290
  O      -7.984396     -0.738502      6.211947
  C      -5.863896     -1.653017      6.670445
  O      -4.829241     -2.635527      6.374465
  C      -5.454254     -0.607215      7.552580
  O      -6.118105      0.186352      8.160120
  Cl     -3.608391     -0.610929      7.819037
  C      -6.829745     -3.616384      4.587360
  C      -3.661183     -5.562942      6.367102
  C      -2.666736     -5.354872      7.351134
  C      -3.001311     -5.115083      8.676373
  C      -4.346205     -5.065857      9.025832
  F      -4.662194     -4.792034     10.311309
  C      -5.361664     -5.312720      8.095926
  C      -6.796739     -5.230072      8.429282
  O      -7.695295     -5.511722      7.647080
  C      -7.270856     -4.677839      9.789973
  O      -7.696831     -5.383029     10.672833
  C      -7.222490     -3.132386      9.878426
  O      -6.345773     -2.491760      9.375964
  Cl     -8.567981     -2.434580     10.792442
  C      -4.998099     -5.596276      6.767398
  H      -2.015545     -1.342282      1.659134
  H      -2.808052      1.009755      1.812156
  H      -6.087912     -2.696492      2.217357
  H      -8.534861     -6.245113      3.383433
  H     -10.269401     -5.103347      4.752531
  H      -5.736040     -3.206429      4.454171
  H      -1.613774     -5.379055      7.062701
  H      -2.238554     -4.943563      9.436454
  H      -5.792137     -5.865128      6.068985
  N      -4.694301     -2.804711      5.067008
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.509621157476
  N      -3.522422     -3.544564      2.129472
  C      -2.578902     -4.082304      1.165102
  C      -2.192435     -5.474281      1.646937
  N      -3.299423     -6.030785      2.474347
  C      -4.466454     -6.441378      1.628876
  C      -5.759272     -6.432302      2.453423
  N      -5.790125     -5.241827      3.293065
  Mo     -4.095156     -4.365852      3.825583
  N      -3.292068     -5.702346      5.019599
  C      -2.254490     -6.628820      4.594659
  C      -2.778767     -7.181370      3.268076
  H      -2.144625     -7.440436      5.329953
  H      -1.274615     -6.137324      4.472007
  H      -3.603532     -7.875884      3.471054
  H      -2.000027     -7.709941      2.695461
  H      -6.617426     -6.420582      1.761048
  H      -5.839470     -7.343973      3.076105
  H      -4.563733     -5.716561      0.810987
  H      -4.276444     -7.435848      1.192303
  H      -1.682393     -3.448665      1.072445
  H      -3.057257     -4.116864      0.169124
  H      -1.306767     -5.413483      2.294419
  H      -1.969790     -6.150873      0.805870
  C      -3.960512     -2.202073      2.049337
  C      -3.053355     -1.132124      1.874780
  C      -3.480400      0.185525      1.963678
  C      -4.806144      0.439107      2.305748
  F      -5.194846      1.724813      2.460434
  C      -5.740304     -0.583455      2.467311
  C      -7.120750     -0.375050      2.985395
  O      -8.016288     -1.176373      2.782700
  C      -7.445711      0.857945      3.883655
  O      -8.416152      1.530327      3.626346
  C      -6.482441      1.160925      5.044801
  O      -5.467779      0.550289      5.259917
  Cl     -6.938595      2.628862      5.941564
  C      -5.315242     -1.903963      2.239764
  C      -7.003748     -4.778800      3.869713
  C      -8.302233     -5.324168      3.916676
  C      -9.286883     -4.678358      4.690874
  C      -9.015541     -3.525618      5.435340
  F      -9.989966     -3.022628      6.223195
  C      -7.730696     -2.943315      5.402235
  C      -7.220401     -1.717324      6.122784
  O      -7.977326     -0.726108      6.223418
  C      -5.865249     -1.665648      6.651870
  O      -4.827623     -2.660166      6.346412
  C      -5.432988     -0.635912      7.540813
  O      -6.071005      0.168676      8.159265
  Cl     -3.572656     -0.676351      7.807047
  C      -6.866689     -3.607079      4.585674
  C      -3.649002     -5.567210      6.381578
  C      -2.651365     -5.356969      7.360862
  C      -2.984386     -5.120960      8.687641
  C      -4.329184     -5.077054      9.039242
  F      -4.645035     -4.807886     10.325096
  C      -5.346631     -5.323264      8.110985
  C      -6.780204     -5.242266      8.445638
  O      -7.680227     -5.530798      7.667537
  C      -7.263118     -4.692118      9.802674
  O      -7.688194     -5.403597     10.680361
  C      -7.225673     -3.147255      9.897757
  O      -6.349945     -2.499994      9.403321
  Cl     -8.576801     -2.463400     10.819646
  C      -4.984519     -5.603397      6.782265
  H      -2.001614     -1.336628      1.668636
  H      -2.792906      1.018503      1.814975
  H      -6.075729     -2.686607      2.213622
  H      -8.561258     -6.242857      3.382308
  H     -10.290290     -5.101750      4.750443
  H      -5.781757     -3.225243      4.451507
  H      -1.599950     -5.374664      7.067800
  H      -2.221280     -4.947569      9.446460
  H      -5.778280     -5.865280      6.080714
  N      -4.670385     -2.845010      5.049224
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.526252675278
  N      -3.517677     -3.532723      2.138855
  C      -2.574661     -4.074271      1.176682
  C      -2.192420     -5.468853      1.654360
  N      -3.299588     -6.028268      2.478701
  C      -4.472785     -6.430266      1.639003
  C      -5.765568     -6.415012      2.464130
  N      -5.803595     -5.224614      3.304946
  Mo     -4.091884     -4.361405      3.833079
  N      -3.286314     -5.697621      5.032611
  C      -2.250867     -6.622875      4.599251
  C      -2.778703     -7.176552      3.274917
  H      -2.137910     -7.435316      5.333207
  H      -1.270551     -6.132941      4.474404
  H      -3.604750     -7.868809      3.480449
  H      -2.002544     -7.707789      2.701488
  H      -6.621602     -6.402558      1.769088
  H      -5.849675     -7.327637      3.084585
  H      -4.565782     -5.702461      0.823159
  H      -4.291024     -7.424981      1.200168
  H      -1.676583     -3.442804      1.085489
  H      -3.051086     -4.106559      0.179667
  H      -1.307983     -5.412706      2.304034
  H      -1.968165     -6.143283      0.812191
  C      -3.953650     -2.188796      2.048488
  C      -3.045053     -1.121529      1.876205
  C      -3.473474      0.196763      1.961354
  C      -4.800494      0.450839      2.294015
  F      -5.191770      1.736252      2.442245
  C      -5.736321     -0.571914      2.452593
  C      -7.121783     -0.366795      2.956905
  O      -8.014158     -1.168885      2.743629
  C      -7.462856      0.866108      3.850102
  O      -8.433604      1.534815      3.587486
  C      -6.507255      1.165607      5.017657
  O      -5.491339      0.554464      5.229087
  Cl     -6.976001      2.621218      5.926916
  C      -5.308443     -1.891536      2.232890
  C      -7.027882     -4.771367      3.869921
  C      -8.323943     -5.322896      3.912955
  C      -9.305411     -4.673567      4.688780
  C      -9.038935     -3.519353      5.435983
  F     -10.016306     -3.022417      6.222538
  C      -7.755557     -2.933677      5.404439
  C      -7.219272     -1.715558      6.115768
  O      -7.958815     -0.713027      6.234570
  C      -5.856262     -1.683954      6.627970
  O      -4.824278     -2.688137      6.314858
  C      -5.401296     -0.666063      7.520005
  O      -6.012502      0.150456      8.147332
  Cl     -3.530069     -0.742393      7.780240
  C      -6.895934     -3.599228      4.585163
  C      -3.638508     -5.571104      6.396676
  C      -2.639872     -5.360484      7.373791
  C      -2.974528     -5.129252      8.701358
  C      -4.319405     -5.089587      9.053019
  F      -4.637402     -4.825102     10.338641
  C      -5.337108     -5.334030      8.123997
  C      -6.770315     -5.253549      8.456282
  O      -7.669604     -5.546920      7.678961
  C      -7.258838     -4.704071      9.810247
  O      -7.684849     -5.417259     10.685913
  C      -7.224913     -3.159960      9.905822
  O      -6.348250     -2.510438      9.415436
  Cl     -8.575675     -2.480714     10.833010
  C      -4.973862     -5.610030      6.795364
  H      -1.992340     -1.327274      1.678080
  H      -2.785545      1.029592      1.816125
  H      -6.066568     -2.676451      2.213676
  H      -8.586042     -6.241622      3.381501
  H     -10.307862     -5.098628      4.749565
  H      -5.826246     -3.249025      4.450709
  H      -1.589277     -5.371902      7.079073
  H      -2.212646     -4.955001      9.460766
  H      -5.766226     -5.864346      6.089476
  N      -4.644589     -2.895552      5.028910
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.541353983534
  N      -3.516018     -3.518796      2.150916
  C      -2.573571     -4.063332      1.189402
  C      -2.193391     -5.460399      1.662524
  N      -3.299799     -6.024136      2.484247
  C      -4.478220     -6.418912      1.649673
  C      -5.770869     -6.400531      2.475339
  N      -5.816900     -5.210481      3.317860
  Mo     -4.089772     -4.356592      3.842185
  N      -3.281464     -5.692141      5.046443
  C      -2.247656     -6.616534      4.605008
  C      -2.778238     -7.170634      3.282218
  H      -2.131368     -7.430105      5.337211
  H      -1.267177     -6.127418      4.478594
  H      -3.605302     -7.861105      3.489822
  H      -2.004133     -7.704168      2.708242
  H      -6.624904     -6.389088      1.777772
  H      -5.857009     -7.314082      3.093889
  H      -4.568599     -5.688512      0.835779
  H      -4.303163     -7.413550      1.208391
  H      -1.674388     -3.433417      1.099210
  H      -3.048872     -4.093108      0.191793
  H      -1.309548     -5.407761      2.313401
  H      -1.967220     -6.131814      0.818541
  C      -3.949368     -2.173974      2.048742
  C      -3.040863     -1.108258      1.876655
  C      -3.471138      0.210684      1.956744
  C      -4.799043      0.465227      2.281095
  F      -5.193428      1.750396      2.422619
  C      -5.735309     -0.558507      2.438761
  C      -7.124085     -0.355249      2.932787
  O      -8.015354     -1.157367      2.713600
  C      -7.470970      0.878424      3.822136
  O      -8.441233      1.548195      3.561339
  C      -6.513987      1.169335      4.989522
  O      -5.497641      0.554365      5.188861
  Cl     -6.979371      2.613502      5.914532
  C      -5.304748     -1.877659      2.227824
  C      -7.050490     -4.768104      3.872509
  C      -8.343172     -5.327124      3.911792
  C      -9.321946     -4.675585      4.689915
  C      -9.059919     -3.520274      5.439158
  F     -10.040037     -3.028247      6.224683
  C      -7.778973     -2.930136      5.408774
  C      -7.220277     -1.717952      6.109211
  O      -7.943236     -0.706019      6.242648
  C      -5.846804     -1.701983      6.601078
  O      -4.822718     -2.711595      6.285045
  C      -5.374449     -0.690254      7.491774
  O      -5.963965      0.137141      8.123551
  Cl     -3.495061     -0.791937      7.743957
  C      -6.921487     -3.595334      4.587086
  C      -3.628272     -5.575718      6.412273
  C      -2.630192     -5.366087      7.389197
  C      -2.968248     -5.140688      8.717281
  C      -4.313419     -5.104983      9.067663
  F      -4.634648     -4.845849     10.353210
  C      -5.330156     -5.346983      8.136298
  C      -6.763992     -5.267041      8.463892
  O      -7.660985     -5.564785      7.685261
  C      -7.256299     -4.716296      9.814911
  O      -7.683368     -5.427466     10.691746
  C      -7.223339     -3.172564      9.905039
  O      -6.347092     -2.523649      9.412484
  Cl     -8.571352     -2.491569     10.833722
  C      -4.964153     -5.617770      6.807848
  H      -1.987026     -1.314070      1.685894
  H      -2.783081      1.043528      1.813574
  H      -6.060321     -2.664915      2.217422
  H      -8.607246     -6.246037      3.383093
  H     -10.323591     -5.102196      4.752633
  H      -5.869804     -3.275785      4.452756
  H      -1.579792     -5.370862      7.094717
  H      -2.208441     -4.966265      9.478495
  H      -5.754573     -5.863792      6.096927
  N      -4.618813     -2.950831      5.009765
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.553534780103
  N      -3.514318     -3.502434      2.164626
  C      -2.573526     -4.051274      1.202427
  C      -2.195484     -5.451587      1.670118
  N      -3.300732     -6.020705      2.489335
  C      -4.484277     -6.407746      1.659603
  C      -5.776026     -6.388304      2.486703
  N      -5.829863     -5.199142      3.331455
  Mo     -4.087168     -4.352234      3.852047
  N      -3.276639     -5.688427      5.060412
  C      -2.245870     -6.613640      4.609931
  C      -2.779559     -7.166540      3.288194
  H      -2.126620     -7.429004      5.339714
  H      -1.264829     -6.126011      4.482176
  H      -3.608502     -7.854353      3.497426
  H      -2.007949     -7.703293      2.713761
  H      -6.628642     -6.379059      1.787244
  H      -5.862627     -7.302961      3.103451
  H      -4.572949     -5.674616      0.847895
  H      -4.316040     -7.402054      1.215025
  H      -1.672418     -3.424024      1.112854
  H      -3.048501     -4.077251      0.204601
  H      -1.311627     -5.402810      2.321408
  H      -1.967686     -6.118958      0.823293
  C      -3.943233     -2.156620      2.048983
  C      -3.035044     -1.092322      1.874943
  C      -3.466543      0.227667      1.947801
  C      -4.795461      0.483786      2.263581
  F      -5.192446      1.769355      2.396465
  C      -5.731970     -0.540499      2.422842
  C      -7.123502     -0.337292      2.908097
  O      -8.014357     -1.139637      2.686403
  C      -7.472123      0.897689      3.793977
  O      -8.442730      1.568686      3.537829
  C      -6.510997      1.181299      4.958979
  O      -5.493459      0.564499      5.143496
  Cl     -6.970886      2.613013      5.900777
  C      -5.299270     -1.859843      2.223100
  C      -7.072165     -4.768370      3.877619
  C      -8.360212     -5.336902      3.913719
  C      -9.338135     -4.686032      4.694741
  C      -9.081349     -3.529778      5.445338
  F     -10.064779     -3.042341      6.229747
  C      -7.804108     -2.932900      5.415589
  C      -7.229360     -1.722432      6.104312
  O      -7.940641     -0.705333      6.247458
  C      -5.844503     -1.713181      6.573952
  O      -4.826341     -2.723872      6.262321
  C      -5.362619     -0.701941      7.460057
  O      -5.938976      0.134644      8.090855
  Cl     -3.477116     -0.815595      7.707347
  C      -6.946511     -3.594938      4.592065
  C      -3.616668     -5.584213      6.428366
  C      -2.619831     -5.378158      7.406474
  C      -2.961487     -5.159941      8.735270
  C      -4.307031     -5.127192      9.083855
  F      -4.631401     -4.874185     10.369894
  C      -5.322426     -5.364676      8.149379
  C      -6.757394     -5.283890      8.471474
  O      -7.651712     -5.584542      7.690577
  C      -7.251796     -4.730440      9.819978
  O      -7.680534     -5.437275     10.699595
  C      -7.216706     -3.186704      9.901947
  O      -6.341065     -2.541374      9.403362
  Cl     -8.558569     -2.498916     10.832352
  C      -4.953352     -5.628661      6.820824
  H      -1.979963     -1.298209      1.691602
  H      -2.777795      1.060000      1.805316
  H      -6.052479     -2.649192      2.224469
  H      -8.623788     -6.256605      3.387374
  H     -10.338541     -5.115413      4.759750
  H      -5.911929     -3.301271      4.458876
  H      -1.569256     -5.376302      7.113069
  H      -2.203796     -4.986786      9.498853
  H      -5.742131     -5.863699      6.104444
  N      -4.594518     -3.004325      4.997765
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.562427249953
  N      -3.508750     -3.483289      2.179660
  C      -2.572741     -4.040182      1.215233
  C      -2.199531     -5.445231      1.676430
  N      -3.303846     -6.019586      2.492936
  C      -4.493121     -6.395913      1.668023
  C      -5.782281     -6.376360      2.498457
  N      -5.841496     -5.188621      3.345674
  Mo     -4.082010     -4.348506      3.861868
  N      -3.270918     -5.687784      5.073673
  C      -2.247379     -6.617677      4.612206
  C      -2.786477     -7.166677      3.291665
  H      -2.126461     -7.435676      5.338829
  H      -1.264426     -6.134348      4.482462
  H      -3.619771     -7.848840      3.502466
  H      -2.019418     -7.709577      2.716703
  H      -6.634673     -6.369878      1.798496
  H      -5.868180     -7.292301      3.113468
  H      -4.580150     -5.659223      0.859275
  H      -4.333723     -7.389529      1.218458
  H      -1.667404     -3.418970      1.125311
  H      -3.048647     -4.060059      0.217771
  H      -1.314962     -5.402452      2.327305
  H      -1.971390     -6.107498      0.825519
  C      -3.930280     -2.136142      2.048935
  C      -3.021699     -1.073986      1.870700
  C      -3.453746      0.247341      1.933376
  C      -4.784355      0.506610      2.238273
  F      -5.183226      1.793271      2.358417
  C      -5.721626     -0.517044      2.401419
  C      -7.117185     -0.312307      2.874704
  O      -8.006577     -1.115866      2.650612
  C      -7.470860      0.924612      3.754926
  O      -8.442859      1.593856      3.499845
  C      -6.511797      1.206076      4.922024
  O      -5.491685      0.592348      5.097631
  Cl     -6.977939      2.622509      5.878495
  C      -5.286796     -1.837170      2.217828
  C      -7.091946     -4.769228      3.885318
  C      -8.374014     -5.349460      3.919170
  C      -9.353526     -4.702727      4.703096
  C      -9.103745     -3.545191      5.454152
  F     -10.091614     -3.062274      6.236403
  C      -7.831550     -2.938717      5.424791
  C      -7.249786     -1.724239      6.101393
  O      -7.956412     -0.706758      6.248568
  C      -5.854038     -1.711536      6.549260
  O      -4.838740     -2.720356      6.252388
  C      -5.371942     -0.696592      7.431060
  O      -5.945105      0.147066      8.055194
  Cl     -3.482965     -0.810282      7.682204
  C      -6.971309     -3.594854      4.600249
  C      -3.601716     -5.598356      6.444608
  C      -2.605730     -5.399955      7.424388
  C      -2.949591     -5.190865      8.754539
  C      -4.295238     -5.159741      9.102284
  F      -4.621177     -4.914886     10.389831
  C      -5.310081     -5.388953      8.164893
  C      -6.746221     -5.306004      8.482584
  O      -7.638340     -5.607879      7.699562
  C      -7.241077     -4.750913      9.830111
  O      -7.670833     -5.453765     10.712378
  C      -7.203119     -3.207009      9.905427
  O      -6.330233     -2.565481      9.397090
  Cl     -8.535474     -2.512313     10.841959
  C      -4.939113     -5.643157      6.835305
  H      -1.965245     -1.280527      1.696011
  H      -2.763511      1.078404      1.790633
  H      -6.037657     -2.628449      2.235113
  H      -8.633875     -6.270905      3.395003
  H     -10.351842     -5.136849      4.770311
  H      -5.949551     -3.318311      4.470193
  H      -1.554982     -5.391887      7.131778
  H      -2.193126     -5.021468      9.520227
  H      -5.727506     -5.862226      6.113536
  N      -4.574537     -3.046872      5.000871
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.569152012903
  N      -3.497979     -3.462753      2.194952
  C      -2.570693     -4.031601      1.226830
  C      -2.205600     -5.442097      1.681448
  N      -3.309757     -6.020299      2.494904
  C      -4.504764     -6.383169      1.674086
  C      -5.789502     -6.364542      2.509580
  N      -5.850502     -5.178367      3.358943
  Mo     -4.074189     -4.345377      3.870388
  N      -3.264309     -5.689213      5.085150
  C      -2.252750     -6.628034      4.611498
  C      -2.800222     -7.170521      3.292787
  H      -2.131823     -7.449146      5.334679
  H      -1.266376     -6.152383      4.478465
  H      -3.640586     -7.843497      3.505423
  H      -2.040284     -7.722835      2.717066
  H      -6.643100     -6.361197      1.810795
  H      -5.873505     -7.281855      3.123061
  H      -4.590099     -5.641823      0.869332
  H      -4.355594     -7.375481      1.217656
  H      -1.658704     -3.420193      1.134927
  H      -3.049061     -4.043704      0.230467
  H      -1.319841     -5.407425      2.331310
  H      -1.978564     -6.098866      0.825747
  C      -3.910185     -2.114484      2.048887
  C      -3.000725     -1.055038      1.864461
  C      -3.433590      0.267370      1.914787
  C      -4.766485      0.530182      2.207304
  F      -5.167113      1.818075      2.311585
  C      -5.704569     -0.492104      2.376366
  C      -7.105502     -0.285191      2.833606
  O      -7.991989     -1.091170      2.606479
  C      -7.469719      0.955155      3.703723
  O      -8.443206      1.619616      3.442398
  C      -6.521551      1.241085      4.879220
  O      -5.498511      0.634178      5.056696
  Cl     -7.008492      2.641253      5.844553
  C      -5.266969     -1.813018      2.213053
  C      -7.107989     -4.768766      3.893756
  C      -8.383381     -5.361665      3.926217
  C      -9.366902     -4.721459      4.711872
  C      -9.125631     -3.562050      5.462395
  F     -10.118787     -3.083441      6.241374
  C      -7.858989     -2.944579      5.433762
  C      -7.278666     -1.721853      6.099633
  O      -7.987038     -0.708082      6.247087
  C      -5.873382     -1.698654      6.529325
  O      -4.858640     -2.704550      6.256604
  C      -5.399136     -0.678585      7.409938
  O      -5.977636      0.169650      8.023374
  Cl     -3.510088     -0.785163      7.674997
  C      -6.994123     -3.593001      4.609015
  C      -3.584114     -5.615750      6.459635
  C      -2.588076     -5.428703      7.440842
  C      -2.932216     -5.230060      8.772993
  C      -4.277563     -5.199101      9.121518
  F      -4.603027     -4.963977     10.411422
  C      -5.293123     -5.416402      8.181999
  C      -6.730254     -5.330515      8.497248
  O      -7.621008     -5.631448      7.712461
  C      -7.224462     -4.777206      9.846099
  O      -7.654138     -5.478975     10.729114
  C      -7.184569     -3.233166      9.920076
  O      -6.316786     -2.593272      9.400887
  Cl     -8.503360     -2.535785     10.871531
  C      -4.921962     -5.658209      6.850472
  H      -1.942801     -1.262380      1.699332
  H      -2.741806      1.097020      1.771004
  H      -6.014900     -2.606409      2.249875
  H      -8.636605     -6.285856      3.404248
  H     -10.362452     -5.161861      4.780622
  H      -5.979192     -3.322824      4.484425
  H      -1.537285     -5.415528      7.148298
  H      -2.175672     -5.066845      9.540031
  H      -5.711421     -5.856858      6.124047
  N      -4.561262     -3.072804      5.020813
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.577462938548
  N      -3.484110     -3.441503      2.209806
  C      -2.567403     -4.024578      1.236812
  C      -2.211927     -5.440557      1.684808
  N      -3.317062     -6.021864      2.495040
  C      -4.517346     -6.371587      1.676374
  C      -5.797379     -6.354943      2.517655
  N      -5.857837     -5.169589      3.369808
  Mo     -4.065741     -4.342562      3.878110
  N      -3.257733     -5.691625      5.096146
  C      -2.259999     -6.641894      4.609635
  C      -2.817020     -7.176303      3.292322
  H      -2.140281     -7.466431      5.329206
  H      -1.269475     -6.175605      4.472770
  H      -3.665563     -7.838586      3.506497
  H      -2.065295     -7.739023      2.715553
  H      -6.653060     -6.354725      1.821050
  H      -5.878625     -7.273899      3.129483
  H      -4.601170     -5.624862      0.876349
  H      -4.377434     -7.361918      1.211931
  H      -1.647629     -3.424930      1.141713
  H      -3.049240     -4.028498      0.242049
  H      -1.324943     -5.414874      2.333573
  H      -1.986599     -6.091672      0.824027
  C      -3.886340     -2.091737      2.048057
  C      -2.975523     -1.035561      1.856036
  C      -3.409321      0.287690      1.892991
  C      -4.744369      0.554321      2.173722
  F      -5.146028      1.843484      2.261371
  C      -5.683625     -0.465815      2.349873
  C      -7.090258     -0.256440      2.789178
  O      -7.973018     -1.065473      2.558415
  C      -7.469509      0.987807      3.646339
  O      -8.442976      1.646620      3.371618
  C      -6.539884      1.282038      4.836025
  O      -5.515571      0.682207      5.025716
  Cl     -7.056759      2.667980      5.802742
  C      -5.243265     -1.787267      2.208003
  C      -7.121782     -4.768238      3.900812
  C      -8.390758     -5.373162      3.931859
  C      -9.380147     -4.740313      4.717572
  C      -9.148304     -3.578942      5.467632
  F     -10.147054     -3.105298      6.243266
  C      -7.886848     -2.950823      5.440890
  C      -7.311674     -1.719436      6.099405
  O      -8.024814     -0.711669      6.247782
  C      -5.897740     -1.683605      6.513905
  O      -4.881229     -2.685812      6.268386
  C      -5.434530     -0.658603      7.395260
  O      -6.022339      0.192041      7.997427
  Cl     -3.547072     -0.753372      7.675951
  C      -7.016779     -3.590730      4.616041
  C      -3.565949     -5.634993      6.475131
  C      -2.568782     -5.461699      7.456960
  C      -2.911162     -5.273883      8.791673
  C      -4.255711     -5.241165      9.142742
  F      -4.578623     -5.015631     10.435426
  C      -5.273428     -5.444490      8.202435
  C      -6.711163     -5.354181      8.517366
  O      -7.601830     -5.651473      7.731334
  C      -7.204132     -4.803044      9.868210
  O      -7.633229     -5.505420     10.750874
  C      -7.163162     -3.258781      9.944114
  O      -6.302753     -2.618996      9.412508
  Cl     -8.466617     -2.561555     10.915306
  C      -4.903853     -5.673384      6.868497
  H      -1.916272     -1.244041      1.700274
  H      -2.716030      1.115854      1.747182
  H      -5.988107     -2.582433      2.264988
  H      -8.635604     -6.300605      3.411825
  H     -10.372689     -5.187663      4.786530
  H      -6.004429     -3.318472      4.498805
  H      -1.518113     -5.445060      7.163541
  H      -2.153081     -5.118627      9.558992
  H      -5.695581     -5.850124      6.138904
  N      -4.554169     -3.087574      5.050347
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.581461662890
  N      -3.470313     -3.421511      2.224790
  C      -2.563894     -4.017800      1.248215
  C      -2.218658     -5.438456      1.690921
  N      -3.325485     -6.022062      2.496478
  C      -4.530182     -6.356971      1.679677
  C      -5.804978     -6.344000      2.526538
  N      -5.864725     -5.160458      3.381055
  Mo     -4.057044     -4.340456      3.884859
  N      -3.251162     -5.693373      5.106128
  C      -2.268060     -6.654358      4.607371
  C      -2.836089     -7.180789      3.292740
  H      -2.149043     -7.481922      5.323658
  H      -1.273678     -6.197444      4.465459
  H      -3.693180     -7.831269      3.509446
  H      -2.093726     -7.754778      2.714633
  H      -6.662836     -6.347078      1.832275
  H      -5.882822     -7.264849      3.136385
  H      -4.612450     -5.603834      0.885439
  H      -4.399554     -7.344553      1.205951
  H      -1.636534     -3.429841      1.150721
  H      -3.048127     -4.013940      0.254623
  H      -1.331247     -5.421395      2.339519
  H      -1.994003     -6.084396      0.825764
  C      -3.863041     -2.071387      2.049005
  C      -2.952003     -1.017481      1.849949
  C      -3.388242      0.305943      1.874133
  C      -4.725685      0.574608      2.143122
  F      -5.129910      1.864311      2.214089
  C      -5.664764     -0.444551      2.326688
  C      -7.077120     -0.235013      2.748285
  O      -7.955060     -1.048240      2.513973
  C      -7.472913      1.013964      3.589889
  O      -8.448565      1.663862      3.302437
  C      -6.560069      1.321927      4.790353
  O      -5.531833      0.733383      4.990646
  Cl     -7.109663      2.692010      5.757608
  C      -5.220245     -1.765633      2.205828
  C      -7.133993     -4.766591      3.908814
  C      -8.396815     -5.382379      3.938775
  C      -9.390694     -4.755768      4.725485
  C      -9.166351     -3.592462      5.474799
  F     -10.169503     -3.122342      6.247654
  C      -7.909566     -2.954898      5.448630
  C      -7.336844     -1.714877      6.098163
  O      -8.053095     -0.712135      6.248289
  C      -5.913367     -1.668575      6.496352
  O      -4.897989     -2.668027      6.277809
  C      -5.459564     -0.639183      7.378489
  O      -6.055240      0.214820      7.969096
  Cl     -3.574964     -0.727104      7.676790
  C      -7.035711     -3.587509      4.623409
  C      -3.548583     -5.651966      6.488332
  C      -2.551333     -5.491223      7.471419
  C      -2.893445     -5.313818      8.808117
  C      -4.237533     -5.280290      9.160469
  F      -4.559299     -5.064602     10.455523
  C      -5.256310     -5.470304      8.218502
  C      -6.695024     -5.377031      8.531799
  O      -7.584560     -5.672210      7.743991
  C      -7.187751     -4.831470      9.885629
  O      -7.616965     -5.536181     10.766198
  C      -7.145184     -3.287127      9.966543
  O      -6.289972     -2.646584      9.426993
  Cl     -8.432788     -2.591814     10.958330
  C      -4.886883     -5.686330      6.882715
  H      -1.891272     -1.225647      1.703321
  H      -2.694472      1.133490      1.726506
  H      -5.960936     -2.562950      2.283651
  H      -8.634500     -6.312600      3.420627
  H     -10.380637     -5.208871      4.795566
  H      -6.026091     -3.313880      4.512853
  H      -1.500515     -5.470650      7.178245
  H      -2.134732     -5.165766      9.576360
  H      -5.679833     -5.841516      6.149602
  N      -4.545640     -3.103381      5.078461
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.584349071158
  N      -3.455235     -3.407806      2.235069
  C      -2.567218     -4.017886      1.248119
  C      -2.221925     -5.437722      1.693185
  N      -3.329391     -6.019332      2.498377
  C      -4.533549     -6.351061      1.679410
  C      -5.805052     -6.343748      2.528984
  N      -5.865502     -5.156536      3.379206
  Mo     -4.055088     -4.336055      3.888227
  N      -3.248740     -5.684545      5.116819
  C      -2.277898     -6.658314      4.613284
  C      -2.849786     -7.180002      3.298279
  H      -2.165007     -7.486854      5.329295
  H      -1.279185     -6.211493      4.469781
  H      -3.713806     -7.820945      3.515686
  H      -2.113557     -7.763075      2.721478
  H      -6.665275     -6.353923      1.837789
  H      -5.875819     -7.262906      3.142121
  H      -4.617596     -5.591914      0.891140
  H      -4.401809     -7.334964      1.198420
  H      -1.637171     -3.437171      1.133961
  H      -3.065559     -4.016113      0.261580
  H      -1.334377     -5.420350      2.341592
  H      -1.997366     -6.084547      0.828671
  C      -3.849940     -2.060014      2.045637
  C      -2.939264     -1.008335      1.835115
  C      -3.376396      0.314890      1.844085
  C      -4.713637      0.585703      2.109108
  F      -5.118309      1.875875      2.167283
  C      -5.652383     -0.431545      2.304002
  C      -7.065921     -0.215894      2.715138
  O      -7.943418     -1.031749      2.488657
  C      -7.462224      1.039368      3.546390
  O      -8.427765      1.697023      3.243783
  C      -6.566669      1.338326      4.763090
  O      -5.544872      0.743331      4.976617
  Cl     -7.132728      2.698477      5.734854
  C      -5.207100     -1.753932      2.201704
  C      -7.137533     -4.761280      3.898319
  C      -8.398617     -5.380934      3.927803
  C      -9.399682     -4.750743      4.701612
  C      -9.182365     -3.583149      5.445296
  F     -10.189831     -3.113479      6.212672
  C      -7.925494     -2.945674      5.426037
  C      -7.355343     -1.708746      6.081721
  O      -8.073783     -0.710662      6.245946
  C      -5.932326     -1.668433      6.483566
  O      -4.922315     -2.677297      6.280324
  C      -5.481866     -0.647306      7.377285
  O      -6.077600      0.210318      7.962514
  Cl     -3.598666     -0.738354      7.684104
  C      -7.046184     -3.574756      4.603625
  C      -3.542803     -5.646323      6.501181
  C      -2.540344     -5.498128      7.480256
  C      -2.876144     -5.327074      8.819552
  C      -4.218566     -5.291296      9.178249
  F      -4.533933     -5.084973     10.476340
  C      -5.242546     -5.469390      8.239425
  C      -6.679765     -5.383005      8.561132
  O      -7.572731     -5.666601      7.773146
  C      -7.168089     -4.871976      9.929829
  O      -7.580544     -5.601251     10.798085
  C      -7.146996     -3.329345     10.043442
  O      -6.328044     -2.663121      9.479548
  Cl     -8.400130     -2.677620     11.106797
  C      -4.879787     -5.672978      6.900281
  H      -1.878145     -1.217590      1.693553
  H      -2.682788      1.141184      1.689273
  H      -5.945395     -2.551500      2.297652
  H      -8.629692     -6.317390      3.418067
  H     -10.388726     -5.206078      4.768646
  H      -6.033433     -3.299091      4.502469
  H      -1.490668     -5.482148      7.182884
  H      -2.113348     -5.188343      9.585383
  H      -5.676281     -5.816362      6.168590
  N      -4.547812     -3.110945      5.090413
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.586938714242
  N      -3.440855     -3.394445      2.247033
  C      -2.572309     -4.017036      1.248838
  C      -2.225830     -5.436003      1.695546
  N      -3.333927     -6.017160      2.499588
  C      -4.537042     -6.346875      1.678109
  C      -5.805497     -6.345370      2.530052
  N      -5.866349     -5.154922      3.376479
  Mo     -4.054244     -4.333610      3.891868
  N      -3.246016     -5.677590      5.126414
  C      -2.286332     -6.661986      4.617772
  C      -2.861931     -7.179168      3.302594
  H      -2.178364     -7.491734      5.333069
  H      -1.284112     -6.223481      4.472767
  H      -3.731535     -7.812259      3.520678
  H      -2.130919     -7.769715      2.726730
  H      -6.668159     -6.362168      1.842135
  H      -5.869495     -7.262887      3.146289
  H      -4.623258     -5.581825      0.895797
  H      -4.403256     -7.327010      1.189894
  H      -1.640397     -3.442867      1.117099
  H      -3.085851     -4.017227      0.270165
  H      -1.338552     -5.417575      2.344399
  H      -2.000098     -6.082942      0.831336
  C      -3.837349     -2.048598      2.046634
  C      -2.926688     -0.999280      1.826305
  C      -3.365096      0.323842      1.826101
  C      -4.702645      0.595689      2.090092
  F      -5.107775      1.886114      2.142551
  C      -5.641158     -0.420737      2.291566
  C      -7.056548     -0.204620      2.693969
  O      -7.933520     -1.020669      2.465877
  C      -7.459776      1.059393      3.506297
  O      -8.414534      1.722718      3.182893
  C      -6.579723      1.358137      4.734770
  O      -5.558681      0.765526      4.954939
  Cl     -7.152987      2.722193      5.696548
  C      -5.194223     -1.742770      2.202584
  C      -7.140513     -4.758298      3.887911
  C      -8.399576     -5.382105      3.916333
  C      -9.407195     -4.750880      4.680120
  C      -9.196746     -3.579659      5.419436
  F     -10.208842     -3.110545      6.181006
  C      -7.940970     -2.940012      5.405000
  C      -7.375289     -1.705189      6.068817
  O      -8.092276     -0.706907      6.232986
  C      -5.952094     -1.668620      6.472479
  O      -4.948620     -2.688386      6.284080
  C      -5.500830     -0.650706      7.369876
  O      -6.095539      0.207549      7.955643
  Cl     -3.624028     -0.768310      7.707329
  C      -7.056195     -3.564548      4.583875
  C      -3.536835     -5.644152      6.512596
  C      -2.529984     -5.508497      7.488555
  C      -2.860542     -5.344358      8.830279
  C      -4.201546     -5.304684      9.193958
  F      -4.511615     -5.104210     10.494338
  C      -5.229867     -5.470867      8.257475
  C      -6.665795     -5.384995      8.584888
  O      -7.562159     -5.648144      7.793556
  C      -7.149642     -4.899973      9.964395
  O      -7.551136     -5.647441     10.822233
  C      -7.142991     -3.359148     10.102381
  O      -6.356782     -2.674145      9.515124
  Cl     -8.341618     -2.742540     11.246847
  C      -4.872532     -5.664469      6.915738
  H      -1.865245     -1.209429      1.688373
  H      -2.671861      1.149646      1.666812
  H      -5.929973     -2.540764      2.312890
  H      -8.623741     -6.324174      3.413822
  H     -10.395024     -5.209276      4.744489
  H      -6.042249     -3.285436      4.491947
  H      -1.481272     -5.495860      7.187650
  H      -2.094320     -5.214199      9.594216
  H      -5.672038     -5.795183      6.184877
  N      -4.552340     -3.119747      5.102849
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.589313051776
  N      -3.426357     -3.382462      2.259843
  C      -2.577399     -4.016908      1.251032
  C      -2.230659     -5.435078      1.699045
  N      -3.339983     -6.015772      2.501264
  C      -4.542059     -6.343570      1.677547
  C      -5.807520     -6.346612      2.531784
  N      -5.867748     -5.153278      3.374603
  Mo     -4.053913     -4.332176      3.895946
  N      -3.243329     -5.671882      5.135360
  C      -2.294257     -6.665464      4.621546
  C      -2.874384     -7.178728      3.306979
  H      -2.190251     -7.496314      5.336141
  H      -1.289075     -6.234335      4.474419
  H      -3.748760     -7.804767      3.526364
  H      -2.148429     -7.776041      2.731571
  H      -6.672708     -6.368888      1.847296
  H      -5.865802     -7.262487      3.150973
  H      -4.630141     -5.573097      0.900750
  H      -4.406505     -7.320248      1.182705
  H      -1.643820     -3.449380      1.102101
  H      -3.105824     -4.018605      0.280323
  H      -1.344164     -5.415786      2.349091
  H      -2.003193     -6.082012      0.835141
  C      -3.823779     -2.038186      2.049097
  C      -2.912459     -0.991422      1.820064
  C      -3.350678      0.331894      1.809062
  C      -4.688512      0.606189      2.069223
  F      -5.093121      1.897266      2.112756
  C      -5.627940     -0.408191      2.276772
  C      -7.045532     -0.188062      2.667961
  O      -7.921238     -1.006666      2.443527
  C      -7.454504      1.082651      3.466305
  O      -8.401067      1.749109      3.125972
  C      -6.591033      1.382164      4.707319
  O      -5.572685      0.790316      4.940091
  Cl     -7.192770      2.728685      5.676640
  C      -5.180595     -1.731025      2.202301
  C      -7.143367     -4.754612      3.879138
  C      -8.400603     -5.382154      3.906971
  C      -9.413601     -4.751142      4.663221
  C      -9.208848     -3.576829      5.398689
  F     -10.224535     -3.108312      6.155853
  C      -7.954767     -2.934073      5.386030
  C      -7.393275     -1.701422      6.057308
  O      -8.109706     -0.703731      6.224067
  C      -5.970779     -1.669168      6.463893
  O      -4.974092     -2.700851      6.288762
  C      -5.517742     -0.654309      7.363514
  O      -6.106641      0.220744      7.930360
  Cl     -3.640220     -0.773822      7.700473
  C      -7.065453     -3.554083      4.565346
  C      -3.530672     -5.643200      6.523237
  C      -2.519422     -5.519500      7.495989
  C      -2.844495     -5.362241      8.840124
  C      -4.183972     -5.318591      9.208843
  F      -4.488595     -5.123138     10.511446
  C      -5.216650     -5.473344      8.274993
  C      -6.651064     -5.385796      8.608318
  O      -7.551496     -5.630631      7.815494
  C      -7.129836     -4.931849      9.999881
  O      -7.515244     -5.700723     10.846125
  C      -7.141327     -3.393599     10.166355
  O      -6.409715     -2.683688      9.539676
  Cl     -8.299001     -2.816763     11.372698
  C      -4.864897     -5.658163      6.930750
  H      -1.850743     -1.203339      1.686530
  H      -2.656869      1.156406      1.645021
  H      -5.915273     -2.528303      2.323939
  H      -8.618360     -6.329431      3.411245
  H     -10.400039     -5.212919      4.726160
  H      -6.050432     -3.270834      4.481825
  H      -1.471734     -5.509598      7.191291
  H      -2.074785     -5.240101      9.601988
  H      -5.667447     -5.776721      6.201038
  N      -4.556962     -3.128582      5.115450
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.591512464013
  N      -3.412370     -3.370759      2.272992
  C      -2.581856     -4.015927      1.254585
  C      -2.234880     -5.433205      1.703878
  N      -3.346017     -6.013984      2.503095
  C      -4.545972     -6.341034      1.676216
  C      -5.809559     -6.348255      2.531268
  N      -5.869643     -5.152228      3.370579
  Mo     -4.055371     -4.330676      3.899490
  N      -3.242698     -5.665782      5.143637
  C      -2.302796     -6.667422      4.625837
  C      -2.886123     -7.177480      3.311645
  H      -2.202476     -7.499163      5.339845
  H      -1.295104     -6.242596      4.477303
  H      -3.764499     -7.797604      3.531744
  H      -2.164101     -7.780546      2.737273
  H      -6.676477     -6.375659      1.849357
  H      -5.863219     -7.262360      3.153339
  H      -4.635428     -5.566054      0.904063
  H      -4.407721     -7.314576      1.175949
  H      -1.647115     -3.454610      1.089477
  H      -3.124103     -4.018972      0.291585
  H      -1.349963     -5.412589      2.356116
  H      -2.004383     -6.079814      0.840475
  C      -3.810158     -2.028170      2.051617
  C      -2.898176     -0.983597      1.815523
  C      -3.335983      0.339672      1.792214
  C      -4.674268      0.616499      2.045734
  F      -5.078553      1.908031      2.078133
  C      -5.614815     -0.395704      2.258058
  C      -7.034675     -0.170199      2.636049
  O      -7.909255     -0.991294      2.416117
  C      -7.446530      1.104836      3.425627
  O      -8.383125      1.777616      3.070950
  C      -6.603475      1.396297      4.683425
  O      -5.587419      0.804997      4.927164
  Cl     -7.227894      2.729161      5.656844
  C      -5.167364     -1.719614      2.198750
  C      -7.146578     -4.751725      3.867510
  C      -8.401631     -5.383608      3.894275
  C      -9.419965     -4.754016      4.643475
  C      -9.221240     -3.576869      5.375350
  F     -10.240156     -3.109968      6.129066
  C      -7.969760     -2.929685      5.363513
  C      -7.414025     -1.699473      6.042751
  O      -8.132483     -0.705473      6.218840
  C      -5.992679     -1.672034      6.453695
  O      -5.004276     -2.715159      6.291413
  C      -5.539978     -0.662848      7.359376
  O      -6.126251      0.217965      7.920011
  Cl     -3.667339     -0.800420      7.717306
  C      -7.075158     -3.544323      4.543501
  C      -3.526790     -5.641115      6.532853
  C      -2.511422     -5.529494      7.502496
  C      -2.831412     -5.377601      8.848593
  C      -4.169385     -5.327703      9.221650
  F      -4.469045     -5.134774     10.525912
  C      -5.206032     -5.470776      8.290203
  C      -6.638641     -5.376661      8.628374
  O      -7.543427     -5.600823      7.834333
  C      -7.110136     -4.955501     10.032170
  O      -7.487534     -5.744818     10.862901
  C      -7.135226     -3.420500     10.227374
  O      -6.436107     -2.690004      9.587256
  Cl     -8.215123     -2.885658     11.522036
  C      -4.859595     -5.649362      6.944073
  H      -1.836076     -1.197072      1.687984
  H      -2.641414      1.162677      1.623981
  H      -5.901766     -2.515753      2.328636
  H      -8.612364     -6.335957      3.405359
  H     -10.404564     -5.219798      4.705292
  H      -6.060204     -3.255823      4.468745
  H      -1.464752     -5.523504      7.194415
  H      -2.058560     -5.263550      9.608498
  H      -5.664930     -5.755894      6.215548
  N      -4.565267     -3.137714      5.126240
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.593570340786
  N      -3.399610     -3.359685      2.285487
  C      -2.588092     -4.015260      1.257536
  C      -2.240616     -5.431413      1.708199
  N      -3.353180     -6.012321      2.505017
  C      -4.551223     -6.339380      1.675838
  C      -5.812761     -6.349788      2.532007
  N      -5.872210     -5.150875      3.367361
  Mo     -4.057500     -4.329043      3.902698
  N      -3.241579     -5.658959      5.151262
  C      -2.310262     -6.667675      4.629360
  C      -2.897593     -7.175703      3.316422
  H      -2.212371     -7.499891      5.343090
  H      -1.300597     -6.248346      4.478396
  H      -3.779193     -7.790573      3.538252
  H      -2.179494     -7.784126      2.742731
  H      -6.681554     -6.382111      1.852882
  H      -5.862157     -7.261876      3.157258
  H      -4.642251     -5.560767      0.907510
  H      -4.410444     -7.310284      1.171166
  H      -1.652686     -3.460045      1.075719
  H      -3.144473     -4.019819      0.302671
  H      -1.357126     -5.409077      2.362392
  H      -2.007196     -6.077915      0.845443
  C      -3.797264     -2.018641      2.054721
  C      -2.884113     -0.976688      1.812136
  C      -3.321292      0.346623      1.778454
  C      -4.660100      0.625753      2.026720
  F      -5.063794      1.917718      2.050567
  C      -5.601847     -0.384480      2.242945
  C      -7.023540     -0.155585      2.609976
  O      -7.898036     -0.976878      2.390268
  C      -7.439334      1.125977      3.385535
  O      -8.362991      1.806251      3.012216
  C      -6.615320      1.412871      4.657675
  O      -5.601068      0.823113      4.910533
  Cl     -7.250168      2.746695      5.622675
  C      -5.154483     -1.708779      2.196598
  C      -7.150099     -4.748172      3.857389
  C      -8.402802     -5.384711      3.884558
  C      -9.425913     -4.756659      4.627528
  C      -9.232736     -3.576335      5.355151
  F     -10.253980     -3.111481      6.106896
  C      -7.984090     -2.924342      5.342405
  C      -7.433795     -1.696146      6.029359
  O      -8.154284     -0.705755      6.213823
  C      -6.013248     -1.672432      6.442974
  O      -5.033777     -2.727957      6.292668
  C      -5.559219     -0.668498      7.353246
  O      -6.143131      0.213887      7.914065
  Cl     -3.693911     -0.833394      7.740273
  C      -7.085025     -3.533622      4.522236
  C      -3.521529     -5.637894      6.541841
  C      -2.501685     -5.537249      7.507764
  C      -2.815894     -5.391034      8.855997
  C      -4.152178     -5.336889      9.234307
  F      -4.446221     -5.148086     10.540613
  C      -5.193151     -5.469715      8.306071
  C      -6.623825     -5.372170      8.650467
  O      -7.533064     -5.572896      7.855148
  C      -7.088479     -4.984067     10.065580
  O      -7.451977     -5.794154     10.882223
  C      -7.125280     -3.453149     10.290964
  O      -6.486229     -2.698917      9.616526
  Cl     -8.156906     -2.956537     11.639415
  C      -4.852606     -5.641032      6.957735
  H      -1.821757     -1.191972      1.689950
  H      -2.625903      1.168217      1.606790
  H      -5.888761     -2.503736      2.333886
  H      -8.606661     -6.342312      3.403064
  H     -10.408414     -5.226783      4.689487
  H      -6.070286     -3.238970      4.455067
  H      -1.456241     -5.534250      7.195640
  H      -2.039587     -5.284468      9.613438
  H      -5.660976     -5.737217      6.231103
  N      -4.573713     -3.145704      5.135593
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.595543677327
  N      -3.387882     -3.349153      2.299201
  C      -2.595210     -4.013997      1.261621
  C      -2.246804     -5.429074      1.712940
  N      -3.360674     -6.010878      2.507089
  C      -4.556345     -6.338719      1.675388
  C      -5.816290     -6.352181      2.532114
  N      -5.875271     -5.150617      3.363796
  Mo     -4.060922     -4.328316      3.906316
  N      -3.241231     -5.653113      5.158478
  C      -2.317291     -6.667632      4.632577
  C      -2.908288     -7.174007      3.320902
  H      -2.221001     -7.500353      5.345890
  H      -1.306132     -6.252704      4.479247
  H      -3.792369     -7.784656      3.544410
  H      -2.193501     -7.786862      2.747704
  H      -6.686642     -6.389055      1.855392
  H      -5.861952     -7.262345      3.160338
  H      -4.648960     -5.557092      0.910294
  H      -4.412542     -7.307251      1.167005
  H      -1.659660     -3.464472      1.063384
  H      -3.165573     -4.019641      0.315066
  H      -1.364849     -5.404831      2.369210
  H      -2.010071     -6.075027      0.850605
  C      -3.784737     -2.009316      2.060543
  C      -2.869781     -0.970261      1.812959
  C      -3.305826      0.353289      1.770477
  C      -4.645294      0.634891      2.013558
  F      -5.047843      1.927402      2.031171
  C      -5.588680     -0.373414      2.232021
  C      -7.012056     -0.141949      2.589076
  O      -7.886668     -0.963131      2.369069
  C      -7.432220      1.147529      3.347276
  O      -8.342745      1.834254      2.954317
  C      -6.623693      1.435252      4.629779
  O      -5.614330      0.843347      4.894763
  Cl     -7.274363      2.763263      5.591728
  C      -5.141832     -1.697861      2.196981
  C      -7.153897     -4.745859      3.847121
  C      -8.403936     -5.387646      3.875023
  C      -9.431982     -4.761846      4.612046
  C      -9.244591     -3.578492      5.335596
  F     -10.267999     -3.116365      6.086019
  C      -7.999060     -2.921323      5.321955
  C      -7.455106     -1.695410      6.017984
  O      -8.176110     -0.706530      6.205185
  C      -6.035145     -1.674705      6.433334
  O      -5.065320     -2.742458      6.294030
  C      -5.578892     -0.674211      7.345836
  O      -6.156384      0.221240      7.892741
  Cl     -3.715176     -0.848715      7.739317
  C      -7.095295     -3.524259      4.500822
  C      -3.516907     -5.635892      6.550242
  C      -2.492897     -5.545553      7.512614
  C      -2.801659     -5.404550      8.862811
  C      -4.136311     -5.346527      9.246147
  F      -4.424990     -5.161515     10.554387
  C      -5.181313     -5.470496      8.321116
  C      -6.610230     -5.370183      8.671338
  O      -7.523367     -5.547451      7.874770
  C      -7.068344     -5.010425     10.095652
  O      -7.423056     -5.837681     10.898720
  C      -7.121364     -3.483102     10.343208
  O      -6.526988     -2.709210      9.650423
  Cl     -8.083384     -3.023550     11.754939
  C      -4.846284     -5.634927      6.970738
  H      -1.807214     -1.187642      1.696181
  H      -2.609227      1.173435      1.596713
  H      -5.876518     -2.491419      2.339777
  H      -8.600518     -6.350385      3.400808
  H     -10.412204     -5.236678      4.674241
  H      -6.081346     -3.222014      4.440896
  H      -1.448619     -5.545019      7.196652
  H      -2.022109     -5.304751      9.617848
  H      -5.657504     -5.721991      6.246114
  N      -4.584083     -3.154799      5.144925
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.597456010948
  N      -3.376528     -3.339405      2.312860
  C      -2.602514     -4.013089      1.266234
  C      -2.253984     -5.427217      1.717873
  N      -3.369370     -6.009633      2.509263
  C      -4.562663     -6.338600      1.675401
  C      -5.821114     -6.353992      2.532667
  N      -5.878978     -5.149755      3.360481
  Mo     -4.065189     -4.327589      3.909647
  N      -3.241368     -5.647224      5.164771
  C      -2.324244     -6.666785      4.635127
  C      -2.919506     -7.172223      3.325355
  H      -2.228787     -7.499721      5.348262
  H      -1.311945     -6.255701      4.478808
  H      -3.805625     -7.779010      3.551197
  H      -2.208066     -7.789269      2.752401
  H      -6.693012     -6.394812      1.858341
  H      -5.863761     -7.262104      3.163950
  H      -4.656673     -5.554819      0.912663
  H      -4.416122     -7.305314      1.164338
  H      -1.666933     -3.469416      1.052127
  H      -3.186365     -4.019288      0.327958
  H      -1.373708     -5.401404      2.376404
  H      -2.014024     -6.072652      0.855980
  C      -3.771451     -2.000402      2.066390
  C      -2.853612     -0.964738      1.815267
  C      -3.286751      0.359324      1.761693
  C      -4.626855      0.645056      1.995549
  F      -5.026974      1.938459      2.002980
  C      -5.573439     -0.359903      2.215125
  C      -6.999070     -0.122075      2.557425
  O      -7.873014     -0.945439      2.342549
  C      -7.421867      1.172393      3.305179
  O      -8.323400      1.863147      2.899148
  C      -6.635280      1.453644      4.603606
  O      -5.627935      0.863786      4.880075
  Cl     -7.312132      2.765749      5.568912
  C      -5.128619     -1.685644      2.194067
  C      -7.157800     -4.742522      3.837578
  C      -8.405004     -5.389862      3.867414
  C      -9.437339     -4.767134      4.599803
  C      -9.255157     -3.580973      5.319294
  F     -10.279773     -3.122042      6.069964
  C      -8.013291     -2.917873      5.302546
  C      -7.475892     -1.694699      6.007595
  O      -8.198902     -0.709180      6.201985
  C      -6.056639     -1.677016      6.423737
  O      -5.097320     -2.757256      6.294418
  C      -5.597534     -0.680582      7.338282
  O      -6.169932      0.221672      7.879455
  Cl     -3.740305     -0.878818      7.753754
  C      -7.105285     -3.513943      4.479528
  C      -3.512206     -5.633131      6.557651
  C      -2.483764     -5.552202      7.516022
  C      -2.786567     -5.415499      8.868125
  C      -4.119412     -5.353541      9.256926
  F      -4.402303     -5.171313     10.567003
  C      -5.168674     -5.469560      8.335629
  C      -6.595568     -5.365871      8.692207
  O      -7.512954     -5.526563      7.896948
  C      -7.046706     -5.035693     10.125500
  O      -7.388805     -5.880499     10.915542
  C      -7.116384     -3.512576     10.395977
  O      -6.573156     -2.718327      9.684433
  Cl     -8.018766     -3.089638     11.857761
  C      -4.839668     -5.628355      6.983278
  H      -1.790892     -1.185200      1.705811
  H      -2.587691      1.177010      1.586176
  H      -5.865357     -2.476698      2.339830
  H      -8.594324     -6.357700      3.400699
  H     -10.414932     -5.247159      4.663457
  H      -6.092308     -3.202690      4.425843
  H      -1.440798     -5.554113      7.195823
  H      -2.003549     -5.321734      9.620347
  H      -5.653975     -5.707347      6.261190
  N      -4.595043     -3.163289      5.153350
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.599331375303
  N      -3.366825     -3.329695      2.327409
  C      -2.611003     -4.011043      1.271796
  C      -2.261940     -5.424330      1.722996
  N      -3.378555     -6.008043      2.511583
  C      -4.569225     -6.338782      1.675626
  C      -5.826421     -6.356102      2.533217
  N      -5.883425     -5.149383      3.357375
  Mo     -4.070848     -4.327116      3.913305
  N      -3.242157     -5.641528      5.170662
  C      -2.330757     -6.664963      4.637223
  C      -2.930198     -7.169932      3.329542
  H      -2.235142     -7.498050      5.350112
  H      -1.317803     -6.256687      4.477713
  H      -3.817734     -7.773655      3.557912
  H      -2.221734     -7.790461      2.756579
  H      -6.699664     -6.400701      1.861063
  H      -5.866271     -7.262248      3.167372
  H      -4.664779     -5.553454      0.914653
  H      -4.419674     -7.303949      1.162538
  H      -1.675883     -3.472676      1.042455
  H      -3.207937     -4.017365      0.341801
  H      -1.383279     -5.396942      2.383669
  H      -2.018678     -6.068817      0.861279
  C      -3.759162     -1.991266      2.074537
  C      -2.837860     -0.959161      1.821712
  C      -3.267919      0.365509      1.758753
  C      -4.608891      0.655009      1.983254
  F      -5.006568      1.949235      1.982393
  C      -5.558822     -0.347029      2.201832
  C      -6.986543     -0.104520      2.529942
  O      -7.861271     -0.926434      2.312438
  C      -7.412712      1.196462      3.262783
  O      -8.297288      1.896678      2.836492
  C      -6.646599      1.473264      4.575025
  O      -5.643017      0.883179      4.862744
  Cl     -7.334068      2.786103      5.531036
  C      -5.116203     -1.673498      2.192898
  C      -7.162201     -4.740062      3.828825
  C      -8.405998     -5.393906      3.861575
  C      -9.442325     -4.775361      4.590585
  C      -9.265405     -3.586419      5.306060
  F     -10.290588     -3.131670      6.058450
  C      -8.028027     -2.916076      5.284464
  C      -7.497701     -1.694838      5.997986
  O      -8.224515     -0.714964      6.203476
  C      -6.078768     -1.679254      6.414088
  O      -5.131022     -2.772064      6.294287
  C      -5.616360     -0.685996      7.329757
  O      -6.181651      0.227536      7.859631
  Cl     -3.762788     -0.899875      7.756747
  C      -7.115958     -3.504442      4.458729
  C      -3.507663     -5.630852      6.564542
  C      -2.474880     -5.558474      7.518834
  C      -2.771725     -5.426545      8.872845
  C      -4.102738     -5.362168      9.267358
  F      -4.379820     -5.183520     10.579329
  C      -5.156177     -5.471329      8.349963
  C      -6.581194     -5.366771      8.713036
  O      -7.502353     -5.510349      7.918827
  C      -7.025824     -5.062208     10.153713
  O      -7.355899     -5.921942     10.932561
  C      -7.111235     -3.543186     10.443273
  O      -6.615142     -2.731857      9.716794
  Cl     -7.954303     -3.151914     11.948703
  C      -4.833146     -5.623737      6.995590
  H      -1.775009     -1.182753      1.720045
  H      -2.566246      1.180934      1.583196
  H      -5.855169     -2.462162      2.339975
  H      -8.587598     -6.366821      3.402491
  H     -10.416763     -5.261377      4.656788
  H      -6.104921     -3.182502      4.410462
  H      -1.433269     -5.561914      7.194353
  H      -1.985282     -5.338256      9.622132
  H      -5.650559     -5.695790      6.276293
  N      -4.607777     -3.172307      5.161474
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.601177419710
  N      -3.358021     -3.320496      2.342200
  C      -2.619837     -4.008759      1.277990
  C      -2.270434     -5.421340      1.728270
  N      -3.388284     -6.006453      2.513938
  C      -4.576201     -6.339182      1.675948
  C      -5.832257     -6.358170      2.533773
  N      -5.888372     -5.149099      3.354369
  Mo     -4.077473     -4.326831      3.916919
  N      -3.243556     -5.636082      5.175932
  C      -2.337274     -6.662735      4.638830
  C      -2.941016     -7.167595      3.333495
  H      -2.240935     -7.495850      5.351547
  H      -1.323937     -6.256739      4.475887
  H      -3.829683     -7.768564      3.564623
  H      -2.235442     -7.791318      2.760343
  H      -6.706748     -6.406241      1.863665
  H      -5.869583     -7.262415      3.170663
  H      -4.673235     -5.552743      0.916282
  H      -4.423663     -7.303062      1.161341
  H      -1.685394     -3.475443      1.034248
  H      -3.229225     -4.014751      0.356101
  H      -1.393414     -5.392609      2.391106
  H      -2.023939     -6.064727      0.866611
  C      -3.746999     -1.982370      2.083412
  C      -2.821426     -0.954256      1.830015
  C      -3.247287      0.371173      1.756528
  C      -4.589051      0.665304      1.969667
  F      -4.983373      1.960544      1.959614
  C      -5.543103     -0.333066      2.186929
  C      -6.972590     -0.084022      2.500084
  O      -7.848093     -0.905879      2.285078
  C      -7.400482      1.224034      3.218041
  O      -8.272508      1.929772      2.775644
  C      -6.652793      1.499138      4.542097
  O      -5.656014      0.905377      4.844556
  Cl     -7.368065      2.793056      5.502868
  C      -5.103803     -1.660728      2.191095
  C      -7.166826     -4.737847      3.820558
  C      -8.406774     -5.398947      3.857182
  C      -9.447087     -4.785356      4.583272
  C      -9.275666     -3.593619      5.294559
  F     -10.301017     -3.143794      6.049622
  C      -8.043164     -2.915570      5.267532
  C      -7.520603     -1.696705      5.990344
  O      -8.250342     -0.721026      6.202752
  C      -6.101472     -1.681921      6.403990
  O      -5.165551     -2.786937      6.293040
  C      -5.634736     -0.690649      7.318696
  O      -6.193731      0.230642      7.841971
  Cl     -3.787449     -0.926623      7.764057
  C      -7.127051     -3.495310      4.438234
  C      -3.503366     -5.628525      6.570757
  C      -2.466090     -5.564238      7.520679
  C      -2.756644     -5.436994      8.876598
  C      -4.085697     -5.370352      9.277165
  F      -4.356644     -5.195305     10.591036
  C      -5.143471     -5.472810      8.363957
  C      -6.566513     -5.367369      8.733762
  O      -7.491476     -5.495021      7.941234
  C      -7.004411     -5.086492     10.181031
  O      -7.324770     -5.959633     10.948822
  C      -7.103807     -3.571631     10.488425
  O      -6.651347     -2.745209      9.750602
  Cl     -7.894084     -3.208771     12.029314
  C      -4.826735     -5.619171      7.007573
  H      -1.758555     -1.181630      1.737199
  H      -2.542255      1.183784      1.581409
  H      -5.845832     -2.446394      2.338489
  H      -8.580239     -6.376885      3.405765
  H     -10.417991     -5.277931      4.652584
  H      -6.118397     -3.160971      4.394494
  H      -1.425923     -5.569175      7.191676
  H      -1.966620     -5.354028      9.622706
  H      -5.647410     -5.684570      6.291369
  N      -4.621600     -3.181473      5.168793
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.602992054340
  N      -3.349232     -3.311761      2.357978
  C      -2.627992     -4.006023      1.285466
  C      -2.278903     -5.418314      1.733936
  N      -3.398336     -6.004978      2.516122
  C      -4.583382     -6.339203      1.675827
  C      -5.838503     -6.359734      2.533680
  N      -5.893576     -5.148725      3.351253
  Mo     -4.084602     -4.327175      3.920761
  N      -3.245708     -5.631895      5.180779
  C      -2.344307     -6.661342      4.639883
  C      -2.952315     -7.165742      3.336786
  H      -2.247166     -7.494661      5.352226
  H      -1.330646     -6.257450      4.473627
  H      -3.842117     -7.764020      3.570458
  H      -2.249626     -7.792453      2.763226
  H      -6.714111     -6.410592      1.865403
  H      -5.873772     -7.262386      3.172833
  H      -4.681533     -5.551605      0.917467
  H      -4.428060     -7.301813      1.159656
  H      -1.694216     -3.477601      1.028579
  H      -3.248988     -4.010815      0.371328
  H      -1.403677     -5.388959      2.399158
  H      -2.029206     -6.060193      0.872024
  C      -3.734202     -1.973588      2.094222
  C      -2.803739     -0.949512      1.842417
  C      -3.224871      0.376820      1.758955
  C      -4.567629      0.675703      1.958879
  F      -4.958252      1.972008      1.939244
  C      -5.526400     -0.318912      2.172514
  C      -6.958305     -0.063619      2.467620
  O      -7.834031     -0.885092      2.251506
  C      -7.390153      1.250085      3.171847
  O      -8.250163      1.960042      2.713291
  C      -6.671861      1.517635      4.514521
  O      -5.673804      0.932396      4.828037
  Cl     -7.408575      2.805838      5.466185
  C      -5.090754     -1.647776      2.189484
  C      -7.171470     -4.735434      3.812639
  C      -8.407408     -5.403976      3.853757
  C      -9.451405     -4.795928      4.577816
  C      -9.285237     -3.601528      5.285027
  F     -10.310274     -3.156897      6.043573
  C      -8.057954     -2.915382      5.251461
  C      -7.543058     -1.698579      5.983074
  O      -8.276235     -0.727823      6.203738
  C      -6.123805     -1.684528      6.394012
  O      -5.200459     -2.802193      6.291554
  C      -5.651825     -0.694825      7.306616
  O      -6.201901      0.238990      7.817272
  Cl     -3.807592     -0.945801      7.760092
  C      -7.138164     -3.486227      4.418091
  C      -3.499792     -5.627515      6.576474
  C      -2.458036     -5.571552      7.521992
  C      -2.742178     -5.449083      8.879810
  C      -4.069208     -5.379754      9.286487
  F      -4.333904     -5.208392     10.602256
  C      -5.131326     -5.474904      8.377515
  C      -6.552295     -5.367451      8.754024
  O      -7.481109     -5.480871      7.963788
  C      -6.983563     -5.109711     10.207357
  O      -7.295763     -5.995656     10.963707
  C      -7.092261     -3.599318     10.533965
  O      -6.677628     -2.759232      9.789425
  Cl     -7.832036     -3.263324     12.105943
  C      -4.820983     -5.615501      7.019162
  H      -1.740854     -1.180852      1.759764
  H      -2.516031      1.186568      1.585870
  H      -5.836305     -2.430361      2.335177
  H      -8.572653     -6.386754      3.409837
  H     -10.418542     -5.295341      4.650835
  H      -6.132134     -3.138054      4.378350
  H      -1.419330     -5.578251      7.188421
  H      -1.948520     -5.371753      9.622678
  H      -5.644952     -5.673758      6.306136
  N      -4.635952     -3.191216      5.176085
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.604784534543
  N      -3.341875     -3.302905      2.374507
  C      -2.636664     -4.002056      1.293879
  C      -2.287486     -5.414180      1.739933
  N      -3.408331     -6.002998      2.518407
  C      -4.590212     -6.339165      1.675608
  C      -5.844669     -6.361657      2.533233
  N      -5.899141     -5.148917      3.348099
  Mo     -4.092865     -4.327569      3.924834
  N      -3.248678     -5.627670      5.185491
  C      -2.351305     -6.659219      4.640954
  C      -2.963059     -7.163343      3.339949
  H      -2.252921     -7.492745      5.352838
  H      -1.337586     -6.256730      4.471613
  H      -3.853657     -7.759469      3.575975
  H      -2.262833     -7.792524      2.765994
  H      -6.721185     -6.415315      1.866553
  H      -5.877870     -7.262844      3.174420
  H      -4.689606     -5.550636      0.918344
  H      -4.431744     -7.300542      1.158112
  H      -1.703895     -3.477853      1.024805
  H      -3.268589     -4.005350      0.387248
  H      -1.414067     -5.384223      2.407524
  H      -2.034421     -6.054121      0.877538
  C      -3.722746     -1.964609      2.106287
  C      -2.787433     -0.944321      1.857178
  C      -3.203958      0.382819      1.764090
  C      -4.547736      0.686085      1.950227
  F      -4.934873      1.983289      1.921442
  C      -5.511041     -0.305117      2.159321
  C      -6.945115     -0.044213      2.436479
  O      -7.821046     -0.865396      2.219685
  C      -7.380894      1.275583      3.125384
  O      -8.222650      1.993813      2.646568
  C      -6.681876      1.543619      4.478846
  O      -5.689268      0.957509      4.806429
  Cl     -7.439833      2.822133      5.426062
  C      -5.078988     -1.634945      2.188521
  C      -7.176300     -4.734066      3.805054
  C      -8.407647     -5.410871      3.851518
  C      -9.455141     -4.809081      4.574260
  C      -9.294491     -3.611763      5.276981
  F     -10.318857     -3.172643      6.039607
  C      -8.073229     -2.916491      5.235441
  C      -7.566423     -1.700718      5.974358
  O      -8.304123     -0.736396      6.205548
  C      -6.146782     -1.686918      6.382113
  O      -5.237184     -2.817073      6.288665
  C      -5.669397     -0.697866      7.291708
  O      -6.211707      0.245542      7.793220
  Cl     -3.830072     -0.966825      7.757458
  C      -7.149729     -3.478065      4.397831
  C      -3.496902     -5.626691      6.581941
  C      -2.450846     -5.579053      7.523145
  C      -2.728740     -5.461841      8.882801
  C      -4.053720     -5.390159      9.295572
  F      -4.312318     -5.223178     10.613227
  C      -5.120029     -5.477733      8.390763
  C      -6.538947     -5.368351      8.773834
  O      -7.471345     -5.466601      7.985782
  C      -6.963415     -5.132266     10.232649
  O      -7.270084     -6.029672     10.977594
  C      -7.075555     -3.626398     10.578808
  O      -6.692830     -2.774371      9.830846
  Cl     -7.768784     -3.314586     12.176851
  C      -4.815932     -5.612254      7.030490
  H      -1.724570     -1.179344      1.785256
  H      -2.491399      1.189895      1.593893
  H      -5.828013     -2.414590      2.331698
  H      -8.564167     -6.398488      3.415370
  H     -10.418022     -5.315923      4.651859
  H      -6.147583     -3.114360      4.361494
  H      -1.413599     -5.587354      7.185165
  H      -1.931566     -5.390328      9.622462
  H      -5.643110     -5.663333      6.320691
  N      -4.652179     -3.201589      5.182624
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.606555669177
  N      -3.334421     -3.295013      2.391472
  C      -2.644510     -3.998307      1.303070
  C      -2.295972     -5.410621      1.746060
  N      -3.418514     -6.001431      2.520581
  C      -4.597313     -6.338977      1.675240
  C      -5.851207     -6.363028      2.532622
  N      -5.904668     -5.148857      3.345224
  Mo     -4.101258     -4.328547      3.929036
  N      -3.251959     -5.624669      5.189672
  C      -2.358452     -6.657998      4.641469
  C      -2.974128     -7.161635      3.342614
  H      -2.258752     -7.491812      5.352799
  H      -1.344718     -6.256827      4.469029
  H      -3.865548     -7.755562      3.580991
  H      -2.276491     -7.793212      2.768035
  H      -6.728617     -6.418736      1.867459
  H      -5.882810     -7.262992      3.175472
  H      -4.697571     -5.549486      0.919049
  H      -4.436112     -7.299197      1.156434
  H      -1.712654     -3.478166      1.022998
  H      -3.286534     -3.999412      0.403535
  H      -1.424388     -5.380810      2.416076
  H      -2.039837     -6.048408      0.882945
  C      -3.710776     -1.956271      2.119573
  C      -2.770120     -0.939983      1.874342
  C      -3.181436      0.388032      1.771431
  C      -4.526131      0.695945      1.942750
  F      -4.909259      1.994103      1.904573
  C      -5.494301     -0.291558      2.146929
  C      -6.930274     -0.024720      2.406153
  O      -7.806676     -0.845128      2.187643
  C      -7.370384      1.302319      3.077087
  O      -8.201331      2.021521      2.581412
  C      -6.699920      1.569421      4.446054
  O      -5.706945      0.992689      4.787948
  Cl     -7.492259      2.830144      5.388410
  C      -5.066496     -1.622480      2.188073
  C      -7.180731     -4.732070      3.798362
  C      -8.407360     -5.417188      3.851216
  C      -9.458090     -4.821702      4.572999
  C      -9.302753     -3.621200      5.270644
  F     -10.325962     -3.187399      6.037837
  C      -8.087591     -2.916995      5.220355
  C      -7.588634     -1.702034      5.965901
  O      -8.329824     -0.742460      6.203660
  C      -6.168511     -1.688034      6.369290
  O      -5.273319     -2.831107      6.285063
  C      -5.684454     -0.698411      7.273559
  O      -6.217885      0.255801      7.764323
  Cl     -3.848784     -0.983174      7.747492
  C      -7.160777     -3.469434      4.378221
  C      -3.494314     -5.627005      6.586826
  C      -2.443921     -5.588061      7.523602
  C      -2.715417     -5.476364      8.885092
  C      -4.038285     -5.402158      9.304068
  F      -4.290642     -5.240365     10.623696
  C      -5.108831     -5.481532      8.403521
  C      -6.525643     -5.370148      8.793312
  O      -7.461593     -5.452440      8.007606
  C      -6.943181     -5.153776     10.257034
  O      -7.248049     -6.061311     10.990312
  C      -7.056843     -3.652309     10.621691
  O      -6.701079     -2.789604      9.872718
  Cl     -7.709566     -3.362603     12.241017
  C      -4.811108     -5.609821      7.041346
  H      -1.707425     -1.179028      1.813765
  H      -2.464834      1.192251      1.604707
  H      -5.819330     -2.398962      2.328048
  H      -8.555196     -6.409528      3.422900
  H     -10.416548     -5.336028      4.655785
  H      -6.162862     -3.088780      4.344433
  H      -1.408169     -5.598250      7.181122
  H      -1.914667     -5.411161      9.621470
  H      -5.641533     -5.653532      6.334905
  N      -4.668399     -3.211990      5.188799
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.608300564162
  N      -3.328015     -3.287115      2.409651
  C      -2.652192     -3.993243      1.313676
  C      -2.304310     -5.406046      1.752666
  N      -3.428565     -5.999413      2.522769
  C      -4.604128     -6.338190      1.674626
  C      -5.857687     -6.364285      2.531581
  N      -5.910415     -5.149179      3.342641
  Mo     -4.110459     -4.329920      3.933741
  N      -3.255907     -5.622400      5.193732
  C      -2.365596     -6.656797      4.641766
  C      -2.984813     -7.159708      3.344809
  H      -2.264309     -7.491097      5.352274
  H      -1.352018     -6.256397      4.466533
  H      -3.876862     -7.751844      3.585213
  H      -2.289474     -7.793190      2.769429
  H      -6.735856     -6.421653      1.867731
  H      -5.887761     -7.263411      3.175540
  H      -4.705201     -5.547589      0.919658
  H      -4.440072     -7.297122      1.154324
  H      -1.721343     -3.476492      1.023985
  H      -3.303401     -3.991591      0.420744
  H      -1.434629     -5.376848      2.425191
  H      -2.045029     -6.041104      0.888453
  C      -3.699966     -1.947769      2.134813
  C      -2.754081     -0.934978      1.895221
  C      -3.160244      0.393869      1.783059
  C      -4.505937      0.706016      1.938008
  F      -4.885264      2.004962      1.889956
  C      -5.478961     -0.278128      2.135173
  C      -6.917284     -0.005867      2.373019
  O      -7.792784     -0.827405      2.154515
  C      -7.363433      1.326388      3.028515
  O      -8.176482      2.051421      2.512314
  C      -6.716626      1.595788      4.409193
  O      -5.724069      1.027094      4.764369
  Cl     -7.534466      2.846828      5.342061
  C      -5.055203     -1.610085      2.188177
  C      -7.185229     -4.730741      3.792631
  C      -8.406761     -5.424577      3.852739
  C      -9.460489     -4.835782      4.574210
  C      -9.310554     -3.631822      5.266329
  F     -10.332262     -3.203329      6.038484
  C      -8.102016     -2.918203      5.206150
  C      -7.610942     -1.703069      5.956845
  O      -8.355733     -0.748225      6.200616
  C      -6.190208     -1.688640      6.355464
  O      -5.310297     -2.844756      6.280997
  C      -5.698488     -0.697470      7.252710
  O      -6.222433      0.267790      7.732260
  Cl     -3.865837     -0.996934      7.732301
  C      -7.172112     -3.461609      4.359399
  C      -3.492528     -5.628330      6.591483
  C      -2.437999     -5.598133      7.523967
  C      -2.703298     -5.492104      8.887206
  C      -4.024063     -5.415345      9.312225
  F      -4.270377     -5.259015     10.633781
  C      -5.098665     -5.486307      8.415840
  C      -6.513369     -5.372475      8.812160
  O      -7.452785     -5.442196      8.029359
  C      -6.924114     -5.175295     10.280414
  O      -7.225290     -6.092579     11.003020
  C      -7.035750     -3.678413     10.664358
  O      -6.703998     -2.805491      9.916261
  Cl     -7.647500     -3.410404     12.303508
  C      -4.807129     -5.608545      7.051862
  H      -1.691562     -1.177695      1.847022
  H      -2.439618      1.195480      1.621156
  H      -5.811878     -2.383612      2.323259
  H      -8.545683     -6.421527      3.432283
  H     -10.414179     -5.357918      4.662910
  H      -6.179423     -3.062418      4.327455
  H      -1.403710     -5.610106      7.177151
  H      -1.899100     -5.433281      9.620372
  H      -5.640702     -5.645040      6.348773
  N      -4.685931     -3.222966      5.194870
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.610015543488
  N      -3.321940     -3.280067      2.427920
  C      -2.660018     -3.988426      1.324336
  C      -2.312942     -5.401940      1.758823
  N      -3.438729     -5.997739      2.524873
  C      -4.611358     -6.337567      1.674266
  C      -5.864514     -6.365318      2.531033
  N      -5.915967     -5.149404      3.340814
  Mo     -4.119616     -4.331662      3.938580
  N      -3.259574     -5.620851      5.197275
  C      -2.372220     -6.655979      4.641480
  C      -2.995288     -7.158202      3.346610
  H      -2.269028     -7.490757      5.351114
  H      -1.358944     -6.256110      4.463258
  H      -3.887809     -7.748665      3.589291
  H      -2.302363     -7.793439      2.770163
  H      -6.743560     -6.423845      1.868626
  H      -5.893285     -7.263708      3.175923
  H      -4.713199     -5.545996      0.920372
  H      -4.444842     -7.295348      1.152643
  H      -1.730275     -3.474836      1.025507
  H      -3.320127     -3.983620      0.437954
  H      -1.444860     -5.373792      2.433454
  H      -2.051119     -6.034138      0.893273
  C      -3.689282     -1.939905      2.150897
  C      -2.737973     -0.930878      1.917110
  C      -3.138751      0.398789      1.795775
  C      -4.485211      0.715211      1.934828
  F      -4.860471      2.014908      1.877307
  C      -5.462968     -0.265523      2.125822
  C      -6.902875      0.011828      2.344993
  O      -7.778575     -0.808950      2.123648
  C      -7.354274      1.352035      2.978949
  O      -8.155008      2.076639      2.443445
  C      -6.736065      1.626045      4.372626
  O      -5.742145      1.070400      4.743392
  Cl     -7.592156      2.857058      5.297268
  C      -5.043682     -1.598373      2.189780
  C      -7.189055     -4.728957      3.788524
  C      -8.405316     -5.431475      3.857323
  C      -9.461393     -4.849208      4.579201
  C      -9.316414     -3.641361      5.264895
  F     -10.335886     -3.217606      6.042587
  C      -8.114853     -2.918294      5.193104
  C      -7.630938     -1.702027      5.946833
  O      -8.379486     -0.752253      6.197234
  C      -6.209463     -1.687174      6.339915
  O      -5.346037     -2.856699      6.275958
  C      -5.709196     -0.693454      7.228396
  O      -6.223389      0.282599      7.696823
  Cl     -3.879403     -1.007237      7.712453
  C      -7.182413     -3.453267      4.341641
  C      -3.490243     -5.630430      6.595557
  C      -2.431597     -5.608884      7.523643
  C      -2.690697     -5.508752      8.888583
  C      -4.009335     -5.429975      9.319736
  F      -4.249589     -5.279616     10.643215
  C      -5.087959     -5.492934      8.427615
  C      -6.500663     -5.378083      8.830428
  O      -7.443246     -5.434572      8.050372
  C      -6.904676     -5.197136     10.302532
  O      -7.206310     -6.122254     11.014855
  C      -7.017492     -3.704256     10.701438
  O      -6.706627     -2.822763      9.954490
  Cl     -7.599423     -3.454397     12.354440
  C      -4.802608     -5.608660      7.061875
  H      -1.675860     -1.177480      1.880908
  H      -2.414138      1.197717      1.638547
  H      -5.804185     -2.368838      2.320287
  H      -8.535517     -6.432987      3.445123
  H     -10.410059     -5.379141      4.674972
  H      -6.195871     -3.034402      4.310457
  H      -1.398812     -5.622360      7.172462
  H      -1.883082     -5.456214      9.618456
  H      -5.639348     -5.638764      6.362305
  N      -4.703259     -3.233862      5.200346
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.611690474157
  N      -3.316565     -3.272923      2.447638
  C      -2.667534     -3.982386      1.336602
  C      -2.321470     -5.396918      1.765678
  N      -3.448860     -5.995543      2.527226
  C      -4.618472     -6.336095      1.673935
  C      -5.871397     -6.365825      2.530365
  N      -5.921704     -5.149614      3.339569
  Mo     -4.129441     -4.333674      3.944111
  N      -3.263803     -5.619978      5.200859
  C      -2.378843     -6.655155      4.641112
  C      -3.005567     -7.156432      3.348158
  H      -2.273531     -7.490612      5.349614
  H      -1.366006     -6.255370      4.460131
  H      -3.898427     -7.745524      3.592880
  H      -2.314886     -7.793026      2.770402
  H      -6.751242     -6.424995      1.869235
  H      -5.898996     -7.263885      3.175630
  H      -4.720934     -5.543366      0.921291
  H      -4.449501     -7.292607      1.150767
  H      -1.738872     -3.471439      1.029854
  H      -3.335762     -3.973838      0.456316
  H      -1.455039     -5.370405      2.442485
  H      -2.057143     -6.025756      0.898427
  C      -3.679441     -1.931797      2.169042
  C      -2.722760     -0.926077      1.942823
  C      -3.117918      0.404350      1.812160
  C      -4.465124      0.724807      1.932869
  F      -4.836267      2.025109      1.864494
  C      -5.447749     -0.252619      2.115622
  C      -6.889571      0.030119      2.311514
  O      -7.764185     -0.792135      2.090517
  C      -7.347399      1.376143      2.927327
  O      -8.131013      2.103548      2.370869
  C      -6.755846      1.655728      4.332253
  O      -5.760101      1.114036      4.717522
  Cl     -7.643918      2.873024      5.244558
  C      -5.033002     -1.586505      2.191454
  C      -7.192950     -4.727327      3.785714
  C      -8.403626     -5.438784      3.863991
  C      -9.461965     -4.863401      4.586652
  C      -9.322173     -3.651511      5.265582
  F     -10.339151     -3.232635      6.049158
  C      -8.127914     -2.918895      5.181762
  C      -7.651361     -1.701242      5.938328
  O      -8.402917     -0.754950      6.191639
  C      -6.228823     -1.685026      6.324224
  O      -5.381927     -2.867767      6.271005
  C      -5.718569     -0.687545      7.201351
  O      -6.222114      0.299880      7.657657
  Cl     -3.890258     -1.013830      7.685814
  C      -7.193087     -3.445401      4.325311
  C      -3.488988     -5.633512      6.599554
  C      -2.426573     -5.620173      7.523558
  C      -2.679903     -5.526101      8.890079
  C      -3.996544     -5.445966      9.327000
  F      -4.231193     -5.301903     10.652318
  C      -5.078875     -5.501520      8.438923
  C      -6.489724     -5.386645      8.848006
  O      -7.435383     -5.433529      8.071053
  C      -6.887624     -5.220490     10.323504
  O      -7.183745     -6.153153     11.028295
  C      -6.997173     -3.731581     10.737991
  O      -6.705810     -2.842169      9.992675
  Cl     -7.542615     -3.499089     12.406161
  C      -4.799265     -5.610598      7.071507
  H      -1.661107     -1.176348      1.920037
  H      -2.389195      1.200693      1.660873
  H      -5.797481     -2.353998      2.315581
  H      -8.524904     -6.444663      3.459831
  H     -10.405298     -5.401382      4.689893
  H      -6.213470     -3.005477      4.294078
  H      -1.395185     -5.634571      7.168308
  H      -1.869112     -5.479481      9.616848
  H      -5.638980     -5.635122      6.375333
  N      -4.721582     -3.244731      5.206051
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.613309546992
  N      -3.311885     -3.266503      2.467230
  C      -2.675952     -3.976435      1.348376
  C      -2.330659     -5.392178      1.771394
  N      -3.459136     -5.993626      2.529205
  C      -4.626231     -6.334865      1.673818
  C      -5.878698     -6.366287      2.530396
  N      -5.927173     -5.149924      3.339374
  Mo     -4.139104     -4.336081      3.949687
  N      -3.267235     -5.619751      5.203610
  C      -2.384517     -6.654665      4.639684
  C      -3.015383     -7.155028      3.348888
  H      -2.276629     -7.490799      5.346963
  H      -1.372311     -6.254688      4.455595
  H      -3.908317     -7.742975      3.596038
  H      -2.327101     -7.792738      2.769415
  H      -6.759600     -6.425626      1.870865
  H      -5.905154     -7.264138      3.175840
  H      -4.729519     -5.541166      0.922260
  H      -4.455219     -7.290247      1.149280
  H      -1.748633     -3.467804      1.033742
  H      -3.352419     -3.963842      0.474428
  H      -1.465301     -5.367636      2.449617
  H      -2.064701     -6.017462      0.902081
  C      -3.670236     -1.924224      2.187954
  C      -2.708126     -0.922011      1.969385
  C      -3.097614      0.409173      1.829864
  C      -4.445371      0.733589      1.932945
  F      -4.812258      2.034425      1.854200
  C      -5.432658     -0.240636      2.108031
  C      -6.875819      0.046763      2.282832
  O      -7.750055     -0.775517      2.059535
  C      -7.339393      1.400443      2.875499
  O      -8.107716      2.127449      2.297707
  C      -6.775998      1.688439      4.290974
  O      -5.778010      1.163225      4.691994
  Cl     -7.701115      2.887420      5.190340
  C      -5.022619     -1.575308      2.194742
  C      -7.196047     -4.725548      3.785276
  C      -8.400903     -5.445859      3.874562
  C      -9.460602     -4.877262      4.599174
  C      -9.325369     -3.661006      5.270634
  F     -10.338933     -3.246455      6.060903
  C      -8.138922     -2.918736      5.172781
  C      -7.668875     -1.698659      5.930010
  O      -8.424043     -0.757193      6.189231
  C      -6.244981     -1.681083      6.307607
  O      -5.415624     -2.877020      6.265672
  C      -5.723603     -0.678795      7.171291
  O      -6.216226      0.319706      7.615565
  Cl     -3.896336     -1.016891      7.654054
  C      -7.202472     -3.437419      4.311034
  C      -3.486419     -5.637187      6.602692
  C      -2.420038     -5.631736      7.522261
  C      -2.667295     -5.543530      8.890336
  C      -3.981805     -5.462164      9.333382
  F      -4.210453     -5.324051     10.660488
  C      -5.068027     -5.510780      8.449676
  C      -6.477052     -5.396414      8.865025
  O      -7.425719     -5.436112      8.091352
  C      -6.868719     -5.244553     10.343641
  O      -7.166211     -6.183836     11.038991
  C      -6.985400     -3.759353     10.769189
  O      -6.712285     -2.862475     10.025996
  Cl     -7.514210     -3.542659     12.444992
  C      -4.794460     -5.613455      7.080632
  H      -1.647158     -1.176054      1.959482
  H      -2.364937      1.202954      1.684434
  H      -5.790927     -2.339852      2.312702
  H      -8.513567     -6.455946      3.478615
  H     -10.398299     -5.423224      4.711200
  H      -6.230985     -2.975675      4.278361
  H      -1.390171     -5.646924      7.162699
  H      -1.853194     -5.502539      9.613727
  H      -5.637348     -5.633190      6.388208
  N      -4.739373     -3.255373      5.211294
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.614857331688
  N      -3.307417     -3.260213      2.488520
  C      -2.683162     -3.969661      1.362301
  C      -2.338984     -5.386831      1.778724
  N      -3.468978     -5.991367      2.531934
  C      -4.633032     -6.333088      1.673649
  C      -5.885746     -6.366273      2.529447
  N      -5.932901     -5.150140      3.338704
  Mo     -4.149816     -4.338743      3.955861
  N      -3.272287     -5.620070      5.206897
  C      -2.390916     -6.654086      4.639302
  C      -3.025006     -7.153446      3.350208
  H      -2.280637     -7.491006      5.345262
  H      -1.379379     -6.253479      4.452870
  H      -3.917990     -7.740574      3.599117
  H      -2.338604     -7.791891      2.769212
  H      -6.767223     -6.425262      1.870806
  H      -5.911679     -7.264228      3.174625
  H      -4.736533     -5.538403      0.923108
  H      -4.459710     -7.287345      1.147838
  H      -1.757026     -3.462856      1.041212
  H      -3.366807     -3.952615      0.493992
  H      -1.475042     -5.364730      2.458795
  H      -2.071062     -6.008181      0.907198
  C      -3.661275     -1.916633      2.209021
  C      -2.693725     -0.917581      2.000015
  C      -3.077291      0.414266      1.851137
  C      -4.425485      0.742420      1.934156
  F      -4.787900      2.043658      1.843922
  C      -5.417507     -0.228662      2.100049
  C      -6.861946      0.063629      2.251143
  O      -7.735249     -0.759674      2.026908
  C      -7.331835      1.424280      2.821240
  O      -8.084671      2.150119      2.222056
  C      -6.798044      1.721892      4.246916
  O      -5.797170      1.215990      4.664479
  Cl     -7.762452      2.900848      5.131367
  C      -5.012355     -1.564231      2.198158
  C      -7.199594     -4.723684      3.784266
  C      -8.398446     -5.452880      3.884571
  C      -9.459792     -4.891078      4.610729
  C      -9.329672     -3.670170      5.274259
  F     -10.340088     -3.259688      6.070664
  C      -8.151210     -2.918396      5.162650
  C      -7.688023     -1.695508      5.920130
  O      -8.446178     -0.757248      6.181322
  C      -6.262853     -1.676024      6.289205
  O      -5.450933     -2.884927      6.259592
  C      -5.729755     -0.667907      7.137239
  O      -6.211137      0.342016      7.568105
  Cl     -3.902538     -1.016063      7.615857
  C      -7.212805     -3.429668      4.296242
  C      -3.486620     -5.641569      6.606158
  C      -2.416966     -5.643613      7.522053
  C      -2.659073     -5.561856      8.891499
  C      -3.971756     -5.480314      9.339846
  F      -4.195428     -5.349131     10.668624
  C      -5.061213     -5.522344      8.459866
  C      -6.468648     -5.410315      8.881092
  O      -7.419943     -5.440108      8.110263
  C      -6.854918     -5.270376     10.362372
  O      -7.142912     -6.215954     11.053202
  C      -6.961297     -3.788845     10.803125
  O      -6.702432     -2.885627     10.062644
  Cl     -7.450013     -3.586860     12.493096
  C      -4.792774     -5.617795      7.089288
  H      -1.633564     -1.175217      2.004584
  H      -2.340573      1.205572      1.712798
  H      -5.784544     -2.325933      2.308407
  H      -8.502211     -6.466986      3.496604
  H     -10.391697     -5.445044      4.731346
  H      -6.250216     -2.945325      4.261803
  H      -1.388371     -5.659072      7.158873
  H      -1.842164     -5.526388      9.612030
  H      -5.638420     -5.633429      6.400177
  N      -4.759230     -3.265662      5.216231
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.616317902571
  N      -3.303975     -3.254730      2.509099
  C      -2.691794     -3.962920      1.374974
  C      -2.348298     -5.381700      1.783914
  N      -3.479002     -5.989471      2.533645
  C      -4.640862     -6.331624      1.673485
  C      -5.893271     -6.366458      2.529469
  N      -5.938299     -5.150775      3.339445
  Mo     -4.160002     -4.342084      3.961738
  N      -3.275579     -5.621188      5.208728
  C      -2.395661     -6.653994      4.636849
  C      -3.033887     -7.152335      3.349878
  H      -2.282299     -7.491713      5.341348
  H      -1.385038     -6.252502      4.447369
  H      -3.926571     -7.738901      3.601194
  H      -2.349700     -7.791229      2.766671
  H      -6.775823     -6.424636      1.872352
  H      -5.918381     -7.264715      3.174112
  H      -4.745103     -5.536067      0.923918
  H      -4.465785     -7.284847      1.146411
  H      -1.767219     -3.457468      1.047247
  H      -3.382997     -3.941167      0.512734
  H      -1.484968     -5.362397      2.464790
  H      -2.079545     -5.998845      0.909675
  C      -3.653777     -1.909735      2.230344
  C      -2.681197     -0.913535      2.031149
  C      -3.059125      0.418924      1.873782
  C      -4.407560      0.750433      1.937357
  F      -4.765620      2.051929      1.835952
  C      -5.403926     -0.217828      2.093941
  C      -6.849350      0.078629      2.221898
  O      -7.721524     -0.746150      1.997713
  C      -7.325461      1.445655      2.769796
  O      -8.060329      2.171465      2.148707
  C      -6.817631      1.754886      4.203047
  O      -5.813222      1.269247      4.635068
  Cl     -7.814972      2.919086      5.070477
  C      -5.003384     -1.554162      2.202461
  C      -7.202317     -4.722093      3.786443
  C      -8.394938     -5.459955      3.899614
  C      -9.456934     -4.904651      4.628524
  C      -9.331227     -3.678793      5.283383
  F     -10.337461     -3.271861      6.086874
  C      -8.161064     -2.917784      5.156312
  C      -7.703702     -1.691563      5.912607
  O      -8.464184     -0.755883      6.175440
  C      -6.276886     -1.670310      6.271490
  O      -5.482632     -2.891791      6.253833
  C      -5.730429     -0.655929      7.101717
  O      -6.200280      0.364612      7.520393
  Cl     -3.902019     -1.013146      7.571732
  C      -7.221761     -3.422391      4.284618
  C      -3.483873     -5.646282      6.608305
  C      -2.410129     -5.655548      7.519469
  C      -2.645799     -5.579319      8.890388
  C      -3.956187     -5.496733      9.345200
  F      -4.173450     -5.371298     10.675691
  C      -5.049689     -5.532217      8.469974
  C      -6.455231     -5.421240      8.897776
  O      -7.409701     -5.446865      8.130712
  C      -6.835233     -5.295983     10.381924
  O      -7.128284     -6.247955     11.061758
  C      -6.954842     -3.818421     10.832356
  O      -6.711095     -2.907749     10.095966
  Cl     -7.441909     -3.632340     12.524813
  C      -4.787645     -5.621746      7.097797
  H      -1.621982     -1.174488      2.049743
  H      -2.318711      1.207998      1.742679
  H      -5.779105     -2.313307      2.304753
  H      -8.490322     -6.477897      3.519696
  H     -10.382778     -5.466432      4.759072
  H      -6.269004     -2.915136      4.246573
  H      -1.383173     -5.671748      7.151722
  H      -1.825434     -5.549132      9.607231
  H      -5.636693     -5.633387      6.412848
  N      -4.777612     -3.275899      5.220789
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.617703466347
  N      -3.300417     -3.249665      2.531398
  C      -2.698835     -3.955741      1.389788
  C      -2.356304     -5.376324      1.790857
  N      -3.488265     -5.987531      2.536155
  C      -4.647183     -6.330005      1.672973
  C      -5.900378     -6.366330      2.527689
  N      -5.943910     -5.151358      3.338813
  Mo     -4.171354     -4.345832      3.967993
  N      -3.280999     -5.622949      5.211202
  C      -2.401472     -6.654038      4.635941
  C      -3.042453     -7.151308      3.350388
  H      -2.285507     -7.492627      5.338952
  H      -1.391716     -6.251271      4.444562
  H      -3.934875     -7.737664      3.603149
  H      -2.359736     -7.790261      2.765445
  H      -6.783243     -6.423138      1.871028
  H      -5.925672     -7.265118      3.171430
  H      -4.751250     -5.533694      0.924128
  H      -4.469947     -7.282292      1.144983
  H      -1.775642     -3.451153      1.056828
  H      -3.396526     -3.928967      0.532890
  H      -1.493984     -5.360228      2.473020
  H      -2.086306     -5.988898      0.913821
  C      -3.646063     -1.903062      2.253992
  C      -2.668444     -0.909580      2.066317
  C      -3.040767      0.423378      1.900241
  C      -4.389347      0.757886      1.943016
  F      -4.742950      2.059505      1.830271
  C      -5.389880     -0.207813      2.089686
  C      -6.835956      0.092128      2.195503
  O      -7.707275     -0.733363      1.969443
  C      -7.317776      1.467017      2.716297
  O      -8.038470      2.188123      2.073473
  C      -6.839462      1.790633      4.157032
  O      -5.831887      1.328272      4.606232
  Cl     -7.878092      2.931698      5.006756
  C      -4.993917     -1.544720      2.207934
  C      -7.205558     -4.720271      3.786682
  C      -8.391854     -5.466627      3.912401
  C      -9.454744     -4.917574      4.643537
  C      -9.333935     -3.686432      5.289194
  F     -10.336369     -3.282419      6.098889
  C      -8.172365     -2.916293      5.146668
  C      -7.720920     -1.685875      5.900419
  O      -8.484241     -0.753440      6.165713
  C      -6.292813     -1.663196      6.250555
  O      -5.516659     -2.897091      6.246584
  C      -5.733208     -0.641830      7.061615
  O      -6.191865      0.389223      7.467016
  Cl     -3.902947     -1.006217      7.521300
  C      -7.231588     -3.415028      4.270893
  C      -3.484593     -5.651689      6.610832
  C      -2.407677     -5.668244      7.518299
  C      -2.638198     -5.598064      8.890443
  C      -3.946691     -5.514903      9.350542
  F      -4.158968     -5.396159     10.682561
  C      -5.043335     -5.543628      8.479100
  C      -6.447248     -5.434735      8.912668
  O      -7.404304     -5.452157      8.148684
  C      -6.821915     -5.321805     10.399228
  O      -7.105811     -6.280012     11.074179
  C      -6.932106     -3.848239     10.864781
  O      -6.699082     -2.931131     10.133025
  Cl     -7.386157     -3.677243     12.568098
  C      -4.786433     -5.626546      7.105532
  H      -1.610367     -1.173685      2.099967
  H      -2.296817      1.210419      1.777323
  H      -5.772939     -2.301571      2.301252
  H      -8.478633     -6.488243      3.540468
  H     -10.374430     -5.487014      4.783819
  H      -6.289753     -2.884642      4.229121
  H      -1.382032     -5.685142      7.146980
  H      -1.815087     -5.573429      9.604343
  H      -5.638285     -5.634372      6.424077
  N      -4.798665     -3.285985      5.224543
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.619014992878
  N      -3.297746     -3.245229      2.553868
  C      -2.706393     -3.948169      1.404576
  C      -2.364774     -5.370790      1.796737
  N      -3.497549     -5.985683      2.538066
  C      -4.654075     -6.328103      1.672405
  C      -5.907839     -6.365972      2.526266
  N      -5.949539     -5.152156      3.339162
  Mo     -4.182634     -4.350387      3.974212
  N      -3.285340     -5.625605      5.212684
  C      -2.406082     -6.654429      4.633555
  C      -3.050422     -7.150531      3.349673
  H      -2.286980     -7.493973      5.334892
  H      -1.397396     -6.250073      4.439876
  H      -3.942340     -7.736916      3.604231
  H      -2.369377     -7.789223      2.762406
  H      -6.791232     -6.420790      1.870272
  H      -5.933281     -7.265670      3.168596
  H      -4.758089     -5.530944      0.924396
  H      -4.475106     -7.279450      1.143341
  H      -1.784706     -3.443878      1.066954
  H      -3.410403     -3.915969      0.552990
  H      -1.502978     -5.358534      2.479556
  H      -2.094324     -5.978373      0.916403
  C      -3.639754     -1.896860      2.278682
  C      -2.657521     -0.905549      2.103821
  C      -3.024183      0.427805      1.929027
  C      -4.372582      0.765021      1.949479
  F      -4.721486      2.066567      1.824069
  C      -5.377157     -0.198201      2.085206
  C      -6.823677      0.105504      2.166840
  O      -7.693696     -0.722203      1.942734
  C      -7.311515      1.486548      2.664239
  O      -8.014801      2.205194      1.999697
  C      -6.859858      1.825233      4.110548
  O      -5.848328      1.387759      4.574896
  Cl     -7.933304      2.949280      4.940054
  C      -4.985705     -1.535881      2.213351
  C      -7.208707     -4.718729      3.789266
  C      -8.388335     -5.473562      3.928902
  C      -9.451616     -4.930701      4.662984
  C      -9.335634     -3.694045      5.298865
  F     -10.333660     -3.292825      6.115368
  C      -8.182923     -2.915043      5.140063
  C      -7.736792     -1.680421      5.890837
  O      -8.501792     -0.749228      6.155037
  C      -6.307103     -1.655830      6.230408
  O      -5.547941     -2.901409      6.239954
  C      -5.732870     -0.626870      7.019374
  O      -6.180185      0.414076      7.412219
  Cl     -3.898897     -0.996585      7.462939
  C      -7.241323     -3.408382      4.259792
  C      -3.483551     -5.657656      6.612489
  C      -2.402884     -5.681266      7.515533
  C      -2.627210     -5.616853      8.889000
  C      -3.933430     -5.533085      9.355355
  F      -4.139595     -5.420870     10.689004
  C      -5.033862     -5.555113      8.488574
  C      -6.435901     -5.448554      8.928946
  O      -7.396041     -5.457807      8.168700
  C      -6.804374     -5.347986     10.418021
  O      -7.089560     -6.311761     11.084434
  C      -6.918983     -3.878371     10.894660
  O      -6.694956     -2.954858     10.168365
  Cl     -7.366437     -3.721965     12.601331
  C      -4.783098     -5.631586      7.113416
  H      -1.600762     -1.172518      2.153275
  H      -2.276835      1.212960      1.815008
  H      -5.767807     -2.290694      2.296468
  H      -8.466714     -6.498646      3.564737
  H     -10.364809     -5.507804      4.813813
  H      -6.311124     -2.854681      4.212462
  H      -1.378825     -5.699018      7.139897
  H      -1.800825     -5.597655      9.599297
  H      -5.638270     -5.635665      6.436141
  N      -4.819048     -3.295946      5.228260
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.620260280011
  N      -3.295715     -3.241812      2.576754
  C      -2.713379     -3.940706      1.419906
  C      -2.372544     -5.365543      1.802619
  N      -3.506166     -5.984299      2.539841
  C      -4.660025     -6.326607      1.671103
  C      -5.915149     -6.365862      2.523127
  N      -5.955354     -5.153448      3.338315
  Mo     -4.194736     -4.355825      3.980130
  N      -3.290771     -5.629209      5.213845
  C      -2.411050     -6.655478      4.631488
  C      -3.057819     -7.150364      3.348720
  H      -2.289132     -7.496014      5.331130
  H      -1.403403     -6.249282      4.436297
  H      -3.949193     -7.737124      3.604425
  H      -2.377912     -7.788410      2.759372
  H      -6.798526     -6.418133      1.867035
  H      -5.941504     -7.266712      3.163656
  H      -4.763381     -5.528755      0.923688
  H      -4.479172     -7.277148      1.141303
  H      -1.793171     -3.436095      1.078733
  H      -3.422945     -3.902865      0.573121
  H      -1.511174     -5.357511      2.485920
  H      -2.101874     -5.967778      0.918740
  C      -3.633872     -1.891405      2.304863
  C      -2.646922     -0.902455      2.144111
  C      -3.007816      0.431361      1.961336
  C      -4.355811      0.771276      1.959549
  F      -4.699642      2.072740      1.822126
  C      -5.364350     -0.189597      2.084146
  C      -6.810921      0.117046      2.144338
  O      -7.680287     -0.711255      1.918696
  C      -7.303389      1.505669      2.613271
  O      -7.990970      2.218821      1.926599
  C      -6.879931      1.861710      4.064138
  O      -5.865192      1.450815      4.544890
  Cl     -7.992253      2.963063      4.873159
  C      -4.977493     -1.527855      2.220428
  C      -7.212228     -4.717723      3.790781
  C      -8.384958     -5.480919      3.944533
  C      -9.448523     -4.944056      4.681557
  C      -9.337630     -3.701685      5.307236
  F     -10.331278     -3.302804      6.130193
  C      -8.194181     -2.913901      5.131830
  C      -7.753287     -1.674340      5.878275
  O      -8.520446     -0.745318      6.143019
  C      -6.322156     -1.648027      6.208285
  O      -5.579444     -2.904334      6.232225
  C      -5.733732     -0.610802      6.973901
  O      -6.170626      0.439299      7.354196
  Cl     -3.895397     -0.983741      7.398850
  C      -7.251527     -3.402502      4.247772
  C      -3.483942     -5.663967      6.613695
  C      -2.399825     -5.694876      7.512579
  C      -2.618328     -5.635292      8.887204
  C      -3.922314     -5.549448      9.359379
  F      -4.122766     -5.442752     10.694452
  C      -5.026205     -5.564145      8.496930
  C      -6.426267     -5.457568      8.943543
  O      -7.389492     -5.463211      8.187250
  C      -6.788882     -5.371690     10.434996
  O      -7.068039     -6.342329     11.093978
  C      -6.900726     -3.906926     10.926809
  O      -6.683837     -2.975987     10.207938
  Cl     -7.332265     -3.767913     12.639152
  C      -4.781258     -5.635619      7.120447
  H      -1.591783     -1.172443      2.209406
  H      -2.257215      1.214704      1.856873
  H      -5.762438     -2.280786      2.292744
  H      -8.454918     -6.509252      3.587987
  H     -10.355032     -5.528664      4.843122
  H      -6.334171     -2.825684      4.193838
  H      -1.377294     -5.714516      7.132953
  H      -1.788920     -5.621780      9.594091
  H      -5.639559     -5.635630      6.447183
  N      -4.841021     -3.305908      5.230836
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.621445074550
  N      -3.294820     -3.238904      2.600029
  C      -2.720253     -3.932793      1.435950
  C      -2.380372     -5.359968      1.808540
  N      -3.514700     -5.982717      2.541686
  C      -4.666119     -6.324521      1.669984
  C      -5.922759     -6.365227      2.519984
  N      -5.961669     -5.154630      3.337955
  Mo     -4.207344     -4.361749      3.986136
  N      -3.296098     -5.633132      5.214759
  C      -2.415503     -6.656240      4.629084
  C      -3.064804     -7.150001      3.347526
  H      -2.290455     -7.497786      5.326966
  H      -1.409047     -6.247852      4.432320
  H      -3.955480     -7.737363      3.604457
  H      -2.386001     -7.787127      2.755836
  H      -6.805980     -6.414468      1.863544
  H      -5.950251     -7.267577      3.158231
  H      -4.768567     -5.525876      0.923232
  H      -4.483621     -7.274272      1.139379
  H      -1.801370     -3.427303      1.092477
  H      -3.434575     -3.889016      0.593383
  H      -1.519220     -5.356756      2.492035
  H      -2.109935     -5.956543      0.920808
  C      -3.629195     -1.886220      2.332072
  C      -2.637590     -0.899464      2.187056
  C      -2.991874      0.434807      1.995675
  C      -4.338794      0.777776      1.969020
  F      -4.676433      2.079038      1.817384
  C      -5.351679     -0.180250      2.081275
  C      -6.797901      0.130664      2.116793
  O      -7.666549     -0.699340      1.893420
  C      -7.295137      1.525252      2.561691
  O      -7.965270      2.234391      1.853764
  C      -6.900269      1.897867      4.016590
  O      -5.882049      1.516055      4.513309
  Cl     -8.050008      2.977529      4.803274
  C      -4.970111     -1.519546      2.226759
  C      -7.216424     -4.716965      3.793603
  C      -8.381788     -5.488678      3.962258
  C      -9.445338     -4.957938      4.702811
  C      -9.339811     -3.709730      5.317950
  F     -10.328801     -3.313192      6.147624
  C      -8.206070     -2.913179      5.125327
  C      -7.770020     -1.668363      5.866468
  O      -8.539045     -0.740721      6.130030
  C      -6.337371     -1.639549      6.186039
  O      -5.608900     -2.905382      6.224732
  C      -5.734318     -0.593286      6.925471
  O      -6.160940      0.465827      7.292445
  Cl     -3.890922     -0.968411      7.329474
  C      -7.262695     -3.397379      4.237455
  C      -3.484010     -5.670434      6.614719
  C      -2.396248     -5.708204      7.509212
  C      -2.608394     -5.654311      8.885051
  C      -3.909962     -5.568141      9.363646
  F      -4.104195     -5.468603     10.700296
  C      -5.017639     -5.576044      8.506072
  C      -6.415712     -5.473211      8.960113
  O      -7.382081     -5.464937      8.207876
  C      -6.771594     -5.397770     10.453949
  O      -7.050910     -6.373141     11.105792
  C      -6.882186     -3.937011     10.957430
  O      -6.666944     -3.000484     10.245648
  Cl     -7.309761     -3.811497     12.671974
  C      -4.778977     -5.640724      7.127963
  H      -1.584455     -1.172640      2.269457
  H      -2.237759      1.216083      1.901631
  H      -5.758022     -2.270445      2.286839
  H      -8.443327     -6.520047      3.612983
  H     -10.344759     -5.550171      4.875665
  H      -6.358799     -2.797508      4.174936
  H      -1.375364     -5.729130      7.125252
  H      -1.775701     -5.646386      9.588171
  H      -5.640702     -5.637422      6.459137
  N      -4.863109     -3.315193      5.233075
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.622563370028
  N      -3.295329     -3.237309      2.622377
  C      -2.727006     -3.925401      1.451331
  C      -2.387821     -5.355009      1.813480
  N      -3.522711     -5.981780      2.542803
  C      -4.671600     -6.323097      1.667757
  C      -5.930373     -6.365158      2.514999
  N      -5.968307     -5.156556      3.336240
  Mo     -4.220759     -4.368517      3.991264
  N      -3.302301     -5.637873      5.214796
  C      -2.420365     -6.657862      4.626448
  C      -3.071367     -7.150447      3.345539
  H      -2.292612     -7.500411      5.322617
  H      -1.415002     -6.247249      4.428788
  H      -3.961344     -7.738673      3.603098
  H      -2.393204     -7.786337      2.751751
  H      -6.812971     -6.410965      1.857584
  H      -5.959551     -7.269203      3.150631
  H      -4.772705     -5.523818      0.921451
  H      -4.487374     -7.272194      1.136666
  H      -1.809368     -3.418413      1.106787
  H      -3.445191     -3.875637      0.612316
  H      -1.526614     -5.356871      2.496756
  H      -2.118079     -5.945709      0.921692
  C      -3.625487     -1.882183      2.359353
  C      -2.629092     -0.897971      2.231098
  C      -2.976432      0.436936      2.032400
  C      -4.321895      0.783201      1.981658
  F      -4.652841      2.084381      1.817503
  C      -5.339086     -0.172001      2.081142
  C      -6.784423      0.142802      2.095091
  O      -7.653339     -0.686489      1.868940
  C      -7.283710      1.544426      2.512405
  O      -7.935281      2.249238      1.782875
  C      -6.916399      1.934049      3.969831
  O      -5.896218      1.579655      4.482167
  Cl     -8.101506      2.991508      4.734776
  C      -4.963190     -1.512250      2.233750
  C      -7.221063     -4.717285      3.795399
  C      -8.378725     -5.497493      3.979203
  C      -9.442168     -4.972963      4.723293
  C      -9.342366     -3.719075      5.327845
  F     -10.326665     -3.324949      6.164191
  C      -8.218653     -2.913851      5.118360
  C      -7.788159     -1.663871      5.854406
  O      -8.559342     -0.737933      6.116729
  C      -6.354058     -1.631990      6.164016
  O      -5.637723     -2.905373      6.216650
  C      -5.737990     -0.576459      6.877394
  O      -6.156137      0.490374      7.231814
  Cl     -3.889452     -0.951481      7.259485
  C      -7.274302     -3.393638      4.226811
  C      -3.484673     -5.676308      6.614871
  C      -2.393124     -5.721202      7.504649
  C      -2.598640     -5.670563      8.881591
  C      -3.897564     -5.580774      9.366623
  F      -4.085305     -5.485470     10.704603
  C      -5.009045     -5.580919      8.514008
  C      -6.404685     -5.476373      8.975030
  O      -7.374728     -5.468079      8.227639
  C      -6.754015     -5.419938     10.471229
  O      -7.026011     -6.403926     11.113174
  C      -6.864895     -3.965733     10.993108
  O      -6.653221     -3.019881     10.292655
  Cl     -7.286985     -3.862415     12.710474
  C      -4.777035     -5.642441      7.134632
  H      -1.578336     -1.174674      2.330312
  H      -2.218890      1.216111      1.949533
  H      -5.753930     -2.261087      2.281245
  H      -8.431830     -6.531613      3.636844
  H     -10.334260     -5.572732      4.907444
  H      -6.384884     -2.771272      4.154168
  H      -1.374043     -5.745460      7.116195
  H      -1.762615     -5.668374      9.580765
  H      -5.642245     -5.635137      6.470399
  N      -4.886241     -3.324145      5.234004
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.623641236982
  N      -3.297343     -3.236278      2.644685
  C      -2.733625     -3.917786      1.467287
  C      -2.395324     -5.349798      1.818700
  N      -3.530722     -5.980531      2.544214
  C      -4.677247     -6.320975      1.665859
  C      -5.938397     -6.364394      2.509962
  N      -5.975766     -5.158116      3.334802
  Mo     -4.234928     -4.375501      3.996400
  N      -3.308744     -5.642491      5.214842
  C      -2.424999     -6.658775      4.623884
  C      -3.077678     -7.150441      3.343741
  H      -2.294270     -7.502273      5.318365
  H      -1.420868     -6.245589      4.425311
  H      -3.966820     -7.739729      3.602000
  H      -2.400058     -7.784889      2.747741
  H      -6.820094     -6.406424      1.851161
  H      -5.969563     -7.270400      3.142589
  H      -4.776639     -5.520980      0.920037
  H      -4.491517     -7.269470      1.134267
  H      -1.816959     -3.408790      1.123157
  H      -3.454597     -3.861921      0.630956
  H      -1.533915     -5.357188      2.501528
  H      -2.126654     -5.934497      0.922708
  C      -3.622865     -1.878401      2.387185
  C      -2.621424     -0.897089      2.277062
  C      -2.960462      0.438558      2.070237
  C      -4.303560      0.789003      1.992920
  F      -4.626114      2.090043      1.813983
  C      -5.325743     -0.162457      2.078888
  C      -6.769645      0.157866      2.068350
  O      -7.639037     -0.671475      1.842951
  C      -7.270906      1.565396      2.461630
  O      -7.904213      2.266070      1.711985
  C      -6.932977      1.971019      3.921479
  O      -5.911320      1.646221      4.450012
  Cl     -8.154694      3.003855      4.663490
  C      -4.956749     -1.504122      2.239919
  C      -7.226770     -4.717723      3.798128
  C      -8.376101     -5.506724      3.997541
  C      -9.439016     -4.988620      4.746060
  C      -9.345165     -3.728968      5.339904
  F     -10.324477     -3.337267      6.183213
  C      -8.232155     -2.914837      5.112633
  C      -7.806760     -1.658924      5.841826
  O      -8.580690     -0.735514      6.104340
  C      -6.371228     -1.623229      6.141535
  O      -5.664441     -2.902859      6.208649
  C      -5.742692     -0.557848      6.826959
  O      -6.153078      0.516504      7.167712
  Cl     -3.888800     -0.931485      7.186716
  C      -7.287242     -3.390507      4.217492
  C      -3.485264     -5.681900      6.615094
  C      -2.389778     -5.733251      7.500007
  C      -2.588194     -5.687283      8.878109
  C      -3.884331     -5.596641      9.370172
  F      -4.065195     -5.508068     10.709662
  C      -4.999916     -5.590042      8.523049
  C      -6.393229     -5.489838      8.992408
  O      -7.366796     -5.465508      8.249988
  C      -6.734913     -5.445783     10.491019
  O      -7.003772     -6.435539     11.125316
  C      -6.845973     -3.996722     11.026531
  O      -6.632468     -3.044338     10.335830
  Cl     -7.270044     -3.909594     12.744357
  C      -4.774948     -5.645598      7.142048
  H      -1.573601     -1.177921      2.394172
  H      -2.199000      1.215049      1.999147
  H      -5.750653     -2.250390      2.273928
  H      -8.420720     -6.543369      3.661647
  H     -10.323297     -5.596066      4.942147
  H      -6.413010     -2.746077      4.132383
  H      -1.372598     -5.759731      7.106770
  H      -1.748601     -5.690588      9.573003
  H      -5.643930     -5.635563      6.482832
  N      -4.909577     -3.332070      5.234344
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.624669328124
  N      -3.301030     -3.236618      2.665480
  C      -2.739869     -3.910824      1.482328
  C      -2.402429     -5.345298      1.822912
  N      -3.538322     -5.979844      2.544801
  C      -4.682482     -6.319207      1.662813
  C      -5.946525     -6.363984      2.503115
  N      -5.983809     -5.160260      3.332020
  Mo     -4.249812     -4.383202      4.000547
  N      -3.316009     -5.647843      5.214034
  C      -2.430209     -6.660573      4.620983
  C      -3.083855     -7.151191      3.341077
  H      -2.297014     -7.505048      5.313823
  H      -1.427148     -6.244948      4.422098
  H      -3.972250     -7.741665      3.599452
  H      -2.406415     -7.783985      2.743086
  H      -6.826845     -6.401902      1.842293
  H      -5.980139     -7.272174      3.132362
  H      -4.779707     -5.518493      0.917433
  H      -4.495268     -7.267159      1.130838
  H      -1.823878     -3.399297      1.140258
  H      -3.462357     -3.848825      0.647645
  H      -1.540623     -5.358500      2.504975
  H      -2.135254     -5.923924      0.922618
  C      -3.621321     -1.875836      2.414470
  C      -2.614769     -0.897755      2.323739
  C      -2.944979      0.438890      2.110363
  C      -4.285146      0.793918      2.006920
  F      -4.598696      2.095017      1.815140
  C      -5.312321     -0.153690      2.078166
  C      -6.754227      0.172233      2.044634
  O      -7.624696     -0.655420      1.816023
  C      -7.255310      1.585918      2.412947
  O      -7.868624      2.283208      1.643395
  C      -6.945120      2.006967      3.873980
  O      -5.923069      1.710019      4.417684
  Cl     -8.200001      3.016434      4.593823
  C      -4.950828     -1.496865      2.245830
  C      -7.233263     -4.719328      3.799906
  C      -8.373955     -5.517012      4.015263
  C      -9.436237     -5.005443      4.768251
  C      -9.348658     -3.740406      5.351598
  F     -10.322923     -3.351388      6.201930
  C      -8.246476     -2.917624      5.107295
  C      -7.826974     -1.656223      5.830470
  O      -8.603552     -0.734624      6.090780
  C      -6.390022     -1.615543      6.120290
  O      -5.689517     -2.899150      6.200579
  C      -5.751202     -0.540067      6.778232
  O      -6.156380      0.540012      7.107173
  Cl     -3.891003     -0.908073      7.112105
  C      -7.300927     -3.388938      4.208405
  C      -3.486194     -5.686692      6.614563
  C      -2.386464     -5.744580      7.494087
  C      -2.577200     -5.700970      8.873303
  C      -3.870219     -5.606568      9.372687
  F      -4.043619     -5.521753     10.713491
  C      -4.990108     -5.592531      8.531377
  C      -6.380576     -5.491688      9.008998
  O      -7.358251     -5.462956      8.272231
  C      -6.714750     -5.468199     10.509786
  O      -6.974597     -6.467352     11.133055
  C      -6.829151     -4.026959     11.065097
  O      -6.615351     -3.064541     10.388545
  Cl     -7.256913     -3.964519     12.783023
  C      -4.772829     -5.645444      7.149001
  H      -1.570329     -1.183107      2.458720
  H      -2.179632      1.212594      2.052221
  H      -5.747829     -2.240405      2.265814
  H      -8.410176     -6.555944      3.685516
  H     -10.312480     -5.620466      4.976193
  H      -6.442484     -2.723695      4.108992
  H      -1.371431     -5.775124      7.095679
  H      -1.733843     -5.709737      9.563568
  H      -5.645762     -5.632127      6.495114
  N      -4.933222     -3.339283      5.233507
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.625674232441
  N      -3.306258     -3.237863      2.685593
  C      -2.745568     -3.903966      1.497412
  C      -2.409147     -5.340910      1.827038
  N      -3.545617     -5.979142      2.545218
  C      -4.687494     -6.316901      1.659362
  C      -5.954857     -6.363156      2.495215
  N      -5.992693     -5.162362      3.328672
  Mo     -4.265302     -4.391358      4.004361
  N      -3.323834     -5.653578      5.213142
  C      -2.435698     -6.662517      4.618136
  C      -3.089872     -7.151987      3.338175
  H      -2.300263     -7.508059      5.309278
  H      -1.433641     -6.244411      4.419330
  H      -3.977560     -7.743764      3.596291
  H      -2.412378     -7.782931      2.738256
  H      -6.833321     -6.396611      1.831719
  H      -5.991356     -7.273840      3.120587
  H      -4.782047     -5.515238      0.914616
  H      -4.498942     -7.264258      1.126836
  H      -1.829864     -3.389428      1.159216
  H      -3.468196     -3.835710      0.663231
  H      -1.546859     -5.360319      2.508166
  H      -2.143755     -5.913384      0.922362
  C      -3.620696     -1.873817      2.442158
  C      -2.608901     -0.899431      2.372225
  C      -2.929388      0.438459      2.152945
  C      -4.265833      0.798822      2.022446
  F      -4.569101      2.100019      1.817371
  C      -5.298369     -0.144338      2.078158
  C      -6.737830      0.187707      2.020406
  O      -7.609345     -0.638483      1.789271
  C      -7.238780      1.606934      2.364822
  O      -7.833189      2.299970      1.576401
  C      -6.957555      2.043254      3.826532
  O      -5.935529      1.776349      4.385521
  Cl     -8.247267      3.025323      4.523992
  C      -4.945230     -1.489247      2.252122
  C      -7.240957     -4.721602      3.801627
  C      -8.372486     -5.528089      4.032827
  C      -9.433687     -5.022996      4.791112
  C      -9.352436     -3.752619      5.364209
  F     -10.321516     -3.366193      6.221608
  C      -8.261521     -2.921128      5.102442
  C      -7.847336     -1.653273      5.817571
  O      -8.627019     -0.734238      6.077112
  C      -6.408967     -1.607076      6.098267
  O      -5.712068     -2.893213      6.192455
  C      -5.761047     -0.520796      6.727373
  O      -6.162442      0.564321      7.044469
  Cl     -3.893911     -0.880379      7.032479
  C      -7.315825     -3.388585      4.200123
  C      -3.487346     -5.691473      6.614027
  C      -2.383266     -5.755604      7.487999
  C      -2.565943     -5.714927      8.868344
  C      -3.855666     -5.617862      9.375438
  F      -4.021275     -5.537780     10.717600
  C      -4.980043     -5.596746      8.540312
  C      -6.367561     -5.497439      9.026984
  O      -7.349272     -5.454620      8.296302
  C      -6.693518     -5.490659     10.529860
  O      -6.946640     -6.497487     11.143500
  C      -6.809902     -4.056498     11.102419
  O      -6.590532     -3.085868     10.439674
  Cl     -7.247051     -4.015096     12.818569
  C      -4.770812     -5.645864      7.156400
  H      -1.568378     -1.189875      2.525390
  H      -2.159945      1.208984      2.108539
  H      -5.745418     -2.229696      2.257476
  H      -8.400481     -6.569055      3.708684
  H     -10.301623     -5.645469      5.011215
  H      -6.473690     -2.703909      4.084156
  H      -1.370496     -5.789929      7.084200
  H      -1.718664     -5.729104      9.553712
  H      -5.647882     -5.629836      6.508156
  N      -4.956698     -3.345732      5.231742
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.626644465379
  N      -3.312803     -3.240232      2.704191
  C      -2.750433     -3.897546      1.511757
  C      -2.415244     -5.337051      1.830411
  N      -3.552386     -5.978821      2.544868
  C      -4.692087     -6.314493      1.654928
  C      -5.963115     -6.362400      2.485799
  N      -6.002127     -5.164869      3.324233
  Mo     -4.280915     -4.400130      4.007380
  N      -3.332067     -5.660119      5.211733
  C      -2.441576     -6.665395      4.614975
  C      -3.095736     -7.153378      3.334453
  H      -2.304474     -7.512164      5.304343
  H      -1.440304     -6.245068      4.416811
  H      -3.982881     -7.746463      3.591743
  H      -2.417948     -7.782337      2.732753
  H      -6.839273     -6.391143      1.819043
  H      -6.002845     -7.275846      3.106852
  H      -4.783549     -5.511623      0.911064
  H      -4.502323     -7.261163      1.121635
  H      -1.834577     -3.379655      1.179268
  H      -3.471775     -3.822887      0.676902
  H      -1.552396     -5.362992      2.510434
  H      -2.151914     -5.903364      0.921329
  C      -3.620985     -1.872705      2.469468
  C      -2.604213     -0.902150      2.421556
  C      -2.914651      0.437215      2.197911
  C      -4.246719      0.803266      2.040645
  F      -4.539134      2.104666      1.823457
  C      -5.284507     -0.135282      2.079848
  C      -6.721022      0.203053      1.997931
  O      -7.593593     -0.620973      1.761908
  C      -7.221158      1.627335      2.319740
  O      -7.795341      2.316981      1.513128
  C      -6.968272      2.077891      3.781524
  O      -5.946776      1.841195      4.354779
  Cl     -8.291110      3.032120      4.457077
  C      -4.940123     -1.482110      2.258699
  C      -7.249485     -4.725135      3.802701
  C      -8.371649     -5.540069      4.050393
  C      -9.431409     -5.041325      4.814289
  C      -9.356522     -3.766101      5.377472
  F     -10.320203     -3.382412      6.242127
  C      -8.276889     -2.926336      5.098751
  C      -7.867987     -1.652195      5.805912
  O      -8.650411     -0.734746      6.062269
  C      -6.428212     -1.599434      6.077043
  O      -5.731680     -2.886176      6.184524
  C      -5.772581     -0.501943      6.676413
  O      -6.172034      0.586733      6.983934
  Cl     -3.897160     -0.848955      6.945076
  C      -7.331412     -3.389880      4.192663
  C      -3.488695     -5.696066      6.613094
  C      -2.380186     -5.766306      7.481298
  C      -2.554558     -5.727250      8.862723
  C      -3.840804     -5.626057      9.377588
  F      -3.998395     -5.549112     10.720967
  C      -4.969695     -5.597678      8.548771
  C      -6.353951     -5.497053      9.044429
  O      -7.339879     -5.444412      8.320098
  C      -6.672076     -5.509578     10.548944
  O      -6.916231     -6.525186     11.151752
  C      -6.792044     -4.083606     11.140602
  O      -6.565734     -3.103866     10.493823
  Cl     -7.242561     -4.065964     12.853648
  C      -4.768790     -5.644807      7.163469
  H      -1.568013     -1.197936      2.592730
  H      -2.141253      1.204461      2.168200
  H      -5.743313     -2.219340      2.248845
  H      -8.391768     -6.582960      3.731840
  H     -10.290835     -5.671052      5.046675
  H      -6.505657     -2.687671      4.058282
  H      -1.369818     -5.805332      7.071957
  H      -1.703315     -5.746714      9.543047
  H      -5.650019     -5.625816      6.520974
  N      -4.979279     -3.351668      5.229050
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.627586353821
  N      -3.320799     -3.243584      2.721391
  C      -2.754914     -3.891481      1.525405
  C      -2.421056     -5.333595      1.833129
  N      -3.558852     -5.978778      2.543948
  C      -4.696545     -6.311946      1.649852
  C      -5.971471     -6.361671      2.475338
  N      -6.012231     -5.167670      3.319086
  Mo     -4.296717     -4.409424      4.009776
  N      -3.340646     -5.667233      5.210043
  C      -2.447747     -6.668866      4.611633
  C      -3.101478     -7.155134      3.330162
  H      -2.309378     -7.517002      5.299141
  H      -1.447105     -6.246478      4.414536
  H      -3.988163     -7.749573      3.586223
  H      -2.423190     -7.781976      2.726793
  H      -6.844937     -6.385550      1.804837
  H      -6.014693     -7.278088      3.091698
  H      -4.784606     -5.507609      0.907139
  H      -4.505722     -7.257826      1.115541
  H      -1.838535     -3.369980      1.200218
  H      -3.473726     -3.810287      0.688870
  H      -1.557510     -5.366290      2.511803
  H      -2.160091     -5.893779      0.919638
  C      -3.622141     -1.872272      2.496695
  C      -2.600450     -0.906024      2.471982
  C      -2.900247      0.435117      2.245444
  C      -4.227225      0.807612      2.061730
  F      -4.507834      2.109372      1.833334
  C      -5.270432     -0.125835      2.083726
  C      -6.703497      0.219207      1.977406
  O      -7.577167     -0.602295      1.735532
  C      -7.202242      1.648233      2.277424
  O      -7.756539      2.334297      1.453583
  C      -6.978291      2.112239      3.738876
  O      -5.958099      1.906535      4.326123
  Cl     -8.335020      3.034500      4.393290
  C      -4.935448     -1.474812      2.266164
  C      -7.259012     -4.729891      3.803535
  C      -8.371150     -5.553538      4.067117
  C      -9.428974     -5.061141      4.837516
  C      -9.360486     -3.781246      5.391448
  F     -10.318664     -3.400496      6.263475
  C      -8.292496     -2.933011      5.095812
  C      -7.888476     -1.651875      5.793458
  O      -8.673974     -0.736614      6.047799
  C      -6.447354     -1.592002      6.055450
  O      -5.748673     -2.877806      6.176633
  C      -5.785042     -0.482739      6.623562
  O      -6.183473      0.608907      6.922068
  Cl     -3.901414     -0.815622      6.852038
  C      -7.347876     -3.392988      4.186079
  C      -3.490108     -5.700578      6.611964
  C      -2.377140     -5.776575      7.474289
  C      -2.543025     -5.738704      8.856758
  C      -3.825653     -5.633292      9.379510
  F      -3.975076     -5.559104     10.724028
  C      -4.959093     -5.597952      8.557157
  C      -6.339926     -5.495789      9.062023
  O      -7.329979     -5.429904      8.344395
  C      -6.650148     -5.525555     10.567922
  O      -6.885558     -6.549054     11.160889
  C      -6.774145     -4.107392     11.176898
  O      -6.537937     -3.119651     10.546086
  Cl     -7.242737     -4.111351     12.885109
  C      -4.766715     -5.643457      7.170472
  H      -1.569035     -1.207703      2.660828
  H      -2.122849      1.198747      2.231210
  H      -5.741610     -2.208481      2.240507
  H      -8.383619     -6.598039      3.753338
  H     -10.279671     -5.697977      5.082233
  H      -6.538696     -2.675097      4.031248
  H      -1.369276     -5.820486      7.059314
  H      -1.687781     -5.763240      9.531903
  H      -5.652144     -5.621786      6.533860
  N      -5.001123     -3.357150      5.225511
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.628484600449
  N      -3.330333     -3.247960      2.736042
  C      -2.759045     -3.886216      1.537503
  C      -2.426579     -5.330855      1.834880
  N      -3.564953     -5.979204      2.542320
  C      -4.700743     -6.309921      1.644138
  C      -5.979661     -6.361634      2.463972
  N      -6.022896     -5.171123      3.312794
  Mo     -4.312568     -4.418927      4.011007
  N      -3.349521     -5.674445      5.207754
  C      -2.454078     -6.672530      4.608095
  C      -3.106962     -7.157219      3.325428
  H      -2.314789     -7.521994      5.293862
  H      -1.453947     -6.248213      4.412389
  H      -3.993221     -7.753059      3.580007
  H      -2.427917     -7.781906      2.720668
  H      -6.850106     -6.380990      1.789356
  H      -6.026359     -7.280973      3.075662
  H      -4.785307     -5.504112      0.902603
  H      -4.508849     -7.255030      1.108851
  H      -1.841782     -3.361011      1.221047
  H      -3.474069     -3.798655      0.698270
  H      -1.562239     -5.370160      2.512022
  H      -2.168179     -5.885258      0.917206
  C      -3.624239     -1.872740      2.522169
  C      -2.597788     -0.911202      2.521611
  C      -2.886218      0.431963      2.293524
  C      -4.207281      0.811736      2.083864
  F      -4.475159      2.114076      1.845625
  C      -5.256050     -0.116018      2.087868
  C      -6.684937      0.236914      1.957408
  O      -7.560130     -0.580980      1.707839
  C      -7.180817      1.670414      2.238448
  O      -7.713516      2.354802      1.398663
  C      -6.985551      2.145497      3.699578
  O      -5.967773      1.969427      4.300380
  Cl     -8.374243      3.035549      4.333374
  C      -4.931297     -1.467561      2.272521
  C      -7.269332     -4.736349      3.803483
  C      -8.371146     -5.568290      4.084319
  C      -9.426567     -5.082118      4.861488
  C      -9.364513     -3.798112      5.406242
  F     -10.316788     -3.420394      6.285992
  C      -8.308337     -2.941826      5.093899
  C      -7.909508     -1.653944      5.782142
  O      -8.698324     -0.740869      6.033679
  C      -6.467371     -1.585729      6.034898
  O      -5.763364     -2.868500      6.168595
  C      -5.800765     -0.464514      6.572315
  O      -6.199756      0.629329      6.862143
  Cl     -3.910120     -0.782583      6.763484
  C      -7.365048     -3.397945      4.179809
  C      -3.491607     -5.704046      6.610319
  C      -2.374131     -5.785114      7.466631
  C      -2.531382     -5.747289      8.850078
  C      -3.810275     -5.637130      9.380722
  F      -3.951415     -5.564480     10.726238
  C      -4.948262     -5.595326      8.564907
  C      -6.325462     -5.490457      9.078986
  O      -7.319655     -5.412579      8.368272
  C      -6.628112     -5.538801     10.585836
  O      -6.853234     -6.570733     11.168214
  C      -6.757537     -4.129286     11.213121
  O      -6.510005     -3.133168     10.600079
  Cl     -7.248157     -4.156413     12.914844
  C      -4.764596     -5.640467      7.176936
  H      -1.571630     -1.219311      2.727836
  H      -2.104758      1.191549      2.295561
  H      -5.740472     -2.197196      2.230384
  H      -8.376229     -6.614477      3.775906
  H     -10.268141     -5.725950      5.119017
  H      -6.572431     -2.666536      4.002783
  H      -1.368886     -5.834336      7.045951
  H      -1.672133     -5.776395      9.519950
  H      -5.654219     -5.616514      6.546272
  N      -5.022081     -3.361761      5.220879
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.629346286099
  N      -3.341874     -3.253499      2.747781
  C      -2.763886     -3.882099      1.547511
  C      -2.432496     -5.329034      1.835354
  N      -3.571099     -5.980202      2.540173
  C      -4.705273     -6.308820      1.638300
  C      -5.988086     -6.362439      2.452567
  N      -6.034249     -5.175143      3.306105
  Mo     -4.328675     -4.428545      4.011247
  N      -3.358634     -5.681438      5.205071
  C      -2.460438     -6.676028      4.604505
  C      -3.112205     -7.159537      3.320572
  H      -2.320322     -7.526680      5.288729
  H      -1.460802     -6.249786      4.410277
  H      -3.997895     -7.756955      3.573708
  H      -2.432164     -7.782001      2.714643
  H      -6.855359     -6.377711      1.773700
  H      -6.038140     -7.284517      3.059822
  H      -4.786478     -5.501714      0.897794
  H      -4.512375     -7.253292      1.102239
  H      -1.845625     -3.353110      1.240576
  H      -3.474329     -3.788603      0.704947
  H      -1.567043     -5.374495      2.510523
  H      -2.177070     -5.878193      0.913765
  C      -3.627390     -1.874134      2.545691
  C      -2.595859     -0.918355      2.569859
  C      -2.871977      0.427280      2.342250
  C      -4.186457      0.815744      2.108197
  F      -4.440501      2.119128      1.862473
  C      -5.241244     -0.105406      2.093597
  C      -6.665363      0.256483      1.939899
  O      -7.542642     -0.556978      1.682274
  C      -7.156642      1.694597      2.202811
  O      -7.667754      2.377721      1.348243
  C      -6.989298      2.179572      3.663148
  O      -5.974778      2.031850      4.276757
  Cl     -8.408354      3.036296      4.277528
  C      -4.927763     -1.459851      2.278540
  C      -7.280667     -4.744318      3.803287
  C      -8.371032     -5.585468      4.099649
  C      -9.423701     -5.105631      4.884449
  C      -9.368275     -3.817473      5.420910
  F     -10.314749     -3.443241      6.308371
  C      -8.324322     -2.952466      5.092252
  C      -7.930844     -1.657280      5.769925
  O      -8.723513     -0.747023      6.019327
  C      -6.487856     -1.579889      6.014470
  O      -5.776079     -2.857862      6.160312
  C      -5.819751     -0.446304      6.522335
  O      -6.221120      0.649364      6.802048
  Cl     -3.923516     -0.748935      6.683370
  C      -7.383127     -3.405089      4.174044
  C      -3.492858     -5.706197      6.608359
  C      -2.370753     -5.791422      7.458473
  C      -2.519136     -5.752768      8.842852
  C      -3.794161     -5.637952      9.381525
  F      -3.926827     -5.566023     10.727931
  C      -4.936784     -5.590627      8.572429
  C      -6.310186     -5.483106      9.095937
  O      -7.308519     -5.392271      8.392519
  C      -6.605199     -5.549758     10.603440
  O      -6.818334     -6.590082     11.175465
  C      -6.742732     -4.149223     11.248419
  O      -6.483349     -3.144892     10.653971
  Cl     -7.258719     -4.199600     12.941982
  C      -4.762093     -5.636185      7.183214
  H      -1.575407     -1.233949      2.792380
  H      -2.086157      1.182104      2.361150
  H      -5.740240     -2.184672      2.219490
  H      -8.368727     -6.632874      3.795182
  H     -10.255980     -5.756348      5.154504
  H      -6.607189     -2.662268      3.972729
  H      -1.368250     -5.846030      7.031971
  H      -1.655809     -5.785760      9.507291
  H      -5.655987     -5.610779      6.558663
  N      -5.042362     -3.365393      5.215156
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.630144638473
  N      -3.354886     -3.259682      2.755991
  C      -2.769088     -3.879031      1.555030
  C      -2.438385     -5.327901      1.834673
  N      -3.576889     -5.981666      2.537459
  C      -4.709512     -6.309050      1.632341
  C      -5.995949     -6.364855      2.441196
  N      -6.045976     -5.180202      3.298275
  Mo     -4.344501     -4.437825      4.010072
  N      -3.367667     -5.687687      5.201793
  C      -2.466375     -6.678676      4.600822
  C      -3.116750     -7.161744      3.315743
  H      -2.325328     -7.530243      5.283826
  H      -1.467317     -6.250328      4.408046
  H      -4.001678     -7.760949      3.567581
  H      -2.435407     -7.781976      2.709001
  H      -6.859970     -6.377261      1.758046
  H      -6.048726     -7.289231      3.044702
  H      -4.787801     -5.501037      0.892509
  H      -4.515317     -7.253073      1.095942
  H      -1.849786     -3.346264      1.258078
  H      -3.474275     -3.780378      0.708574
  H      -1.571710     -5.378605      2.507751
  H      -2.185896     -5.872617      0.909698
  C      -3.631176     -1.876158      2.566059
  C      -2.594377     -0.927025      2.614861
  C      -2.857306      0.421374      2.389253
  C      -4.164537      0.819780      2.132459
  F      -4.403681      2.124489      1.880673
  C      -5.225720     -0.093814      2.099142
  C      -6.644397      0.278448      1.923103
  O      -7.524264     -0.529467      1.656151
  C      -7.129584      1.721042      2.170766
  O      -7.617461      2.404862      1.302830
  C      -6.990314      2.213121      3.630660
  O      -5.980203      2.091839      4.256955
  Cl     -8.437592      3.037417      4.225615
  C      -4.924512     -1.451535      2.282874
  C      -7.292483     -4.754445      3.801957
  C      -8.371505     -5.603422      4.117659
  C      -9.420617     -5.129484      4.910228
  C      -9.371469     -3.838009      5.437668
  F     -10.311051     -3.466830      6.333674
  C      -8.340039     -2.965400      5.091937
  C      -7.952013     -1.663336      5.759334
  O      -8.748886     -0.756220      6.006586
  C      -6.508542     -1.575386      5.995090
  O      -5.786413     -2.846594      6.151327
  C      -5.841977     -0.429452      6.475671
  O      -6.247985      0.667040      6.745488
  Cl     -3.940716     -0.714483      6.610638
  C      -7.401638     -3.413851      4.167985
  C      -3.494076     -5.706662      6.605790
  C      -2.367513     -5.794695      7.449933
  C      -2.507402     -5.754390      8.835135
  C      -3.778725     -5.635448      9.381392
  F      -3.903316     -5.563287     10.728515
  C      -4.925764     -5.583944      8.578705
  C      -6.295449     -5.474075      9.111202
  O      -7.297698     -5.371001      8.414979
  C      -6.583583     -5.559758     10.618843
  O      -6.782976     -6.608792     11.179995
  C      -6.731723     -4.168976     11.281882
  O      -6.460676     -3.156147     10.707398
  Cl     -7.275110     -4.243973     12.965872
  C      -4.759683     -5.630692      7.188395
  H      -1.579964     -1.250999      2.852394
  H      -2.066826      1.170688      2.425006
  H      -5.740614     -2.170724      2.206875
  H      -8.362188     -6.652606      3.819499
  H     -10.242906     -5.786898      5.194245
  H      -6.642232     -2.662062      3.941180
  H      -1.367677     -5.854292      7.017887
  H      -1.640192     -5.790198      9.494364
  H      -5.657621     -5.604711      6.569674
  N      -5.061289     -3.368155      5.208003
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.630898028273
  N      -3.370184     -3.266831      2.761398
  C      -2.776311     -3.877182      1.560213
  C      -2.445649     -5.327688      1.832619
  N      -3.583455     -5.983742      2.534465
  C      -4.714927     -6.310595      1.626844
  C      -6.004498     -6.368431      2.430992
  N      -6.058519     -5.185907      3.291104
  Mo     -4.360875     -4.447149      4.008293
  N      -3.376995     -5.693445      5.198460
  C      -2.472441     -6.680840      4.597167
  C      -3.121418     -7.164087      3.311100
  H      -2.330170     -7.533084      5.279197
  H      -1.474088     -6.250238      4.405545
  H      -4.005263     -7.765367      3.562014
  H      -2.438621     -7.782014      2.703647
  H      -6.865475     -6.378665      1.743861
  H      -6.059524     -7.294796      3.031252
  H      -4.790883     -5.501980      0.887427
  H      -4.519507     -7.254328      1.090343
  H      -1.856146     -3.340642      1.273063
  H      -3.476194     -3.773998      0.709841
  H      -1.577325     -5.382811      2.503082
  H      -2.196495     -5.868639      0.904578
  C      -3.635985     -1.878961      2.584610
  C      -2.593256     -0.937976      2.658318
  C      -2.841915      0.413715      2.437504
  C      -4.141347      0.823848      2.160237
  F      -4.364544      2.130595      1.906031
  C      -5.209471     -0.081012      2.107100
  C      -6.621984      0.303061      1.909476
  O      -7.505241     -0.498176      1.632974
  C      -7.098727      1.750561      2.142315
  O      -7.562386      2.435796      1.261860
  C      -6.986800      2.248556      3.601458
  O      -5.981832      2.152033      4.239905
  Cl     -8.460451      3.040452      4.177814
  C      -4.921812     -1.442341      2.287250
  C      -7.305607     -4.766142      3.801355
  C      -8.371111     -5.625718      4.130672
  C      -9.416686     -5.158318      4.932319
  C      -9.374482     -3.862859      5.452833
  F     -10.307946     -3.496141      6.357060
  C      -8.356249     -2.980508      5.091237
  C      -7.974176     -1.670779      5.747097
  O      -8.775755     -0.767053      5.991552
  C      -6.530146     -1.571532      5.975316
  O      -5.795969     -2.834576      6.142279
  C      -5.867651     -0.412955      6.430025
  O      -6.280061      0.683820      6.689026
  Cl     -3.961939     -0.678876      6.542672
  C      -7.421562     -3.425617      4.162782
  C      -3.494978     -5.705598      6.603233
  C      -2.363709     -5.795221      7.441091
  C      -2.494728     -5.752221      8.827075
  C      -3.762189     -5.629319      9.381154
  F      -3.878337     -5.555733     10.728882
  C      -4.913862     -5.574927      8.585179
  C      -6.279583     -5.462546      9.127016
  O      -7.285914     -5.347540      8.438452
  C      -6.560580     -5.566865     10.634531
  O      -6.744337     -6.624436     11.185149
  C      -6.721783     -4.186176     11.314883
  O      -6.440093     -3.164956     10.760749
  Cl     -7.293083     -4.285980     12.988272
  C      -4.756792     -5.623900      7.193815
  H      -1.585298     -1.271740      2.909374
  H      -2.046348      1.156561      2.490856
  H      -5.742051     -2.154788      2.193899
  H      -8.354268     -6.675568      3.834898
  H     -10.229074     -5.822510      5.228778
  H      -6.678681     -2.666694      3.908576
  H      -1.366683     -5.859670      7.003287
  H      -1.623467     -5.789859      9.480854
  H      -5.658896     -5.598159      6.581142
  N      -5.080067     -3.370175      5.200229
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.631557962720
  N      -3.386163     -3.273727      2.763521
  C      -2.783839     -3.875805      1.562943
  C      -2.452523     -5.327498      1.829659
  N      -3.589266     -5.986047      2.530847
  C      -4.719282     -6.313920      1.621060
  C      -6.011599     -6.374678      2.420680
  N      -6.071054     -5.193435      3.281917
  Mo     -4.376593     -4.455793      4.004796
  N      -3.386044     -5.697924      5.194428
  C      -2.477662     -6.681356      4.593386
  C      -3.124826     -7.165856      3.306589
  H      -2.333711     -7.533878      5.274844
  H      -1.480271     -6.247966      4.402806
  H      -4.007283     -7.769560      3.556770
  H      -2.440120     -7.781445      2.698927
  H      -6.869577     -6.384825      1.729689
  H      -6.067589     -7.302377      3.018811
  H      -4.793789     -5.505297      0.881502
  H      -4.521762     -7.257540      1.085089
  H      -1.863014     -3.335474      1.285331
  H      -3.478249     -3.769169      0.708465
  H      -1.582673     -5.385621      2.497771
  H      -2.206054     -5.865536      0.899243
  C      -3.640847     -1.881731      2.599849
  C      -2.592137     -0.949623      2.697790
  C      -2.825944      0.405408      2.482615
  C      -4.117080      0.828161      2.186425
  F      -4.323559      2.137038      1.930569
  C      -5.192359     -0.067106      2.113967
  C      -6.598139      0.330009      1.895951
  O      -7.485065     -0.463503      1.608486
  C      -7.065386      1.782203      2.117152
  O      -7.503222      2.470803      1.225765
  C      -6.982057      2.283083      3.576195
  O      -5.983732      2.209325      4.227645
  Cl     -8.480967      3.042661      4.133055
  C      -4.918919     -1.432230      2.289629
  C      -7.318480     -4.780837      3.798568
  C      -8.371873     -5.646823      4.151342
  C      -9.412476     -5.184614      4.961539
  C      -9.376245     -3.886592      5.472100
  F     -10.301149     -3.522287      6.386044
  C      -8.371590     -2.997700      5.091886
  C      -7.995225     -1.680956      5.736586
  O      -8.801821     -0.781303      5.979457
  C      -6.551260     -1.569422      5.955981
  O      -5.803885     -2.822884      6.131564
  C      -5.894844     -0.398874      6.387747
  O      -6.315014      0.697125      6.637600
  Cl     -3.985040     -0.644700      6.479888
  C      -7.441292     -3.438369      4.155807
  C      -3.496246     -5.702882      6.599797
  C      -2.360725     -5.792410      7.432037
  C      -2.483860     -5.746398      8.818646
  C      -3.747952     -5.620923      9.379592
  F      -3.856661     -5.545523     10.727748
  C      -4.903760     -5.565312      8.589559
  C      -6.265900     -5.451714      9.139789
  O      -7.275863     -5.325360      8.458425
  C      -6.540795     -5.574613     10.646699
  O      -6.708391     -6.640526     11.186527
  C      -6.716658     -4.204493     11.344065
  O      -6.425356     -3.174913     10.810789
  Cl     -7.316021     -4.329610     13.005918
  C      -4.754710     -5.616720      7.197334
  H      -1.590820     -1.293804      2.961046
  H      -2.025089      1.141107      2.552975
  H      -5.743599     -2.137184      2.179635
  H      -8.348270     -6.698972      3.864470
  H     -10.213651     -5.855076      5.273942
  H      -6.714799     -2.674619      3.874310
  H      -1.366194     -5.860581      6.989152
  H      -1.608987     -5.784536      9.467566
  H      -5.660476     -5.592125      6.590014
  N      -5.097520     -3.371931      5.190644
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.632180008279
  N      -3.405071     -3.281774      2.762341
  C      -2.794679     -3.876235      1.562673
  C      -2.461751     -5.328659      1.825033
  N      -3.596521     -5.989249      2.527265
  C      -4.725606     -6.319438      1.616473
  C      -6.019912     -6.382651      2.412774
  N      -6.084556     -5.201831      3.274400
  Mo     -4.393374     -4.464370      4.000777
  N      -3.395551     -5.701233      5.190579
  C      -2.482992     -6.680659      4.589975
  C      -3.128521     -7.167666      3.302921
  H      -2.336607     -7.532916      5.271382
  H      -1.486888     -6.244081      4.399714
  H      -4.009016     -7.774237      3.553224
  H      -2.441764     -7.780880      2.695190
  H      -6.875366     -6.393626      1.718539
  H      -6.076225     -7.311173      3.009644
  H      -4.799615     -5.511438      0.876178
  H      -4.526075     -7.263275      1.081576
  H      -1.873594     -3.332120      1.293632
  H      -3.484091     -3.767132      0.704426
  H      -1.589771     -5.388548      2.490099
  H      -2.218506     -5.864769      0.892685
  C      -3.646946     -1.885474      2.612517
  C      -2.591153     -0.964181      2.734198
  C      -2.808486      0.394596      2.526913
  C      -4.090753      0.832249      2.214507
  F      -4.279198      2.143986      1.960756
  C      -5.174118     -0.051653      2.122481
  C      -6.572322      0.360924      1.886118
  O      -7.464468     -0.423019      1.588167
  C      -7.026513      1.818519      2.097047
  O      -7.436297      2.512133      1.195859
  C      -6.970397      2.320796      3.555828
  O      -5.979425      2.266829      4.220001
  Cl     -8.491919      3.050379      4.093671
  C      -4.916719     -1.420965      2.291566
  C      -7.333000     -4.797201      3.797368
  C      -8.370887     -5.674470      4.163755
  C      -9.407135     -5.218228      4.983797
  C      -9.378264     -3.915996      5.487178
  F     -10.296369     -3.556203      6.409775
  C      -8.388011     -3.016954      5.090468
  C      -8.018636     -1.692060      5.722288
  O      -8.830825     -0.796090      5.960264
  C      -6.574782     -1.567832      5.936096
  O      -5.812905     -2.810475      6.120742
  C      -5.927304     -0.385445      6.348577
  O      -6.356867      0.709380      6.587539
  Cl     -4.014429     -0.611607      6.431816
  C      -7.463033     -3.455119      4.149541
  C      -3.497114     -5.697519      6.596610
  C      -2.356809     -5.785123      7.422607
  C      -2.471268     -5.734697      8.809802
  C      -3.731711     -5.607132      9.378208
  F      -3.832225     -5.528546     10.726695
  C      -4.892150     -5.552134      8.594769
  C      -6.250313     -5.437709      9.154221
  O      -7.264442     -5.301688      8.480781
  C      -6.518210     -5.579883     10.660327
  O      -6.666631     -6.654284     11.189137
  C      -6.711986     -4.221384     11.374880
  O      -6.413532     -3.182864     10.863399
  Cl     -7.339132     -4.373837     13.024182
  C      -4.751938     -5.607278      7.201682
  H      -1.596881     -1.320524      3.007763
  H      -2.001548      1.121748      2.614387
  H      -5.746808     -2.116835      2.165343
  H      -8.339433     -6.727214      3.879533
  H     -10.197566     -5.895119      5.309437
  H      -6.752958     -2.688163      3.838563
  H      -1.365018     -5.856719      6.974154
  H      -1.592394     -5.771911      9.453356
  H      -5.661681     -5.585089      6.600205
  N      -5.115892     -3.372537      5.180579
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.632730473351
  N      -3.424896     -3.289727      2.756772
  C      -2.806492     -3.877752      1.558739
  C      -2.470827     -5.330274      1.818790
  N      -3.602964     -5.993073      2.522925
  C      -4.730828     -6.328030      1.611808
  C      -6.026557     -6.394484      2.405341
  N      -6.097795     -5.212755      3.264884
  Mo     -4.409442     -4.472115      3.994577
  N      -3.404671     -5.702627      5.185889
  C      -2.487067     -6.677628      4.586571
  C      -3.130421     -7.168849      3.299703
  H      -2.337449     -7.528918      5.268616
  H      -1.492688     -6.237037      4.396311
  H      -4.008401     -7.778847      3.550624
  H      -2.440996     -7.779648      2.692590
  H      -6.879740     -6.408933      1.708243
  H      -6.081574     -7.322867      3.002603
  H      -4.805681     -5.521720      0.869742
  H      -4.528187     -7.272481      1.079117
  H      -1.885597     -3.329712      1.297306
  H      -3.491152     -3.767786      0.696771
  H      -1.596692     -5.389969      2.480958
  H      -2.230167     -5.865650      0.885363
  C      -3.653121     -1.889351      2.620530
  C      -2.589860     -0.979810      2.764112
  C      -2.790476      0.382741      2.566060
  C      -4.063967      0.836269      2.240737
  F      -4.234459      2.151202      1.992034
  C      -5.155646     -0.035423      2.130348
  C      -6.546223      0.393478      1.879064
  O      -7.444337     -0.380130      1.571737
  C      -6.985812      1.856519      2.081542
  O      -7.367784      2.555703      1.172120
  C      -6.955429      2.359070      3.539912
  O      -5.972384      2.321540      4.216498
  Cl     -8.497002      3.061138      4.059346
  C      -4.914637     -1.408905      2.291457
  C      -7.346921     -4.817008      3.793884
  C      -8.370605     -5.700943      4.183967
  C      -9.401041     -5.248493      5.012994
  C      -9.378543     -3.942954      5.505120
  F     -10.287494     -3.584638      6.437341
  C      -8.403016     -3.037389      5.088496
  C      -8.040327     -1.704361      5.706434
  O      -8.858266     -0.812325      5.939535
  C      -6.597389     -1.567486      5.915877
  O      -5.821150     -2.798451      6.107516
  C      -5.960932     -0.374511      6.315127
  O      -6.400942      0.718527      6.543132
  Cl     -4.045967     -0.582428      6.402578
  C      -7.484235     -3.473062      4.140197
  C      -3.498309     -5.689558      6.592410
  C      -2.353635     -5.772916      7.412852
  C      -2.460438     -5.717531      8.800465
  C      -3.717801     -5.589746      9.375383
  F      -3.811160     -5.507497     10.724028
  C      -4.882415     -5.537645      8.597776
  C      -6.237085     -5.424698      9.165566
  O      -7.255059     -5.279902      8.499624
  C      -6.498661     -5.586809     10.670418
  O      -6.626178     -6.669678     11.187589
  C      -6.714102     -4.241122     11.402193
  O      -6.410902     -3.193038     10.913607
  Cl     -7.369863     -4.423154     13.037372
  C      -4.750013     -5.596839      7.204005
  H      -1.602507     -1.348955      3.045661
  H      -1.977199      1.100660      2.669573
  H      -5.750694     -2.094853      2.150919
  H      -8.332059     -6.755993      3.909417
  H     -10.179494     -5.930811      5.355709
  H      -6.790350     -2.705386      3.799907
  H      -1.364209     -5.846494      6.959526
  H      -1.577971     -5.751999      9.439245
  H      -5.663243     -5.578491      6.607673
  N      -5.133259     -3.372761      5.168098
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.633239627201
  N      -3.446783     -3.298271      2.747042
  C      -2.821243     -3.881205      1.550968
  C      -2.481816     -5.333222      1.810625
  N      -3.610362     -5.997820      2.518448
  C      -4.737415     -6.339661      1.608498
  C      -6.033507     -6.409056      2.400883
  N      -6.111300     -5.225090      3.256659
  Mo     -4.425694     -4.479193      3.987330
  N      -3.413759     -5.702094      5.181200
  C      -2.490608     -6.672499      4.583533
  C      -3.131898     -7.169667      3.297594
  H      -2.336699     -7.522023      5.266957
  H      -1.498445     -6.227242      4.392349
  H      -4.006669     -7.783587      3.550224
  H      -2.439580     -7.778114      2.691441
  H      -6.885161     -6.428740      1.701900
  H      -6.086016     -7.336410      3.000046
  H      -4.814583     -5.536073      0.863687
  H      -4.531414     -7.285192      1.078957
  H      -1.901032     -3.329314      1.295503
  H      -3.501979     -3.771836      0.685790
  H      -1.605096     -5.391013      2.469486
  H      -2.243876     -5.869197      0.876849
  C      -3.659764     -1.893822      2.624342
  C      -2.587892     -0.997729      2.787745
  C      -2.770642      0.368697      2.600339
  C      -4.035289      0.839904      2.265792
  F      -4.186878      2.158295      2.024302
  C      -5.136224     -0.017929      2.138687
  C      -6.519003      0.429138      1.876574
  O      -7.424495     -0.332750      1.561396
  C      -6.941706      1.897851      2.073039
  O      -7.295025      2.603806      1.156958
  C      -6.935218      2.399266      3.531166
  O      -5.960098      2.375889      4.219415
  Cl     -8.494221      3.077155      4.032767
  C      -4.912877     -1.395720      2.290138
  C      -7.361413     -4.838660      3.791360
  C      -8.368735     -5.731435      4.200930
  C      -9.393318     -5.282277      5.039492
  C      -9.377724     -3.972324      5.520869
  F     -10.277940     -3.615885      6.462317
  C      -8.417651     -3.058791      5.084523
  C      -8.062012     -1.717059      5.687178
  O      -8.885677     -0.827905      5.911251
  C      -6.620218     -1.567886      5.895104
  O      -5.829751     -2.786715      6.093390
  C      -5.996699     -0.365494      6.287028
  O      -6.448176      0.725135      6.503931
  Cl     -4.080347     -0.555422      6.388552
  C      -7.506275     -3.493674      4.129991
  C      -3.499329     -5.678391      6.588228
  C      -2.350097     -5.754900      7.402969
  C      -2.449192     -5.693192      8.790886
  C      -3.703592     -5.566550      9.372277
  F      -3.789766     -5.479213     10.720922
  C      -4.872536     -5.520082      8.600630
  C      -6.223733     -5.410433      9.176894
  O      -7.245900     -5.259324      8.518645
  C      -6.478660     -5.593339     10.680170
  O      -6.580514     -6.684746     11.185325
  C      -6.722398     -4.262356     11.429141
  O      -6.419107     -3.203432     10.964738
  Cl     -7.406748     -4.478037     13.048591
  C      -4.747986     -5.584451      7.206272
  H      -1.607451     -1.381006      3.074563
  H      -1.950153      1.076099      2.718339
  H      -5.755979     -2.070304      2.137163
  H      -8.322511     -6.788140      3.933887
  H     -10.159848     -5.969632      5.398657
  H      -6.827956     -2.727302      3.759058
  H      -1.362997     -5.829327      6.944727
  H      -1.563039     -5.722755      9.424804
  H      -5.664662     -5.571638      6.615063
  N      -5.150497     -3.372265      5.154460
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.634279039302
  N      -3.463808     -3.300100      2.739834
  C      -2.839680     -3.879725      1.540497
  C      -2.495651     -5.332666      1.796728
  N      -3.618239     -6.002126      2.510761
  C      -4.747023     -6.353049      1.605033
  C      -6.040320     -6.425491      2.402690
  N      -6.122292     -5.238019      3.255707
  Mo     -4.436630     -4.482794      3.985730
  N      -3.420133     -5.707148      5.178028
  C      -2.492791     -6.673531      4.576933
  C      -3.131852     -7.172031      3.289935
  H      -2.334783     -7.523514      5.258898
  H      -1.502663     -6.223733      4.385768
  H      -4.002892     -7.791088      3.542780
  H      -2.436756     -7.776187      2.682747
  H      -6.893818     -6.451612      1.706108
  H      -6.087153     -7.351375      3.004633
  H      -4.830788     -5.552060      0.858068
  H      -4.537902     -7.298946      1.077401
  H      -1.920933     -3.325810      1.284373
  H      -3.522437     -3.769435      0.677044
  H      -1.615217     -5.388042      2.450899
  H      -2.260942     -5.867727      0.861605
  C      -3.661608     -1.890784      2.629828
  C      -2.580578     -1.008324      2.808154
  C      -2.747468      0.362393      2.639803
  C      -4.005579      0.852069      2.308680
  F      -4.141409      2.175078      2.083893
  C      -5.115647      0.008680      2.167564
  C      -6.488549      0.475621      1.888551
  O      -7.395775     -0.271183      1.543813
  C      -6.882674      1.960634      2.022049
  O      -7.154023      2.648613      1.065197
  C      -6.985369      2.501558      3.463215
  O      -6.078736      2.461746      4.238963
  Cl     -8.567412      3.220723      3.813974
  C      -4.909200     -1.374262      2.301518
  C      -7.375824     -4.861313      3.792462
  C      -8.369303     -5.761654      4.216582
  C      -9.388065     -5.313755      5.064089
  C      -9.375400     -4.001567      5.541132
  F     -10.265056     -3.649259      6.494143
  C      -8.427373     -3.081384      5.090257
  C      -8.071300     -1.736741      5.684918
  O      -8.896642     -0.847778      5.904151
  C      -6.631389     -1.587412      5.902265
  O      -5.835100     -2.798166      6.100082
  C      -6.014648     -0.382275      6.296329
  O      -6.470502      0.708393      6.503044
  Cl     -4.099285     -0.568182      6.423046
  C      -7.530423     -3.516064      4.123836
  C      -3.499405     -5.682937      6.587425
  C      -2.345673     -5.755082      7.396014
  C      -2.437309     -5.691201      8.784287
  C      -3.688729     -5.565675      9.372004
  F      -3.767738     -5.473640     10.720552
  C      -4.861989     -5.523893      8.606489
  C      -6.209168     -5.413854      9.191249
  O      -7.236095     -5.259851      8.541017
  C      -6.454466     -5.599749     10.695419
  O      -6.537380     -6.693362     11.199606
  C      -6.719075     -4.274356     11.447262
  O      -6.430142     -3.209532     10.987254
  Cl     -7.404636     -4.505145     13.064605
  C      -4.745287     -5.591651      7.211589
  H      -1.605121     -1.406214      3.092036
  H      -1.919297      1.058802      2.768942
  H      -5.759919     -2.036531      2.137547
  H      -8.316479     -6.819877      3.957267
  H     -10.145011     -6.004580      5.436665
  H      -6.859469     -2.755150      3.733968
  H      -1.360878     -5.827361      6.932548
  H      -1.547616     -5.716870      9.413362
  H      -5.664917     -5.581286      6.624913
  N      -5.160012     -3.377782      5.155197
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.635273215968
  N      -3.481547     -3.299923      2.725715
  C      -2.859239     -3.879580      1.523783
  C      -2.506407     -5.332376      1.780761
  N      -3.620993     -6.009811      2.501593
  C      -4.749664     -6.377420      1.600623
  C      -6.039821     -6.454582      2.404551
  N      -6.130123     -5.260980      3.251794
  Mo     -4.446800     -4.485165      3.980834
  N      -3.425403     -5.708068      5.176119
  C      -2.490608     -6.669809      4.573764
  C      -3.123647     -7.173947      3.285297
  H      -2.327196     -7.518380      5.256136
  H      -1.503665     -6.212807      4.383181
  H      -3.989400     -7.800246      3.538245
  H      -2.422865     -7.773019      2.679786
  H      -6.895576     -6.492244      1.711341
  H      -6.077452     -7.376914      3.012496
  H      -4.843225     -5.581658      0.849099
  H      -4.533334     -7.324257      1.077845
  H      -1.943230     -3.323020      1.263890
  H      -3.545602     -3.772477      0.662882
  H      -1.623129     -5.380007      2.431939
  H      -2.271237     -5.867923      0.846076
  C      -3.670474     -1.887026      2.623146
  C      -2.584782     -1.013002      2.816593
  C      -2.744854      0.361876      2.680590
  C      -4.001122      0.864855      2.365311
  F      -4.135977      2.196006      2.191920
  C      -5.113676      0.030339      2.199636
  C      -6.478379      0.515153      1.913109
  O      -7.400600     -0.223936      1.593489
  C      -6.850334      2.009876      2.019356
  O      -7.056963      2.689219      1.040546
  C      -6.963999      2.591337      3.444749
  O      -6.079884      2.534448      4.245156
  Cl     -8.492474      3.452761      3.707603
  C      -4.916354     -1.357540      2.305715
  C      -7.390121     -4.897313      3.785024
  C      -8.368462     -5.806436      4.223459
  C      -9.383131     -5.359433      5.077626
  C      -9.376044     -4.044814      5.549490
  F     -10.256151     -3.698039      6.513364
  C      -8.440843     -3.116897      5.085074
  C      -8.086861     -1.768901      5.671473
  O      -8.913874     -0.877129      5.873482
  C      -6.649340     -1.617799      5.894394
  O      -5.847942     -2.817317      6.101986
  C      -6.035359     -0.403725      6.264065
  O      -6.491462      0.692013      6.439883
  Cl     -4.119759     -0.585128      6.405790
  C      -7.560667     -3.551605      4.104559
  C      -3.502396     -5.684271      6.588487
  C      -2.345487     -5.746199      7.392990
  C      -2.432642     -5.676810      8.781173
  C      -3.682619     -5.553992      9.372213
  F      -3.757154     -5.451821     10.720005
  C      -4.858906     -5.523363      8.610561
  C      -6.203224     -5.411404      9.200650
  O      -7.234623     -5.266221      8.555446
  C      -6.440055     -5.586302     10.707169
  O      -6.508222     -6.677366     11.219396
  C      -6.718706     -4.259055     11.451172
  O      -6.444945     -3.193090     10.984813
  Cl     -7.389794     -4.490029     13.075294
  C      -4.747115     -5.599084      7.215591
  H      -1.612044     -1.421161      3.095148
  H      -1.914108      1.051332      2.829092
  H      -5.772099     -2.010593      2.131543
  H      -8.305956     -6.866789      3.975814
  H     -10.129712     -6.054162      5.463669
  H      -6.892104     -2.798032      3.700611
  H      -1.361927     -5.813375      6.926223
  H      -1.540625     -5.693697      9.407203
  H      -5.668233     -5.594778      6.631137
  N      -5.172111     -3.384552      5.151219
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.635981402219
  N      -3.496669     -3.296789      2.716940
  C      -2.880137     -3.877113      1.512408
  C      -2.520217     -5.328756      1.769489
  N      -3.627868     -6.011838      2.494657
  C      -4.756189     -6.390194      1.598198
  C      -6.042124     -6.472964      2.407772
  N      -6.137515     -5.276550      3.250899
  Mo     -4.456428     -4.483824      3.978528
  N      -3.432188     -5.708281      5.173146
  C      -2.492587     -6.664150      4.568391
  C      -3.122305     -7.171284      3.279926
  H      -2.323958     -7.512080      5.250085
  H      -1.508929     -6.200189      4.377626
  H      -3.983971     -7.803261      3.532643
  H      -2.417262     -7.765721      2.674987
  H      -6.901095     -6.518880      1.719289
  H      -6.070539     -7.392664      3.019995
  H      -4.857998     -5.597390      0.844404
  H      -4.534465     -7.336983      1.078022
  H      -1.966524     -3.319049      1.247555
  H      -3.571498     -3.772671      0.655355
  H      -1.634518     -5.370847      2.418056
  H      -2.285424     -5.863715      0.834493
  C      -3.672944     -1.881647      2.623724
  C      -2.578291     -1.021565      2.827455
  C      -2.725103      0.356520      2.714829
  C      -3.977232      0.875888      2.409718
  F      -4.100429      2.212015      2.268068
  C      -5.097231      0.054254      2.227710
  C      -6.453561      0.556781      1.933811
  O      -7.396780     -0.175015      1.662154
  C      -6.797356      2.060459      1.990429
  O      -6.971356      2.706856      0.983407
  C      -6.974436      2.685789      3.390640
  O      -6.160567      2.588667      4.258181
  Cl     -8.504196      3.574599      3.551502
  C      -4.914497     -1.336963      2.316151
  C      -7.399412     -4.924203      3.784759
  C      -8.364024     -5.838653      4.242853
  C      -9.369605     -5.392017      5.107943
  C      -9.364835     -4.075471      5.572945
  F     -10.232195     -3.731662      6.549535
  C      -8.443320     -3.142185      5.091340
  C      -8.093357     -1.788857      5.667539
  O      -8.922847     -0.895859      5.854452
  C      -6.659365     -1.637646      5.897303
  O      -5.859978     -2.834465      6.108632
  C      -6.045086     -0.416923      6.245687
  O      -6.499158      0.683156      6.397573
  Cl     -4.128405     -0.596612      6.398809
  C      -7.580787     -3.576745      4.093866
  C      -3.505744     -5.687063      6.586006
  C      -2.345779     -5.742597      7.386012
  C      -2.428879     -5.670223      8.774274
  C      -3.677666     -5.550257      9.368734
  F      -3.747701     -5.441883     10.716089
  C      -4.856722     -5.527153      8.610635
  C      -6.199386     -5.414311      9.204010
  O      -7.233206     -5.275523      8.561295
  C      -6.432859     -5.587286     10.710922
  O      -6.491297     -6.678256     11.224802
  C      -6.722261     -4.261217     11.453066
  O      -6.465511     -3.192704     10.983183
  Cl     -7.393823     -4.496998     13.076907
  C      -4.748898     -5.606098      7.215567
  H      -1.609008     -1.443767      3.097161
  H      -1.887848      1.035516      2.874499
  H      -5.777156     -1.978683      2.134218
  H      -8.295071     -6.901214      4.006832
  H     -10.105493     -6.089254      5.509864
  H      -6.911070     -2.829577      3.675694
  H      -1.363578     -5.805991      6.915923
  H      -1.534853     -5.681685      9.397551
  H      -5.671166     -5.605126      6.632862
  N      -5.183118     -3.389537      5.150970
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.636693975537
  N      -3.510574     -3.294919      2.711357
  C      -2.900853     -3.875278      1.504776
  C      -2.533628     -5.324342      1.761949
  N      -3.634903     -6.012170      2.489685
  C      -4.762170     -6.397875      1.597222
  C      -6.043395     -6.488244      2.411274
  N      -6.142832     -5.291576      3.251403
  Mo     -4.465171     -4.483650      3.976500
  N      -3.438110     -5.708714      5.168633
  C      -2.494289     -6.657148      4.561725
  C      -3.122001     -7.167080      3.274609
  H      -2.319599     -7.504387      5.242565
  H      -1.514343     -6.185724      4.370049
  H      -3.979623     -7.804560      3.527283
  H      -2.413029     -7.756859      2.669732
  H      -6.905896     -6.540887      1.727974
  H      -6.062022     -7.406218      3.026327
  H      -4.871497     -5.606592      0.842735
  H      -4.535469     -7.343874      1.078018
  H      -1.990073     -3.315118      1.234601
  H      -3.597595     -3.774246      0.651816
  H      -1.645837     -5.361488      2.408141
  H      -2.299056     -5.857939      0.826171
  C      -3.675696     -1.879295      2.629261
  C      -2.572324     -1.032910      2.840285
  C      -2.707611      0.347578      2.748316
  C      -3.957187      0.880944      2.454836
  F      -4.068372      2.220264      2.335588
  C      -5.084721      0.070456      2.263154
  C      -6.437436      0.585663      1.977472
  O      -7.391024     -0.135681      1.713038
  C      -6.753246      2.093886      1.972571
  O      -6.873999      2.706230      0.936350
  C      -7.018320      2.756210      3.341008
  O      -6.267894      2.672024      4.264533
  Cl     -8.488302      3.758277      3.337965
  C      -4.913277     -1.322243      2.333248
  C      -7.403583     -4.948978      3.789143
  C      -8.355240     -5.867478      4.267756
  C      -9.349791     -5.422312      5.145447
  C      -9.346935     -4.103794      5.602391
  F     -10.200874     -3.761456      6.591591
  C      -8.440536     -3.165935      5.101896
  C      -8.098608     -1.804692      5.665905
  O      -8.933715     -0.914738      5.842574
  C      -6.668323     -1.649484      5.900303
  O      -5.872824     -2.848776      6.113300
  C      -6.054682     -0.422319      6.228856
  O      -6.508553      0.679587      6.366869
  Cl     -4.136159     -0.598932      6.390077
  C      -7.593031     -3.599144      4.088780
  C      -3.508163     -5.690175      6.579987
  C      -2.345781     -5.740616      7.376459
  C      -2.426431     -5.667061      8.764880
  C      -3.674781     -5.551311      9.361837
  F      -3.741807     -5.440827     10.709112
  C      -4.855718     -5.534253      8.606179
  C      -6.198244     -5.424122      9.200545
  O      -7.232463     -5.287331      8.558038
  C      -6.431681     -5.594528     10.707461
  O      -6.485482     -6.684648     11.223678
  C      -6.731338     -4.268070     11.444501
  O      -6.475957     -3.199448     10.974379
  Cl     -7.389940     -4.504627     13.073870
  C      -4.750088     -5.613235      7.211056
  H      -1.605491     -1.468061      3.098157
  H      -1.864169      1.017219      2.914591
  H      -5.782160     -1.954334      2.147253
  H      -8.281028     -6.931831      4.041401
  H     -10.074508     -6.121869      5.563533
  H      -6.922310     -2.856387      3.657197
  H      -1.364521     -5.800464      6.904009
  H      -1.531153     -5.674654      9.386442
  H      -5.672993     -5.615352      6.629361
  N      -5.194418     -3.395661      5.149966
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.637355116783
  N      -3.530668     -3.291901      2.708973
  C      -2.925820     -3.869057      1.500023
  C      -2.548085     -5.314168      1.756083
  N      -3.641991     -6.008684      2.486318
  C      -4.767805     -6.401887      1.597604
  C      -6.044009     -6.503663      2.415813
  N      -6.149147     -5.308271      3.254396
  Mo     -4.476966     -4.484322      3.975150
  N      -3.443532     -5.706010      5.163450
  C      -2.492869     -6.644009      4.554099
  C      -3.118780     -7.158742      3.269158
  H      -2.308715     -7.490073      5.233943
  H      -1.518015     -6.162803      4.360428
  H      -3.970230     -7.804017      3.522875
  H      -2.405151     -7.742183      2.663327
  H      -6.909921     -6.563837      1.737552
  H      -6.051020     -7.421100      3.032104
  H      -4.885996     -5.611421      0.843649
  H      -4.534938     -7.346142      1.077662
  H      -2.019655     -3.303696      1.224811
  H      -3.627909     -3.772856      0.650861
  H      -1.657832     -5.345184      2.399111
  H      -2.313055     -5.845344      0.818865
  C      -3.687495     -1.876147      2.639331
  C      -2.577267     -1.040105      2.855799
  C      -2.703635      0.342334      2.780131
  C      -3.950717      0.886809      2.494478
  F      -4.053743      2.228503      2.395875
  C      -5.084117      0.085776      2.296484
  C      -6.434208      0.612444      2.022765
  O      -7.399645     -0.099082      1.773931
  C      -6.720173      2.121052      1.931800
  O      -6.752079      2.690701      0.864553
  C      -6.994216      2.856947      3.259539
  O      -6.306067      2.740046      4.226175
  Cl     -8.393213      3.954458      3.156401
  C      -4.921892     -1.308236      2.353943
  C      -7.407956     -4.975814      3.799413
  C      -8.344230     -5.900428      4.297197
  C      -9.328696     -5.459797      5.187492
  C      -9.330924     -4.138433      5.635267
  F     -10.171662     -3.797854      6.636769
  C      -8.442425     -3.194698      5.115204
  C      -8.113056     -1.824180      5.667152
  O      -8.956620     -0.940391      5.834122
  C      -6.685513     -1.659157      5.903294
  O      -5.889983     -2.859890      6.116595
  C      -6.074190     -0.427360      6.214687
  O      -6.528744      0.675110      6.343623
  Cl     -4.153492     -0.601511      6.372932
  C      -7.606099     -3.624384      4.090400
  C      -3.509572     -5.689049      6.573022
  C      -2.344871     -5.732411      7.366873
  C      -2.423461     -5.659703      8.755524
  C      -3.671466     -5.552506      9.355225
  F      -3.736279     -5.444666     10.702851
  C      -4.854020     -5.542672      8.602241
  C      -6.196467     -5.442399      9.198897
  O      -7.231889     -5.308193      8.557732
  C      -6.427640     -5.611785     10.706215
  O      -6.468813     -6.700921     11.225499
  C      -6.738730     -4.286263     11.439615
  O      -6.500989     -3.216542     10.963147
  Cl     -7.402028     -4.523878     13.067027
  C      -4.750581     -5.619226      7.206691
  H      -1.612305     -1.485298      3.103256
  H      -1.855775      1.004663      2.952785
  H      -5.795982     -1.932391      2.165560
  H      -8.262982     -6.965675      4.077105
  H     -10.040323     -6.163205      5.621370
  H      -6.940125     -2.884106      3.645059
  H      -1.364263     -5.786559      6.892490
  H      -1.527064     -5.662510      9.375525
  H      -5.674470     -5.627052      6.626699
  N      -5.210590     -3.402579      5.148939
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.638141279779
  N      -3.547487     -3.290513      2.707505
  C      -2.946952     -3.863273      1.494469
  C      -2.560337     -5.306193      1.747465
  N      -3.648128     -6.007529      2.480922
  C      -4.773676     -6.407503      1.595242
  C      -6.045651     -6.518899      2.418252
  N      -6.155300     -5.323932      3.256763
  Mo     -4.487465     -4.486841      3.973255
  N      -3.449146     -5.706696      5.157770
  C      -2.490953     -6.635576      4.545478
  C      -3.114841     -7.154589      3.261427
  H      -2.297535     -7.480784      5.224026
  H      -1.520687     -6.145685      4.350193
  H      -3.959993     -7.807591      3.516202
  H      -2.397123     -7.731922      2.654232
  H      -6.914647     -6.585746      1.744473
  H      -6.042740     -7.436378      3.034928
  H      -4.900123     -5.617600      0.842199
  H      -4.535829     -7.349894      1.073565
  H      -2.045246     -3.292981      1.214441
  H      -3.654064     -3.769943      0.649003
  H      -1.667505     -5.332474      2.386901
  H      -2.325263     -5.834722      0.808458
  C      -3.694120     -1.872860      2.652897
  C      -2.576281     -1.047865      2.874997
  C      -2.692705      0.336541      2.816378
  C      -3.936126      0.893656      2.538916
  F      -4.031275      2.237686      2.465815
  C      -5.075501      0.103965      2.332879
  C      -6.420226      0.644380      2.063153
  O      -7.409047     -0.056026      1.881238
  C      -6.679884      2.150318      1.903566
  O      -6.664404      2.676708      0.814109
  C      -7.003832      2.932908      3.192217
  O      -6.387987      2.804484      4.205140
  Cl     -8.335693      4.097165      2.973331
  C      -4.924955     -1.291913      2.379159
  C      -7.413350     -4.998808      3.809047
  C      -8.334724     -5.929072      4.322639
  C      -9.311187     -5.490912      5.223027
  C      -9.317634     -4.165672      5.661675
  F     -10.145578     -3.824861      6.674121
  C      -8.444488     -3.217888      5.123679
  C      -8.122071     -1.840019      5.664108
  O      -8.969743     -0.957293      5.814115
  C      -6.695395     -1.668362      5.900317
  O      -5.900986     -2.868943      6.119432
  C      -6.080841     -0.433911      6.186190
  O      -6.529560      0.673364      6.289674
  Cl     -4.158754     -0.614606      6.330896
  C      -7.619037     -3.646637      4.091167
  C      -3.512476     -5.690964      6.567359
  C      -2.346303     -5.728692      7.360099
  C      -2.423731     -5.656025      8.748812
  C      -3.671337     -5.554065      9.350220
  F      -3.734936     -5.446668     10.697952
  C      -4.854773     -5.549639      8.599111
  C      -6.196725     -5.453961      9.197517
  O      -7.233663     -5.328642      8.556933
  C      -6.425383     -5.619072     10.705517
  O      -6.458450     -6.705937     11.230059
  C      -6.747313     -4.292184     11.431520
  O      -6.512307     -3.223525     10.951209
  Cl     -7.397860     -4.526054     13.064644
  C      -4.753047     -5.626509      7.203401
  H      -1.614002     -1.503584      3.113231
  H      -1.840352      0.990759      2.997371
  H      -5.804851     -1.906756      2.187192
  H      -8.247188     -6.994765      4.106980
  H     -10.011244     -6.196896      5.671167
  H      -6.959108     -2.910947      3.633756
  H      -1.365978     -5.778522      6.884781
  H      -1.526702     -5.654593      9.367890
  H      -5.677756     -5.638628      6.624861
  N      -5.223288     -3.409976      5.148324
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.638780669185
  N      -3.561045     -3.292345      2.707123
  C      -2.964423     -3.858540      1.488456
  C      -2.569858     -5.300322      1.736388
  N      -3.652256     -6.008266      2.473934
  C      -4.779056     -6.413709      1.591305
  C      -6.047020     -6.534585      2.420217
  N      -6.159660     -5.340290      3.259978
  Mo     -4.495652     -4.492967      3.969335
  N      -3.452136     -5.709672      5.149526
  C      -2.486105     -6.630228      4.534610
  C      -3.108712     -7.153738      3.251140
  H      -2.282852     -7.474123      5.212141
  H      -1.520328     -6.132406      4.337269
  H      -3.947306     -7.814304      3.507746
  H      -2.388073     -7.725148      2.641709
  H      -6.919193     -6.607558      1.751040
  H      -6.034460     -7.452812      3.036019
  H      -4.913672     -5.623627      0.840057
  H      -4.537599     -7.353674      1.066430
  H      -2.067875     -3.282616      1.203513
  H      -3.676621     -3.766826      0.646925
  H      -1.674088     -5.323427      2.371567
  H      -2.335701     -5.826009      0.795368
  C      -3.699037     -1.872675      2.668698
  C      -2.574837     -1.055505      2.891831
  C      -2.684482      0.330402      2.850350
  C      -3.925847      0.897936      2.586962
  F      -4.018489      2.243851      2.544355
  C      -5.069591      0.117836      2.376112
  C      -6.410424      0.671345      2.119358
  O      -7.422264     -0.012894      2.014672
  C      -6.644782      2.170941      1.888731
  O      -6.595272      2.650237      0.779423
  C      -7.024533      2.993922      3.135672
  O      -6.477751      2.863273      4.187524
  Cl     -8.275209      4.220318      2.805054
  C      -4.928119     -1.279916      2.410383
  C      -7.416372     -5.018263      3.822418
  C      -8.323460     -5.952673      4.351504
  C      -9.294381     -5.515923      5.259271
  C      -9.305404     -4.185960      5.686860
  F     -10.123144     -3.841358      6.706646
  C      -8.446278     -3.236492      5.130531
  C      -8.127665     -1.851458      5.657613
  O      -8.977962     -0.970040      5.796642
  C      -6.699569     -1.672465      5.887082
  O      -5.905619     -2.872397      6.116795
  C      -6.079327     -0.436543      6.141780
  O      -6.522120      0.674741      6.225965
  Cl     -4.157729     -0.627751      6.290258
  C      -7.627317     -3.665788      4.095765
  C      -3.513679     -5.693847      6.559858
  C      -2.347036     -5.727775      7.353026
  C      -2.423855     -5.654798      8.741606
  C      -3.670904     -5.555968      9.344103
  F      -3.733798     -5.447555     10.691872
  C      -4.854752     -5.555189      8.594188
  C      -6.196315     -5.461741      9.193864
  O      -7.234495     -5.346410      8.553413
  C      -6.423150     -5.620490     10.702873
  O      -6.450516     -6.703593     11.235258
  C      -6.743945     -4.288766     11.420747
  O      -6.536812     -3.223464     10.920132
  Cl     -7.429842     -4.509656     13.040876
  C      -4.754097     -5.633241      7.198367
  H      -1.613954     -1.519015      3.120129
  H      -1.828889      0.978226      3.038930
  H      -5.813484     -1.886937      2.218763
  H      -8.229498     -7.018530      4.139454
  H      -9.983744     -6.223640      5.720744
  H      -6.976223     -2.932571      3.628173
  H      -1.366588     -5.774793      6.877679
  H      -1.526490     -5.649928      9.360189
  H      -5.679729     -5.648573      6.621293
  N      -5.232385     -3.418839      5.145369
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.639413449425
  N      -3.571889     -3.294316      2.708752
  C      -2.977342     -3.852351      1.484430
  C      -2.576150     -5.294057      1.725951
  N      -3.654114     -6.008650      2.466212
  C      -4.781933     -6.418759      1.585361
  C      -6.047065     -6.549108      2.419106
  N      -6.163140     -5.356133      3.260869
  Mo     -4.503328     -4.500384      3.964431
  N      -3.455639     -5.714313      5.140820
  C      -2.481672     -6.626869      4.524414
  C      -3.101654     -7.153442      3.239955
  H      -2.270079     -7.469592      5.200883
  H      -1.519966     -6.121582      4.326778
  H      -3.934529     -7.821003      3.496808
  H      -2.378192     -7.718678      2.628447
  H      -6.921362     -6.627597      1.753297
  H      -6.025898     -7.468378      3.033140
  H      -4.923626     -5.627759      0.836429
  H      -4.536981     -7.355728      1.056853
  H      -2.085632     -3.270708      1.196647
  H      -3.693389     -3.760731      0.646147
  H      -1.678144     -5.315524      2.357948
  H      -2.342670     -5.816574      0.783112
  C      -3.702289     -1.873043      2.686808
  C      -2.572995     -1.061962      2.909475
  C      -2.677612      0.324824      2.886046
  C      -3.917901      0.900975      2.639945
  F      -4.010431      2.248108      2.627905
  C      -5.064974      0.128827      2.425043
  C      -6.402229      0.694870      2.184881
  O      -7.431277      0.029057      2.143674
  C      -6.613499      2.183084      1.876352
  O      -6.518569      2.612198      0.750434
  C      -7.048366      3.049022      3.075029
  O      -6.584392      2.911377      4.165445
  Cl     -8.217993      4.320610      2.639280
  C      -4.930514     -1.270326      2.444832
  C      -7.418933     -5.036171      3.833015
  C      -8.313027     -5.973421      4.377197
  C      -9.281054     -5.537825      5.289495
  C      -9.298007     -4.203887      5.705962
  F     -10.109239     -3.854919      6.729575
  C      -8.451218     -3.253626      5.133441
  C      -8.135014     -1.862514      5.647872
  O      -8.987153     -0.983073      5.783056
  C      -6.705460     -1.677121      5.871287
  O      -5.910834     -2.875836      6.111363
  C      -6.081993     -0.439562      6.101021
  O      -6.522271      0.674207      6.167728
  Cl     -4.161192     -0.633477      6.267792
  C      -7.634950     -3.683609      4.098647
  C      -3.517573     -5.698491      6.551966
  C      -2.351981     -5.730136      7.347139
  C      -2.429994     -5.656207      8.735409
  C      -3.677268     -5.558339      9.337028
  F      -3.741155     -5.446504     10.684590
  C      -4.860484     -5.560489      8.586167
  C      -6.202956     -5.466490      9.183965
  O      -7.240496     -5.358381      8.541181
  C      -6.431416     -5.615513     10.693871
  O      -6.470286     -6.694411     11.233836
  C      -6.752295     -4.276380     11.398507
  O      -6.499506     -3.217342     10.905000
  Cl     -7.385533     -4.480247     13.041562
  C      -4.758546     -5.640566      7.190693
  H      -1.612621     -1.531574      3.127247
  H      -1.819244      0.967066      3.081355
  H      -5.820466     -1.870860      2.254271
  H      -8.211710     -7.039455      4.169730
  H      -9.960624     -6.247189      5.762544
  H      -6.992780     -2.949818      3.622533
  H      -1.370722     -5.775375      6.873148
  H      -1.533109     -5.648505      9.354698
  H      -5.684284     -5.657788      6.613587
  N      -5.242024     -3.429141      5.141535
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.640064559087
  N      -3.582103     -3.290452      2.707254
  C      -2.993065     -3.845511      1.479228
  C      -2.587130     -5.286871      1.717026
  N      -3.659169     -6.005799      2.460876
  C      -4.788108     -6.421540      1.584298
  C      -6.049489     -6.557778      2.422868
  N      -6.167945     -5.365273      3.263906
  Mo     -4.510273     -4.500041      3.962573
  N      -3.458834     -5.713960      5.136157
  C      -2.480599     -6.619331      4.517473
  C      -3.099183     -7.147582      3.233086
  H      -2.263094     -7.461339      5.192738
  H      -1.522570     -6.107293      4.319376
  H      -3.928101     -7.820029      3.489979
  H      -2.373327     -7.707802      2.620082
  H      -6.926143     -6.641177      1.760957
  H      -6.020776     -7.476213      3.037622
  H      -4.936356     -5.630986      0.835995
  H      -4.540342     -7.357059      1.055005
  H      -2.104215     -3.261565      1.187777
  H      -3.713829     -3.754377      0.645119
  H      -1.686575     -5.306436      2.345675
  H      -2.356176     -5.807783      0.772891
  C      -3.703822     -1.868789      2.697798
  C      -2.567519     -1.067930      2.918629
  C      -2.664272      0.319272      2.913528
  C      -3.904025      0.904445      2.685814
  F      -3.990736      2.252221      2.695040
  C      -5.056808      0.140326      2.469298
  C      -6.390560      0.717181      2.242414
  O      -7.429231      0.065651      2.238937
  C      -6.585955      2.188974      1.860211
  O      -6.419944      2.573211      0.726279
  C      -7.087695      3.095085      3.002071
  O      -6.726666      2.955815      4.131034
  Cl     -8.149742      4.414075      2.446346
  C      -4.930398     -1.258371      2.472639
  C      -7.422294     -5.050427      3.841465
  C      -8.305351     -5.988776      4.402031
  C      -9.267530     -5.552172      5.319891
  C      -9.288546     -4.216308      5.727582
  F     -10.091662     -3.865990      6.757006
  C      -8.452683     -3.264628      5.141498
  C      -8.137978     -1.869039      5.645908
  O      -8.991361     -0.990371      5.776986
  C      -6.709740     -1.681079      5.868715
  O      -5.915718     -2.879730      6.113672
  C      -6.087731     -0.438670      6.081874
  O      -6.527072      0.677143      6.113697
  Cl     -4.164834     -0.623110      6.246221
  C      -7.644504     -3.696579      4.099414
  C      -3.519149     -5.700840      6.546897
  C      -2.352637     -5.730038      7.340128
  C      -2.429275     -5.657651      8.728588
  C      -3.676400     -5.564408      9.331589
  F      -3.739157     -5.454758     10.679335
  C      -4.860496     -5.570097      8.581688
  C      -6.202977     -5.482083      9.180292
  O      -7.241306     -5.376002      8.538511
  C      -6.430425     -5.629295     10.690515
  O      -6.465529     -6.707056     11.232855
  C      -6.748470     -4.288432     11.393581
  O      -6.506271     -3.230087     10.893173
  Cl     -7.388147     -4.488208     13.034642
  C      -4.759451     -5.647840      7.186201
  H      -1.607868     -1.545808      3.121597
  H      -1.800780      0.954299      3.109973
  H      -5.824946     -1.852202      2.282860
  H      -8.198412     -7.055909      4.203042
  H      -9.937844     -6.262314      5.804950
  H      -7.005006     -2.963702      3.613319
  H      -1.371821     -5.772110      6.864866
  H      -1.531727     -5.648308      9.346902
  H      -5.685549     -5.667512      6.609691
  N      -5.249426     -3.432455      5.141804
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.640577733605
  N      -3.588159     -3.286529      2.706221
  C      -3.002899     -3.839253      1.475600
  C      -2.595412     -5.281075      1.709642
  N      -3.662599     -6.001806      2.457461
  C      -4.793973     -6.421412      1.585636
  C      -6.052731     -6.560757      2.428200
  N      -6.172304     -5.368856      3.268705
  Mo     -4.515009     -4.498831      3.961272
  N      -3.459716     -5.712285      5.133453
  C      -2.478798     -6.612146      4.513000
  C      -3.096983     -7.141172      3.228666
  H      -2.257148     -7.453682      5.187289
  H      -1.523575     -6.094967      4.314388
  H      -3.923658     -7.816327      3.485804
  H      -2.370164     -7.697678      2.613719
  H      -6.930550     -6.647175      1.768340
  H      -6.019202     -7.478627      3.043332
  H      -4.946761     -5.630705      0.838215
  H      -4.545400     -7.356021      1.055687
  H      -2.115554     -3.254305      1.182246
  H      -3.727142     -3.747515      0.644775
  H      -1.692443     -5.300773      2.335079
  H      -2.368658     -5.801651      0.764574
  C      -3.703091     -1.864645      2.703714
  C      -2.562060     -1.069474      2.916045
  C      -2.653443      0.317972      2.920586
  C      -3.893351      0.908307      2.707636
  F      -3.978141      2.256303      2.727825
  C      -5.050294      0.148764      2.494993
  C      -6.380322      0.736993      2.276920
  O      -7.427804      0.101688      2.309870
  C      -6.559463      2.192499      1.828743
  O      -6.337543      2.534186      0.690862
  C      -7.124294      3.133288      2.911994
  O      -6.861109      2.998493      4.068164
  Cl     -8.083099      4.482159      2.253945
  C      -4.929993     -1.249674      2.491549
  C      -7.425028     -5.056461      3.850471
  C      -8.300766     -5.994305      4.423376
  C      -9.261552     -5.555243      5.341211
  C      -9.288142     -4.217812      5.740334
  F     -10.089404     -3.866083      6.770252
  C      -8.457695     -3.265560      5.146654
  C      -8.140556     -1.868703      5.646058
  O      -8.991885     -0.988514      5.779426
  C      -6.712797     -1.682886      5.871397
  O      -5.916293     -2.879552      6.115724
  C      -6.093386     -0.439402      6.092637
  O      -6.532788      0.676765      6.118266
  Cl     -4.178461     -0.622809      6.328559
  C      -7.651642     -3.701906      4.102204
  C      -3.518970     -5.701017      6.544046
  C      -2.351655     -5.729488      7.335067
  C      -2.426247     -5.660515      8.723904
  C      -3.672988     -5.572648      9.328668
  F      -3.734551     -5.469001     10.676862
  C      -4.858141     -5.579520      8.579840
  C      -6.199921     -5.500820      9.181135
  O      -7.240377     -5.396997      8.542501
  C      -6.423608     -5.656218     10.691351
  O      -6.456411     -6.736873     11.227865
  C      -6.739961     -4.319625     11.403739
  O      -6.511704     -3.257813     10.904285
  Cl     -7.394623     -4.529309     13.037415
  C      -4.758555     -5.652384      7.183970
  H      -1.601672     -1.551549      3.105710
  H      -1.785521      0.948311      3.112653
  H      -5.827348     -1.839917      2.304716
  H      -8.188682     -7.062556      4.233074
  H      -9.925722     -6.265608      5.834515
  H      -7.016998     -2.967327      3.608248
  H      -1.371474     -5.769110      6.858233
  H      -1.527752     -5.651589      9.340825
  H      -5.685259     -5.673801      6.608450
  N      -5.253474     -3.433046      5.143167
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.640895441213
  N      -3.595006     -3.283882      2.711818
  C      -3.012913     -3.829204      1.476223
  C      -2.603161     -5.271919      1.701877
  N      -3.665941     -5.997095      2.452233
  C      -4.799731     -6.418229      1.583434
  C      -6.055888     -6.564424      2.429574
  N      -6.177335     -5.375145      3.273188
  Mo     -4.521365     -4.502615      3.960581
  N      -3.461863     -5.715816      5.129240
  C      -2.477006     -6.608778      4.505053
  C      -3.094288     -7.136662      3.219550
  H      -2.250042     -7.451307      5.176419
  H      -1.524698     -6.086050      4.306617
  H      -3.917931     -7.815842      3.475804
  H      -2.366192     -7.688006      2.601476
  H      -6.934708     -6.652979      1.771223
  H      -6.016686     -7.483902      3.042141
  H      -4.957476     -5.625224      0.839499
  H      -4.550032     -7.350302      1.049497
  H      -2.127672     -3.241464      1.182478
  H      -3.740584     -3.734733      0.648636
  H      -1.697449     -5.293363      2.323232
  H      -2.380499     -5.789007      0.753909
  C      -3.702666     -1.861237      2.723922
  C      -2.557916     -1.071012      2.933598
  C      -2.645586      0.317023      2.957147
  C      -3.885114      0.912966      2.759832
  F      -3.971491      2.260538      2.805164
  C      -5.044349      0.159007      2.543042
  C      -6.369515      0.761394      2.335083
  O      -7.426543      0.145182      2.401495
  C      -6.529138      2.194465      1.813549
  O      -6.259602      2.486448      0.672606
  C      -7.162820      3.167195      2.828277
  O      -7.002620      3.042465      4.004401
  Cl     -8.023724      4.528744      2.073717
  C      -4.930157     -1.239718      2.527547
  C      -7.428080     -5.065314      3.861979
  C      -8.294849     -6.004703      4.445343
  C      -9.254414     -5.566188      5.364507
  C      -9.288056     -4.226583      5.755800
  F     -10.088282     -3.873749      6.785979
  C      -8.465205     -3.272816      5.153987
  C      -8.147045     -1.874245      5.648510
  O      -8.995168     -0.990153      5.773957
  C      -6.716887     -1.686164      5.858947
  O      -5.916255     -2.877333      6.114567
  C      -6.090636     -0.441560      6.050143
  O      -6.521247      0.678505      6.036732
  Cl     -4.175583     -0.629318      6.272266
  C      -7.659286     -3.711049      4.109513
  C      -3.520839     -5.707412      6.540097
  C      -2.353290     -5.736794      7.330712
  C      -2.426925     -5.671071      8.719814
  C      -3.673259     -5.585114      9.325407
  F      -3.734448     -5.484212     10.673837
  C      -4.858801     -5.590706      8.577126
  C      -6.199689     -5.514440      9.180484
  O      -7.241604     -5.411455      8.544083
  C      -6.419842     -5.665500     10.691898
  O      -6.455073     -6.744451     11.231603
  C      -6.727876     -4.325776     11.402258
  O      -6.497059     -3.266489     10.898690
  Cl     -7.372731     -4.528102     13.040363
  C      -4.760265     -5.660847      7.180942
  H      -1.597070     -1.557112      3.110177
  H      -1.774734      0.942210      3.152748
  H      -5.830149     -1.825706      2.340782
  H      -8.176357     -7.073236      4.260467
  H      -9.911149     -6.278092      5.865472
  H      -7.034711     -2.973383      3.608265
  H      -1.373261     -5.774390      6.853447
  H      -1.527948     -5.662824      9.336014
  H      -5.687605     -5.681299      6.606354
  N      -5.259464     -3.438222      5.144601
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641094992893
  N      -3.606675     -3.280579      2.711968
  C      -3.025661     -3.822606      1.474562
  C      -2.613033     -5.265110      1.696539
  N      -3.670668     -5.992817      2.451074
  C      -4.805736     -6.419329      1.586112
  C      -6.059803     -6.570185      2.434486
  N      -6.185511     -5.380791      3.277086
  Mo     -4.531275     -4.503196      3.959756
  N      -3.465334     -5.711783      5.129505
  C      -2.476635     -6.598591      4.503366
  C      -3.092814     -7.129284      3.218650
  H      -2.244314     -7.440616      5.173618
  H      -1.527604     -6.070259      4.303599
  H      -3.913480     -7.811744      3.475828
  H      -2.362882     -7.677041      2.599533
  H      -6.938421     -6.663129      1.776395
  H      -6.015603     -7.489088      3.047662
  H      -4.968254     -5.626803      0.842616
  H      -4.553764     -7.350798      1.052135
  H      -2.141559     -3.233118      1.181117
  H      -3.755082     -3.727957      0.648488
  H      -1.704402     -5.286027      2.313667
  H      -2.394708     -5.781231      0.747019
  C      -3.706104     -1.857013      2.731845
  C      -2.556743     -1.073622      2.938473
  C      -2.636580      0.315095      2.970965
  C      -3.873518      0.918166      2.780779
  F      -3.954535      2.265934      2.829863
  C      -5.036925      0.171088      2.561702
  C      -6.354473      0.789252      2.346650
  O      -7.420530      0.190802      2.421948
  C      -6.489530      2.211523      1.787260
  O      -6.156080      2.479785      0.657539
  C      -7.180213      3.204368      2.744856
  O      -7.113457      3.088001      3.930740
  Cl     -7.943800      4.579371      1.916602
  C      -4.932103     -1.228035      2.542337
  C      -7.434697     -5.075757      3.870169
  C      -8.292252     -6.015058      4.467834
  C      -9.248587     -5.574092      5.388645
  C      -9.289094     -4.231658      5.768467
  F     -10.087250     -3.875608      6.799109
  C      -8.476170     -3.277382      5.153941
  C      -8.159656     -1.874204      5.634947
  O      -9.010320     -0.995129      5.776902
  C      -6.730184     -1.685519      5.848214
  O      -5.925208     -2.871755      6.110236
  C      -6.104206     -0.439329      6.034973
  O      -6.531640      0.681790      5.996940
  Cl     -4.195280     -0.625603      6.298088
  C      -7.672387     -3.720907      4.109320
  C      -3.522114     -5.702965      6.540243
  C      -2.352612     -5.729798      7.327982
  C      -2.422883     -5.666990      8.717471
  C      -3.668107     -5.587260      9.326039
  F      -3.726609     -5.490087     10.674835
  C      -4.855468     -5.594521      8.580392
  C      -6.194426     -5.527861      9.188853
  O      -7.239323     -5.425791      8.557157
  C      -6.408957     -5.702808     10.698620
  O      -6.439279     -6.790833     11.220372
  C      -6.719161     -4.376961     11.433428
  O      -6.490420     -3.308066     10.949879
  Cl     -7.357562     -4.611326     13.069770
  C      -4.760459     -5.660310      7.183571
  H      -1.596842     -1.564972      3.105610
  H      -1.760826      0.933809      3.165075
  H      -5.834973     -1.808975      2.354100
  H      -8.166899     -7.084667      4.294047
  H      -9.896664     -6.285959      5.900911
  H      -7.059772     -2.981664      3.594659
  H      -1.373664     -5.763764      6.848316
  H      -1.522280     -5.657169      9.331249
  H      -5.689144     -5.682940      6.611273
  N      -5.271673     -3.438124      5.142982
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641254924327
  N      -3.616033     -3.272370      2.717594
  C      -3.037539     -3.811977      1.478212
  C      -2.623461     -5.254541      1.695738
  N      -3.677821     -5.984678      2.451678
  C      -4.813451     -6.412833      1.588674
  C      -6.065351     -6.568067      2.438571
  N      -6.193592     -5.379656      3.282388
  Mo     -4.540083     -4.499572      3.963907
  N      -3.470032     -5.708112      5.132373
  C      -2.480021     -6.589957      4.501778
  C      -3.096622     -7.120324      3.217756
  H      -2.243735     -7.433263      5.169129
  H      -1.533258     -6.057842      4.301020
  H      -3.915605     -7.804832      3.474831
  H      -2.365697     -7.665436      2.597364
  H      -6.944331     -6.662535      1.781178
  H      -6.017787     -7.487283      3.051052
  H      -4.979291     -5.619464      0.846782
  H      -4.560111     -7.343172      1.053224
  H      -2.153470     -3.222175      1.185165
  H      -3.768409     -3.715739      0.653581
  H      -1.712572     -5.276392      2.309484
  H      -2.408527     -5.767841      0.743820
  C      -3.708156     -1.848553      2.743985
  C      -2.555005     -1.072497      2.953544
  C      -2.627445      0.316756      2.993614
  C      -3.861125      0.926621      2.804137
  F      -3.935337      2.274312      2.860552
  C      -5.027914      0.185977      2.577641
  C      -6.338781      0.813843      2.345230
  O      -7.410041      0.224470      2.413600
  C      -6.452629      2.223901      1.750856
  O      -6.070767      2.464060      0.629934
  C      -7.197381      3.238488      2.644472
  O      -7.208098      3.153179      3.834708
  Cl     -7.906702      4.591777      1.734569
  C      -4.931254     -1.213005      2.555683
  C      -7.441599     -5.079966      3.877509
  C      -8.293145     -6.020795      4.482160
  C      -9.246358     -5.580003      5.405597
  C      -9.290564     -4.236533      5.781242
  F     -10.085436     -3.881533      6.814989
  C      -8.483541     -3.280512      5.161547
  C      -8.169444     -1.876178      5.640448
  O      -9.018851     -0.993626      5.768043
  C      -6.739929     -1.685220      5.845714
  O      -5.933570     -2.868605      6.115133
  C      -6.111899     -0.436205      6.010871
  O      -6.539269      0.684673      5.959526
  Cl     -4.207956     -0.619036      6.307285
  C      -7.684428     -3.724925      4.112942
  C      -3.523658     -5.703282      6.542685
  C      -2.351346     -5.731215      7.326549
  C      -2.417412     -5.675554      8.716584
  C      -3.661069     -5.602174      9.329114
  F      -3.715907     -5.513755     10.678738
  C      -4.850701     -5.607297      8.587182
  C      -6.187162     -5.550346      9.201914
  O      -7.234653     -5.434343      8.576880
  C      -6.394361     -5.744098     10.710368
  O      -6.420808     -6.839792     11.216360
  C      -6.702847     -4.430148     11.466327
  O      -6.478872     -3.353379     10.998550
  Cl     -7.326787     -4.691538     13.104559
  C      -4.760388     -5.664494      7.189521
  H      -1.597115     -1.569311      3.116188
  H      -1.748049      0.929161      3.190947
  H      -5.836219     -1.789240      2.362754
  H      -8.164125     -7.090804      4.313502
  H      -9.889189     -6.292460      5.923671
  H      -7.079684     -2.985274      3.588822
  H      -1.373947     -5.761336      6.843601
  H      -1.514873     -5.667288      9.327529
  H      -5.690629     -5.686114      6.619817
  N      -5.281631     -3.436305      5.147963
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641397243996
  N      -3.611654     -3.263608      2.727237
  C      -3.037188     -3.804084      1.486221
  C      -2.626786     -5.247885      1.700798
  N      -3.682488     -5.976481      2.456731
  C      -4.820100     -6.400626      1.594509
  C      -6.070698     -6.555501      2.446249
  N      -6.195514     -5.367667      3.292170
  Mo     -4.539612     -4.492126      3.971073
  N      -3.470666     -5.703397      5.138302
  C      -2.483158     -6.585711      4.503819
  C      -3.103203     -7.114316      3.221167
  H      -2.245833     -7.430529      5.168994
  H      -1.536265     -6.054621      4.301220
  H      -3.923329     -7.797054      3.479106
  H      -2.374252     -7.660940      2.599711
  H      -6.950991     -6.647356      1.790261
  H      -6.023786     -7.475451      3.057590
  H      -4.985803     -5.605399      0.854669
  H      -4.569447     -7.330403      1.056681
  H      -2.151780     -3.216883      1.191805
  H      -3.769135     -3.705033      0.662887
  H      -1.714844     -5.273692      2.312686
  H      -2.414827     -5.759110      0.747027
  C      -3.704026     -1.840641      2.751459
  C      -2.552875     -1.062282      2.961755
  C      -2.628006      0.327412      2.997178
  C      -3.861988      0.934585      2.801580
  F      -3.939324      2.281954      2.858511
  C      -5.026363      0.191169      2.571201
  C      -6.336018      0.814671      2.317525
  O      -7.406698      0.222821      2.370453
  C      -6.439203      2.220189      1.711204
  O      -6.011272      2.454281      0.605599
  C      -7.245152      3.233937      2.552833
  O      -7.326051      3.167821      3.741347
  Cl     -7.922996      4.562387      1.581916
  C      -4.927338     -1.207199      2.556013
  C      -7.441879     -5.063854      3.887881
  C      -8.297061     -6.001902      4.491766
  C      -9.249429     -5.556905      5.414282
  C      -9.289553     -4.211924      5.788040
  F     -10.083519     -3.853093      6.821439
  C      -8.479246     -3.259487      5.167257
  C      -8.160351     -1.854571      5.643214
  O      -9.006084     -0.968225      5.768195
  C      -6.729363     -1.670300      5.850805
  O      -5.932691     -2.861600      6.123365
  C      -6.090946     -0.426247      6.010890
  O      -6.507868      0.698065      5.945210
  Cl     -4.190967     -0.623626      6.316007
  C      -7.681533     -3.708313      4.120477
  C      -3.523736     -5.704271      6.548370
  C      -2.350364     -5.739893      7.331034
  C      -2.414828     -5.695459      8.721473
  C      -3.657731     -5.625993      9.335776
  F      -3.711476     -5.551943     10.686586
  C      -4.848036     -5.621242      8.595444
  C      -6.183134     -5.570935      9.213893
  O      -7.231761     -5.447786      8.592184
  C      -6.386190     -5.799134     10.718163
  O      -6.417093     -6.907171     11.196466
  C      -6.689024     -4.503673     11.507154
  O      -6.471488     -3.415631     11.063097
  Cl     -7.304561     -4.804731     13.142093
  C      -4.759833     -5.666319      7.197099
  H      -1.594539     -1.556731      3.128907
  H      -1.750158      0.941228      3.196823
  H      -5.830251     -1.786279      2.361238
  H      -8.171474     -7.072526      4.324318
  H      -9.895184     -6.266388      5.932721
  H      -7.078766     -2.968631      3.596623
  H      -1.373629     -5.768802      6.846738
  H      -1.511628     -5.694140      9.331501
  H      -5.690744     -5.681912      6.628305
  N      -5.280068     -3.430475      5.156634
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641492989832
  N      -3.598659     -3.262972      2.730119
  C      -3.029817     -3.807571      1.487997
  C      -2.625079     -5.252895      1.703211
  N      -3.683900     -5.976604      2.460687
  C      -4.823478     -6.397288      1.599179
  C      -6.073801     -6.547549      2.452487
  N      -6.193047     -5.357401      3.297064
  Mo     -4.534053     -4.487775      3.972219
  N      -3.470346     -5.699700      5.142707
  C      -2.485248     -6.585309      4.507527
  C      -3.108339     -7.115513      3.226909
  H      -2.247563     -7.429760      5.173182
  H      -1.537540     -6.056837      4.302342
  H      -3.930186     -7.795166      3.487252
  H      -2.381576     -7.666546      2.606657
  H      -6.955567     -6.637077      1.798147
  H      -6.029665     -7.466573      3.065330
  H      -4.987409     -5.602186      0.858947
  H      -4.576638     -7.328228      1.061361
  H      -2.142713     -3.224602      1.189935
  H      -3.762936     -3.706470      0.665880
  H      -1.712305     -5.282635      2.313371
  H      -2.416287     -5.764442      0.748824
  C      -3.692439     -1.840642      2.750953
  C      -2.545342     -1.057677      2.966236
  C      -2.628253      0.332018      3.003690
  C      -3.865017      0.933710      2.809108
  F      -3.951266      2.279526      2.882645
  C      -5.023951      0.185272      2.568976
  C      -6.337442      0.797180      2.308669
  O      -7.402771      0.193947      2.338379
  C      -6.444209      2.212859      1.731314
  O      -5.945170      2.488943      0.665736
  C      -7.343920      3.179093      2.533794
  O      -7.523025      3.083633      3.709234
  Cl     -7.985125      4.510338      1.537357
  C      -4.916677     -1.211727      2.549216
  C      -7.437916     -5.042566      3.891552
  C      -8.299371     -5.972283      4.498778
  C      -9.250359     -5.516506      5.418106
  C      -9.282439     -4.167972      5.783275
  F     -10.073716     -3.797271      6.814857
  C      -8.467077     -3.225002      5.155489
  C      -8.139541     -1.816933      5.619061
  O      -8.979279     -0.923813      5.732872
  C      -6.706366     -1.641437      5.828223
  O      -5.926895     -2.843961      6.116177
  C      -6.051712     -0.404646      5.966211
  O      -6.453693      0.723838      5.875993
  Cl     -4.160385     -0.623689      6.296499
  C      -7.670423     -3.684659      4.114309
  C      -3.525538     -5.704091      6.552564
  C      -2.352999     -5.750399      7.336872
  C      -2.418789     -5.717659      8.727453
  C      -3.662056     -5.649086      9.340783
  F      -3.718104     -5.590666     10.692731
  C      -4.851168     -5.630633      8.599652
  C      -6.185959     -5.584407      9.219508
  O      -7.233587     -5.435619      8.601920
  C      -6.385777     -5.830483     10.721561
  O      -6.415936     -6.944859     11.184929
  C      -6.674353     -4.544452     11.530582
  O      -6.462925     -3.451135     11.096539
  Cl     -7.270983     -4.864530     13.169276
  C      -4.762148     -5.663433      7.201055
  H      -1.586128     -1.547782      3.140582
  H      -1.754808      0.949166      3.212037
  H      -5.816234     -1.795589      2.352748
  H      -8.180461     -7.044471      4.336467
  H      -9.901171     -6.218652      5.940022
  H      -7.067608     -2.948881      3.588091
  H      -1.375925     -5.780268      6.853367
  H      -1.516356     -5.725585      9.338580
  H      -5.692569     -5.670171      6.631291
  N      -5.273342     -3.422371      5.154298
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641552345982
  N      -3.595197     -3.266516      2.727585
  C      -3.027449     -3.814429      1.486354
  C      -2.624618     -5.260050      1.704716
  N      -3.684665     -5.980360      2.463888
  C      -4.824087     -6.401699      1.602321
  C      -6.075455     -6.546628      2.455081
  N      -6.191899     -5.353238      3.295930
  Mo     -4.530987     -4.486095      3.972557
  N      -3.469689     -5.695918      5.146470
  C      -2.486260     -6.585072      4.512610
  C      -3.110887     -7.118111      3.233212
  H      -2.249316     -7.427951      5.180439
  H      -1.537693     -6.058973      4.305766
  H      -3.933524     -7.795897      3.495995
  H      -2.385351     -7.672697      2.614793
  H      -6.957501     -6.635508      1.801101
  H      -6.034708     -7.463750      3.070758
  H      -4.985973     -5.609230      0.858753
  H      -4.578591     -7.334772      1.067758
  H      -2.139600     -3.233054      1.187185
  H      -3.759895     -3.713465      0.663602
  H      -1.711555     -5.290045      2.314360
  H      -2.416769     -5.773681      0.751353
  C      -3.690684     -1.843209      2.742083
  C      -2.546332     -1.058931      2.969332
  C      -2.630831      0.330294      3.006278
  C      -3.865482      0.933536      2.803396
  F      -3.948516      2.278537      2.883968
  C      -5.022890      0.186498      2.550396
  C      -6.340722      0.790356      2.286818
  O      -7.398746      0.172911      2.286713
  C      -6.454427      2.219297      1.741484
  O      -5.968097      2.512382      0.674253
  C      -7.363563      3.174648      2.547045
  O      -7.519938      3.106182      3.725818
  Cl     -8.073032      4.458616      1.528684
  C      -4.912591     -1.212255      2.527983
  C      -7.437180     -5.032911      3.888086
  C      -8.301249     -5.955918      4.501824
  C      -9.248834     -5.493945      5.421649
  C      -9.273646     -4.144984      5.782481
  F     -10.059316     -3.767004      6.815738
  C      -8.457487     -3.208130      5.147822
  C      -8.126661     -1.798709      5.604744
  O      -8.965113     -0.904381      5.716478
  C      -6.694033     -1.628066      5.819472
  O      -5.924086     -2.834439      6.109941
  C      -6.032071     -0.397072      5.957082
  O      -6.427069      0.733691      5.860171
  Cl     -4.141740     -0.628867      6.278283
  C      -7.664388     -3.672450      4.105735
  C      -3.523730     -5.699068      6.556375
  C      -2.350886     -5.750370      7.339980
  C      -2.415181     -5.720377      8.730548
  C      -3.657582     -5.649845      9.345160
  F      -3.712152     -5.592948     10.697392
  C      -4.847256     -5.625133      8.605119
  C      -6.181399     -5.575134      9.226799
  O      -7.228739     -5.418241      8.610937
  C      -6.381088     -5.850502     10.723742
  O      -6.407014     -6.974476     11.163784
  C      -6.690410     -4.584594     11.556201
  O      -6.480332     -3.480435     11.150239
  Cl     -7.304755     -4.945207     13.180180
  C      -4.759459     -5.654545      7.206419
  H      -1.589308     -1.548725      3.155906
  H      -1.759879      0.947464      3.224858
  H      -5.810785     -1.795689      2.324392
  H      -8.187335     -7.029185      4.343365
  H      -9.901472     -6.191528      5.947332
  H      -7.059462     -2.942056      3.572122
  H      -1.374339     -5.781753      6.855440
  H      -1.512245     -5.731385      9.340908
  H      -5.690231     -5.655894      6.637105
  N      -5.269420     -3.416495      5.150311
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641604770217
  N      -3.589434     -3.268162      2.723980
  C      -3.024296     -3.818186      1.482471
  C      -2.623665     -5.264349      1.702169
  N      -3.684160     -5.982666      2.462605
  C      -4.824862     -6.403681      1.602802
  C      -6.075639     -6.545308      2.457241
  N      -6.188717     -5.351235      3.297018
  Mo     -4.526113     -4.484636      3.971370
  N      -3.467565     -5.696848      5.144785
  C      -2.485716     -6.587938      4.511547
  C      -3.111336     -7.120394      3.232367
  H      -2.250070     -7.430374      5.180250
  H      -1.536513     -6.063051      4.304344
  H      -3.934857     -7.796970      3.495681
  H      -2.386865     -7.676077      2.613762
  H      -6.958710     -6.633375      1.804593
  H      -6.035559     -7.461929      3.073786
  H      -4.986304     -5.611842      0.858415
  H      -4.580963     -7.337627      1.069175
  H      -2.136188     -3.238303      1.181309
  H      -3.758105     -3.717029      0.661006
  H      -1.710844     -5.294604      2.312331
  H      -2.416272     -5.779853      0.749771
  C      -3.686193     -1.845005      2.737785
  C      -2.542570     -1.059663      2.964534
  C      -2.630409      0.328723      3.009017
  C      -3.867170      0.929955      2.812638
  F      -3.953442      2.274171      2.901872
  C      -5.022760      0.181343      2.555559
  C      -6.343138      0.782127      2.302876
  O      -7.398885      0.161124      2.307357
  C      -6.467056      2.208892      1.755853
  O      -5.967732      2.512911      0.697895
  C      -7.396940      3.146062      2.558724
  O      -7.578178      3.048422      3.732196
  Cl     -8.080408      4.456946      1.556394
  C      -4.909140     -1.216723      2.526210
  C      -7.433942     -5.027127      3.887827
  C      -8.299741     -5.948499      4.500860
  C      -9.247382     -5.484040      5.419455
  C      -9.270322     -4.134871      5.779750
  F     -10.056600     -3.755203      6.811691
  C      -8.451192     -3.199486      5.146106
  C      -8.115630     -1.791527      5.604129
  O      -8.950077     -0.892614      5.708524
  C      -6.682567     -1.624431      5.817213
  O      -5.915323     -2.831934      6.109952
  C      -6.018969     -0.393117      5.950167
  O      -6.412330      0.737862      5.847427
  Cl     -4.130810     -0.624140      6.285277
  C      -7.658740     -3.666430      4.104058
  C      -3.522807     -5.700752      6.554819
  C      -2.350956     -5.754577      7.339138
  C      -2.416370     -5.722382      8.729666
  C      -3.659188     -5.647022      9.343098
  F      -3.714323     -5.585708     10.694967
  C      -4.848313     -5.620829      8.601673
  C      -6.183476     -5.563205      9.220539
  O      -7.229540     -5.415594      8.600412
  C      -6.388053     -5.840436     10.716488
  O      -6.418514     -6.964561     11.155796
  C      -6.697847     -4.573922     11.548293
  O      -6.481322     -3.470236     11.144293
  Cl     -7.317758     -4.933782     13.170144
  C      -4.758909     -5.652823      7.203278
  H      -1.584092     -1.548331      3.146779
  H      -1.760635      0.947370      3.228274
  H      -5.805981     -1.801030      2.319655
  H      -8.187406     -7.022004      4.342606
  H      -9.901765     -6.180329      5.944754
  H      -7.048569     -2.938241      3.573096
  H      -1.374057     -5.788276      6.855423
  H      -1.514005     -5.734624      9.340828
  H      -5.689026     -5.651594      6.632859
  N      -5.261545     -3.413979      5.149957
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641632847412
  N      -3.583083     -3.269918      2.724818
  C      -3.017814     -3.819106      1.483132
  C      -2.620367     -5.266340      1.701730
  N      -3.682101     -5.983257      2.461474
  C      -4.823731     -6.401862      1.601790
  C      -6.075404     -6.540506      2.455728
  N      -6.185413     -5.347549      3.296623
  Mo     -4.521073     -4.485039      3.971998
  N      -3.465328     -5.700815      5.143825
  C      -2.485263     -6.593295      4.510531
  C      -3.111363     -7.122446      3.230213
  H      -2.252233     -7.436583      5.178900
  H      -1.534924     -6.069881      4.304574
  H      -3.936591     -7.797493      3.492396
  H      -2.388084     -7.678540      2.610704
  H      -6.958200     -6.625576      1.802351
  H      -6.037905     -7.458055      3.071124
  H      -4.982971     -5.609258      0.857660
  H      -4.581574     -7.336074      1.068068
  H      -2.128777     -3.239977      1.183509
  H      -3.751354     -3.715834      0.661762
  H      -1.708282     -5.298599      2.313101
  H      -2.413324     -5.782541      0.749744
  C      -3.683282     -1.846881      2.738074
  C      -2.542484     -1.058720      2.968171
  C      -2.634933      0.328773      3.016612
  C      -3.872986      0.927180      2.818535
  F      -3.962260      2.270990      2.906944
  C      -5.025545      0.175788      2.555227
  C      -6.347849      0.772879      2.304369
  O      -7.400626      0.147297      2.304362
  C      -6.479200      2.201780      1.763098
  O      -5.971522      2.519265      0.713328
  C      -7.429938      3.120273      2.563565
  O      -7.626316      3.002768      3.732742
  Cl     -8.103608      4.445063      1.573060
  C      -4.907235     -1.222074      2.522764
  C      -7.430875     -5.019660      3.885335
  C      -8.299878     -5.939679      4.495278
  C      -9.249256     -5.473626      5.411201
  C      -9.270954     -4.124893      5.772677
  F     -10.060706     -3.744694      6.801411
  C      -8.447095     -3.190278      5.143196
  C      -8.106063     -1.785122      5.605160
  O      -8.936506     -0.882868      5.712998
  C      -6.672755     -1.624090      5.821268
  O      -5.906962     -2.832069      6.111847
  C      -6.007467     -0.393757      5.963408
  O      -6.397264      0.738351      5.856488
  Cl     -4.122667     -0.626548      6.313186
  C      -7.652131     -3.659010      4.102844
  C      -3.522498     -5.707418      6.553927
  C      -2.352105     -5.766677      7.339263
  C      -2.418913     -5.735886      8.729848
  C      -3.662241     -5.656594      9.341902
  F      -3.718606     -5.596382     10.693553
  C      -4.850543     -5.626444      8.598733
  C      -6.186583     -5.565893      9.215489
  O      -7.230570     -5.399124      8.596875
  C      -6.393513     -5.827155     10.714223
  O      -6.420079     -6.946109     11.166551
  C      -6.692801     -4.550618     11.534909
  O      -6.466322     -3.452604     11.121087
  Cl     -7.309096     -4.890782     13.162140
  C      -4.759221     -5.656567      7.200461
  H      -1.582427     -1.544816      3.149360
  H      -1.767341      0.950159      3.236976
  H      -5.800875     -1.808161      2.307879
  H      -8.189064     -7.013256      4.336162
  H      -9.906340     -6.169328      5.934010
  H      -7.037607     -2.931445      3.574976
  H      -1.374715     -5.802604      6.856642
  H      -1.517275     -5.752289      9.341964
  H      -5.688592     -5.651493      6.628832
  N      -5.254007     -3.413988      5.152293
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641663949978
  N      -3.580237     -3.272094      2.723414
  C      -3.017053     -3.822055      1.481253
  C      -2.620921     -5.269433      1.700507
  N      -3.682964     -5.984452      2.461893
  C      -4.825744     -6.402011      1.603267
  C      -6.077070     -6.537848      2.458070
  N      -6.183986     -5.344131      3.298218
  Mo     -4.517821     -4.484167      3.972560
  N      -3.463325     -5.700549      5.143982
  C      -2.484898     -6.594732      4.510094
  C      -3.112966     -7.123961      3.230751
  H      -2.252182     -7.437909      5.178749
  H      -1.534066     -6.072752      4.302808
  H      -3.938644     -7.797915      3.494355
  H      -2.390990     -7.681587      2.610984
  H      -6.960612     -6.621634      1.805498
  H      -6.040817     -7.455263      3.073854
  H      -4.984191     -5.610077      0.858281
  H      -4.585303     -7.337204      1.070319
  H      -2.127802     -3.243707      1.180552
  H      -3.751337     -3.718381      0.660517
  H      -1.708274     -5.302196      2.310930
  H      -2.415264     -5.786627      0.748703
  C      -3.681492     -1.848844      2.736508
  C      -2.542432     -1.059962      2.973757
  C      -2.636841      0.327270      3.024117
  C      -3.874584      0.925401      2.822185
  F      -3.964426      2.268512      2.915097
  C      -5.025436      0.173629      2.552824
  C      -6.349230      0.766701      2.300042
  O      -7.399411      0.136376      2.293603
  C      -6.486942      2.198892      1.769535
  O      -5.970931      2.529992      0.728081
  C      -7.457635      3.101098      2.564736
  O      -7.664218      2.978331      3.731372
  Cl     -8.143949      4.417352      1.569602
  C      -4.904707     -1.224335      2.517215
  C      -7.428548     -5.012051      3.886945
  C      -8.298672     -5.928735      4.500335
  C      -9.245514     -5.458612      5.416763
  C      -9.263302     -4.108867      5.774923
  F     -10.050212     -3.723960      6.804186
  C      -8.438709     -3.177770      5.141590
  C      -8.094602     -1.771830      5.599116
  O      -8.923245     -0.867810      5.705912
  C      -6.660865     -1.614216      5.814833
  O      -5.899683     -2.824060      6.109777
  C      -5.990384     -0.386350      5.949350
  O      -6.376207      0.746879      5.838970
  Cl     -4.107507     -0.626103      6.301871
  C      -7.645806     -3.650176      4.101629
  C      -3.519835     -5.707475      6.554058
  C      -2.349411     -5.770863      7.339226
  C      -2.415859     -5.741472      8.729871
  C      -3.658745     -5.659543      9.342445
  F      -3.714554     -5.601163     10.694152
  C      -4.847079     -5.624871      8.599652
  C      -6.182840     -5.561415      9.216744
  O      -7.226304     -5.389976      8.598500
  C      -6.391008     -5.832608     10.713414
  O      -6.419684     -6.954795     11.157561
  C      -6.707080     -4.563530     11.539127
  O      -6.481539     -3.461480     11.135682
  Cl     -7.347898     -4.917981     13.153845
  C      -4.756246     -5.653516      7.201314
  H      -1.582807     -1.545564      3.158312
  H      -1.771205      0.949477      3.249767
  H      -5.796973     -1.810552      2.296745
  H      -8.190607     -7.002855      4.343126
  H      -9.903326     -6.151574      5.942253
  H      -7.029694     -2.926423      3.570847
  H      -1.372198     -5.808951      6.856437
  H      -1.514156     -5.761117      9.341789
  H      -5.685797     -5.645328      6.630051
  N      -5.248048     -3.410071      5.151602
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641680865903
  N      -3.570645     -3.275637      2.722635
  C      -3.010302     -3.827968      1.480504
  C      -2.618683     -5.276077      1.701852
  N      -3.683052     -5.986040      2.465090
  C      -4.827898     -6.399728      1.607424
  C      -6.079695     -6.528090      2.462594
  N      -6.179690     -5.333093      3.301613
  Mo     -4.509205     -4.480956      3.975794
  N      -3.459525     -5.700452      5.147085
  C      -2.485487     -6.599589      4.512696
  C      -3.117117     -7.127234      3.234481
  H      -2.255834     -7.443267      5.181788
  H      -1.532565     -6.082043      4.304036
  H      -3.945294     -7.797513      3.499713
  H      -2.398159     -7.688807      2.614623
  H      -6.963885     -6.607598      1.810331
  H      -6.048238     -7.445480      3.078809
  H      -4.982766     -5.608727      0.860709
  H      -4.591766     -7.337136      1.076271
  H      -2.119513     -3.252235      1.179009
  H      -3.744834     -3.722898      0.660067
  H      -1.705888     -5.310754      2.311864
  H      -2.415052     -5.795714      0.750900
  C      -3.676749     -1.852225      2.732350
  C      -2.543446     -1.059145      2.983983
  C      -2.644722      0.327453      3.035092
  C      -3.882943      0.921885      2.822992
  F      -3.977151      2.263532      2.921791
  C      -5.028202      0.166228      2.540791
  C      -6.355751      0.748393      2.281066
  O      -7.397144      0.103816      2.248154
  C      -6.508372      2.188943      1.777659
  O      -5.977199      2.552315      0.754815
  C      -7.518672      3.054805      2.564864
  O      -7.744876      2.917956      3.725808
  Cl     -8.230043      4.355364      1.563880
  C      -4.899426     -1.231552      2.500999
  C      -7.423104     -4.990709      3.887284
  C      -8.299914     -5.899566      4.503098
  C      -9.244901     -5.420180      5.416555
  C      -9.254057     -4.069009      5.769746
  F     -10.039625     -3.674870      6.796646
  C      -8.422372     -3.145917      5.134478
  C      -8.069759     -1.740523      5.587390
  O      -8.891942     -0.829993      5.688550
  C      -6.635168     -1.592983      5.805297
  O      -5.884297     -2.807450      6.107385
  C      -5.953752     -0.370808      5.932107
  O      -6.329553      0.765161      5.813356
  Cl     -4.076251     -0.625947      6.295531
  C      -7.630578     -3.626550      4.097706
  C      -3.516955     -5.709261      6.557048
  C      -2.347721     -5.783012      7.343342
  C      -2.415266     -5.757207      8.734029
  C      -3.657954     -5.668728      9.346015
  F      -3.714503     -5.614506     10.697751
  C      -4.845216     -5.622701      8.602353
  C      -6.180801     -5.551548      9.218756
  O      -7.222954     -5.376198      8.599503
  C      -6.394436     -5.849032     10.709499
  O      -6.404858     -6.978104     11.136951
  C      -6.719639     -4.596653     11.556779
  O      -6.492859     -3.486616     11.176798
  Cl     -7.371105     -4.983573     13.159853
  C      -4.753527     -5.647836      7.203920
  H      -1.584022     -1.541332      3.177934
  H      -1.784789      0.953551      3.271488
  H      -5.787046     -1.820411      2.268675
  H      -8.198867     -6.974818      4.349271
  H      -9.908022     -6.106938      5.943481
  H      -7.008137     -2.909958      3.565418
  H      -1.370290     -5.826547      6.861495
  H      -1.514274     -5.785003      9.346676
  H      -5.682613     -5.631833      6.632126
  N      -5.233938     -3.400708      5.152525
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641709086601
  N      -3.563118     -3.276271      2.723059
  C      -3.005512     -3.829317      1.480142
  C      -2.617202     -5.278355      1.701155
  N      -3.682629     -5.985682      2.465497
  C      -4.829948     -6.395677      1.609386
  C      -6.081089     -6.520011      2.466261
  N      -6.175686     -5.325338      3.306204
  Mo     -4.501661     -4.478853      3.978891
  N      -3.454461     -5.702875      5.147558
  C      -2.484040     -6.604558      4.511091
  C      -3.118991     -7.129062      3.233319
  H      -2.256310     -7.449536      5.179141
  H      -1.529859     -6.089680      4.301690
  H      -3.948941     -7.796975      3.499071
  H      -2.402631     -7.692285      2.611973
  H      -6.966298     -6.595898      1.814977
  H      -6.052053     -7.438073      3.081605
  H      -4.983269     -5.604179      0.862862
  H      -4.597405     -7.333820      1.078005
  H      -2.113760     -3.255400      1.178001
  H      -3.740877     -3.722482      0.660698
  H      -1.704109     -5.315056      2.310659
  H      -2.415478     -5.798791      0.750265
  C      -3.673654     -1.853120      2.731157
  C      -2.544566     -1.056108      2.988786
  C      -2.652097      0.329846      3.041997
  C      -3.892206      0.919638      2.826945
  F      -3.992399      2.260130      2.931224
  C      -5.032727      0.159638      2.536653
  C      -6.362527      0.734849      2.273733
  O      -7.398573      0.082266      2.228581
  C      -6.525131      2.177124      1.778976
  O      -5.982055      2.557459      0.768818
  C      -7.563875      3.019121      2.555707
  O      -7.813987      2.863087      3.709344
  Cl     -8.268868      4.325176      1.557117
  C      -4.897355     -1.237353      2.493800
  C      -7.417988     -4.976554      3.890442
  C      -8.299974     -5.881046      4.505391
  C      -9.244598     -5.396239      5.416379
  C      -9.248439     -4.044604      5.768366
  F     -10.034877     -3.646107      6.792920
  C      -8.410515     -3.125929      5.134754
  C      -8.050591     -1.722296      5.587471
  O      -8.867220     -0.806611      5.686778
  C      -6.615430     -1.583047      5.808199
  O      -5.871004     -2.801505      6.111497
  C      -5.927716     -0.364094      5.935853
  O      -6.296041      0.773634      5.809316
  Cl     -4.054055     -0.627850      6.310385
  C      -7.619219     -3.611577      4.099941
  C      -3.512537     -5.715168      6.557481
  C      -2.344037     -5.796326      7.344051
  C      -2.412194     -5.773439      8.734768
  C      -3.654742     -5.680577      9.346492
  F      -3.711392     -5.628108     10.698159
  C      -4.841454     -5.627577      8.602264
  C      -6.177261     -5.551928      9.217571
  O      -7.217478     -5.363179      8.598852
  C      -6.394684     -5.851663     10.707167
  O      -6.415794     -6.981957     11.130961
  C      -6.730274     -4.601342     11.553346
  O      -6.495154     -3.490613     11.180448
  Cl     -7.409635     -4.991825     13.143939
  C      -4.749120     -5.649595      7.203846
  H      -1.584111     -1.534800      3.186210
  H      -1.796345      0.959483      3.284109
  H      -5.781169     -1.829269      2.254863
  H      -8.203441     -6.956862      4.352637
  H      -9.911958     -6.079490      5.942526
  H      -6.991360     -2.898255      3.570037
  H      -1.366541     -5.843111      6.862636
  H      -1.511595     -5.806670      9.347730
  H      -5.677882     -5.628247      6.631698
  N      -5.221681     -3.396817      5.157123
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641727067238
  N      -3.561311     -3.274476      2.725892
  C      -3.005299     -3.826065      1.481843
  C      -2.617847     -5.275599      1.701051
  N      -3.683220     -5.982642      2.465794
  C      -4.832495     -6.389561      1.610793
  C      -6.082476     -6.513238      2.469512
  N      -6.173900     -5.319777      3.311547
  Mo     -4.497776     -4.476990      3.983595
  N      -3.451075     -5.705737      5.148046
  C      -2.482647     -6.607396      4.508411
  C      -3.120080     -7.128402      3.230521
  H      -2.255359     -7.454260      5.174221
  H      -1.528083     -6.093355      4.298890
  H      -3.950583     -7.795766      3.495930
  H      -2.405272     -7.691240      2.607059
  H      -6.968726     -6.586544      1.819353
  H      -6.053960     -7.432488      3.083104
  H      -4.985780     -5.596939      0.865479
  H      -4.602225     -7.327456      1.077988
  H      -2.113371     -3.252322      1.179848
  H      -3.741335     -3.717816      0.663195
  H      -1.704244     -5.313489      2.309732
  H      -2.417356     -5.795326      0.749506
  C      -3.675137     -1.851450      2.735006
  C      -2.549412     -1.052265      3.000065
  C      -2.660657      0.333406      3.054872
  C      -3.901014      0.920502      2.833583
  F      -4.005135      2.260344      2.940409
  C      -5.037677      0.158086      2.533981
  C      -6.366631      0.730617      2.261239
  O      -7.401808      0.076283      2.214394
  C      -6.532098      2.169605      1.758864
  O      -5.980570      2.549828      0.753481
  C      -7.589261      3.004389      2.518982
  O      -7.861370      2.841378      3.666716
  Cl     -8.276870      4.314418      1.514340
  C      -4.898886     -1.238537      2.490572
  C      -7.415226     -4.967682      3.895533
  C      -8.300273     -5.869623      4.510003
  C      -9.243790     -5.381573      5.420381
  C      -9.243714     -4.029707      5.772092
  F     -10.030134     -3.628720      6.795831
  C      -8.402396     -3.113679      5.139176
  C      -8.038017     -1.711098      5.591696
  O      -8.851535     -0.792858      5.692302
  C      -6.602751     -1.577553      5.815436
  O      -5.863179     -2.799153      6.118740
  C      -5.910588     -0.361202      5.945153
  O      -6.273662      0.778039      5.816921
  Cl     -4.039436     -0.632087      6.328453
  C      -7.612435     -3.602185      4.105005
  C      -3.509364     -5.722233      6.557814
  C      -2.341211     -5.808766      7.344484
  C      -2.409737     -5.788959      8.735189
  C      -3.652090     -5.693866      9.347016
  F      -3.708705     -5.643976     10.698666
  C      -4.838473     -5.636103      8.602625
  C      -6.174221     -5.558870      9.217539
  O      -7.213304     -5.359935      8.599844
  C      -6.394750     -5.859968     10.706169
  O      -6.414986     -6.990568     11.129257
  C      -6.735873     -4.610992     11.552018
  O      -6.492720     -3.500044     11.184922
  Cl     -7.425693     -5.004112     13.137502
  C      -4.745938     -5.654908      7.204121
  H      -1.589044     -1.529107      3.202227
  H      -1.808295      0.964925      3.303909
  H      -5.779670     -1.832058      2.244594
  H      -8.206738     -6.945761      4.357637
  H      -9.913535     -6.062577      5.946405
  H      -6.980375     -2.891437      3.576767
  H      -1.363687     -5.857464      6.863322
  H      -1.509336     -5.826189      9.348235
  H      -5.674622     -5.630194      6.631975
  N      -5.214405     -3.395061      5.164187
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641744817668
  N      -3.558596     -3.273684      2.729444
  C      -3.003576     -3.823832      1.484849
  C      -2.617899     -5.274100      1.702675
  N      -3.683079     -5.979336      2.468927
  C      -4.835596     -6.381805      1.616030
  C      -6.084502     -6.502716      2.476801
  N      -6.171232     -5.310315      3.320683
  Mo     -4.491373     -4.475046      3.991424
  N      -3.444420     -5.709116      5.151179
  C      -2.479692     -6.611686      4.507801
  C      -3.121208     -7.128083      3.230119
  H      -2.253819     -7.460981      5.170977
  H      -1.524208     -6.099663      4.297769
  H      -3.953151     -7.793636      3.495627
  H      -2.409240     -7.691233      2.603753
  H      -6.971573     -6.572046      1.827318
  H      -6.058135     -7.423124      3.088657
  H      -4.987901     -5.588055      0.871736
  H      -4.609432     -7.320050      1.082194
  H      -2.110939     -3.250646      1.183886
  H      -3.739702     -3.713939      0.666526
  H      -1.703355     -5.313784      2.309865
  H      -2.420141     -5.793947      0.750673
  C      -3.678677     -1.850929      2.737103
  C      -2.559478     -1.046686      3.012672
  C      -2.677082      0.338745      3.064150
  C      -3.917624      0.920083      2.828824
  F      -4.028334      2.259756      2.928174
  C      -5.047767      0.151981      2.518121
  C      -6.375177      0.720038      2.228136
  O      -7.405977      0.060381      2.159838
  C      -6.542817      2.161113      1.731906
  O      -5.978071      2.553265      0.738639
  C      -7.617128      2.983612      2.482732
  O      -7.910334      2.806113      3.623109
  Cl     -8.286385      4.304588      1.482779
  C      -4.902709     -1.244032      2.477862
  C      -7.411117     -4.952366      3.903117
  C      -8.302714     -5.849551      4.515317
  C      -9.246843     -5.356233      5.422018
  C      -9.241758     -4.004424      5.773364
  F     -10.031061     -3.599921      6.793508
  C      -8.392838     -3.092625      5.144267
  C      -8.021332     -1.692843      5.598993
  O      -8.828572     -0.768887      5.697321
  C      -6.585360     -1.566811      5.822838
  O      -5.849414     -2.790205      6.126605
  C      -5.888564     -0.353124      5.957081
  O      -6.245723      0.787746      5.826153
  Cl     -4.020633     -0.631077      6.350400
  C      -7.601601     -3.586024      4.113095
  C      -3.502503     -5.729634      6.560648
  C      -2.334610     -5.823924      7.346807
  C      -2.402766     -5.807986      8.737539
  C      -3.644499     -5.709498      9.350153
  F      -3.700551     -5.663967     10.701788
  C      -4.830734     -5.644454      8.606020
  C      -6.165835     -5.565986      9.221535
  O      -7.204230     -5.355353      8.606132
  C      -6.390420     -5.879175     10.706697
  O      -6.405567     -7.013091     11.121216
  C      -6.745979     -4.639704     11.560326
  O      -6.497538     -3.524707     11.209552
  Cl     -7.465615     -5.050194     13.128117
  C      -4.738660     -5.658825      7.207322
  H      -1.599283     -1.519219      3.225439
  H      -1.830158      0.974392      3.321060
  H      -5.777931     -1.841690      2.222291
  H      -8.214132     -6.926254      4.363829
  H      -9.921778     -6.033690      5.946022
  H      -6.964525     -2.878004      3.586430
  H      -1.357392     -5.876350      6.865404
  H      -1.502287     -5.851293      9.350091
  H      -5.667529     -5.629502      6.635698
  N      -5.202472     -3.390332      5.173803
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641765286637
  N      -3.556857     -3.273681      2.730621
  C      -3.003078     -3.823633      1.485650
  C      -2.617662     -5.274053      1.703534
  N      -3.682585     -5.978427      2.470936
  C      -4.836823     -6.378719      1.619358
  C      -6.084775     -6.497716      2.481780
  N      -6.168413     -5.305117      3.325843
  Mo     -4.486478     -4.473790      3.996031
  N      -3.440310     -5.711462      5.153049
  C      -2.477486     -6.614665      4.507682
  C      -3.121211     -7.128812      3.230122
  H      -2.252146     -7.465157      5.169531
  H      -1.521470     -6.103842      4.297285
  H      -3.953617     -7.793674      3.495893
  H      -2.410706     -7.692210      2.602294
  H      -6.972841     -6.565292      1.833464
  H      -6.059358     -7.418228      3.093500
  H      -4.988874     -5.584834      0.875214
  H      -4.613013     -7.317384      1.085220
  H      -2.110448     -3.250604      1.184182
  H      -3.739599     -3.713548      0.667662
  H      -1.702576     -5.313890      2.309871
  H      -2.420906     -5.794138      0.751429
  C      -3.681500     -1.851153      2.736830
  C      -2.567457     -1.043438      3.022772
  C      -2.689833      0.341625      3.073734
  C      -3.929997      0.919082      2.827759
  F      -4.046668      2.257980      2.929940
  C      -5.054915      0.147510      2.506653
  C      -6.382006      0.711086      2.208045
  O      -7.409509      0.047162      2.128417
  C      -6.553453      2.153440      1.717605
  O      -5.990218      2.551095      0.725652
  C      -7.631443      2.969360      2.470833
  O      -7.930661      2.781675      3.608093
  Cl     -8.298762      4.296405      1.478243
  C      -4.905048     -1.248087      2.466590
  C      -7.407858     -4.942372      3.906074
  C      -8.304654     -5.835749      4.516042
  C      -9.248478     -5.338137      5.420861
  C      -9.238250     -3.986131      5.771908
  F     -10.027817     -3.578013      6.790468
  C      -8.384257     -3.078169      5.144106
  C      -8.008193     -1.679340      5.597828
  O      -8.812337     -0.752474      5.694392
  C      -6.572101     -1.558501      5.824407
  O      -5.841701     -2.784834      6.130315
  C      -5.871220     -0.347497      5.959041
  O      -6.223978      0.794600      5.827233
  Cl     -4.005365     -0.632487      6.358965
  C      -7.593243     -3.575292      4.115075
  C      -3.498717     -5.734474      6.562382
  C      -2.331328     -5.833750      7.348838
  C      -2.399797     -5.819673      8.739525
  C      -3.641279     -5.718038      9.352166
  F      -3.697412     -5.673911     10.703744
  C      -4.827068     -5.647929      8.607813
  C      -6.161839     -5.565813      9.223151
  O      -7.199506     -5.350821      8.607803
  C      -6.390446     -5.887918     10.705514
  O      -6.398312     -7.023850     11.114845
  C      -6.753133     -4.654682     11.565051
  O      -6.500715     -3.537224     11.225190
  Cl     -7.485346     -5.076634     13.124077
  C      -4.734764     -5.660629      7.209068
  H      -1.608178     -1.513306      3.245212
  H      -1.847603      0.979737      3.339735
  H      -5.776478     -1.848364      2.204002
  H      -8.220586     -6.912836      4.364622
  H      -9.927602     -6.012393      5.943574
  H      -6.950902     -2.870925      3.590534
  H      -1.354153     -5.888876      6.867648
  H      -1.499574     -5.866688      9.352188
  H      -5.663466     -5.627685      6.637376
  N      -5.194492     -3.387370      5.178862
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641794093693
  N      -3.561028     -3.273149      2.733725
  C      -3.008067     -3.821042      1.487926
  C      -2.619423     -5.270978      1.705070
  N      -3.681584     -5.976771      2.474776
  C      -4.838094     -6.376092      1.625761
  C      -6.083849     -6.495035      2.491311
  N      -6.165381     -5.301676      3.334885
  Mo     -4.481820     -4.474077      4.004441
  N      -3.433947     -5.716049      5.156490
  C      -2.471827     -6.617245      4.507620
  C      -3.117821     -7.128767      3.229913
  H      -2.244916     -7.469375      5.166889
  H      -1.516255     -6.105791      4.296825
  H      -3.949130     -7.794882      3.495919
  H      -2.408336     -7.690263      2.599242
  H      -6.973621     -6.562582      1.845324
  H      -6.057256     -7.415076      3.103609
  H      -4.991956     -5.582151      0.882134
  H      -4.616258     -7.314778      1.090763
  H      -2.116916     -3.246000      1.185676
  H      -3.745399     -3.712062      0.670418
  H      -1.702847     -5.309203      2.309232
  H      -2.423899     -5.790519      0.752382
  C      -3.693076     -1.850987      2.738475
  C      -2.588224     -1.038283      3.044788
  C      -2.716582      0.346448      3.092622
  C      -3.954003      0.918343      2.823272
  F      -4.079471      2.256941      2.922250
  C      -5.070042      0.142038      2.483063
  C      -6.393456      0.702270      2.165300
  O      -7.418892      0.036999      2.068608
  C      -6.561624      2.147388      1.682723
  O      -6.006557      2.544317      0.685725
  C      -7.623941      2.969436      2.451524
  O      -7.923309      2.768514      3.586650
  Cl     -8.275230      4.319381      1.481170
  C      -4.914334     -1.253150      2.445886
  C      -7.404930     -4.933392      3.911102
  C      -8.309146     -5.821451      4.517481
  C      -9.253512     -5.318527      5.419030
  C      -9.236950     -3.966560      5.769910
  F     -10.027496     -3.553750      6.785793
  C      -8.376082     -3.063670      5.144246
  C      -7.995189     -1.665864      5.596275
  O      -8.796209     -0.735796      5.688966
  C      -6.559182     -1.550253      5.826251
  O      -5.835404     -2.779323      6.136070
  C      -5.854437     -0.342253      5.961319
  O      -6.202432      0.800974      5.828015
  Cl     -3.990782     -0.634989      6.371800
  C      -7.584158     -3.565144      4.118627
  C      -3.491693     -5.742116      6.565631
  C      -2.324311     -5.847033      7.351602
  C      -2.391823     -5.834949      8.742268
  C      -3.632444     -5.729541      9.356038
  F      -3.687555     -5.686754     10.707538
  C      -4.818340     -5.653576      8.612363
  C      -6.151851     -5.566533      9.228984
  O      -7.189365     -5.345712      8.615029
  C      -6.384954     -5.902177     10.707153
  O      -6.379308     -7.040883     11.109024
  C      -6.762344     -4.679381     11.574981
  O      -6.505459     -3.557832     11.252586
  Cl     -7.514579     -5.120227     13.119422
  C      -4.727011     -5.664683      7.213500
  H      -1.632017     -1.504639      3.286844
  H      -1.881753      0.987452      3.374367
  H      -5.779264     -1.857156      2.170083
  H      -8.231024     -6.899017      4.366175
  H      -9.938670     -5.988590      5.939241
  H      -6.934812     -2.865561      3.596608
  H      -1.347642     -5.905377      6.869741
  H      -1.491343     -5.886070      9.354233
  H      -5.656005     -5.627385      6.642546
  N      -5.187009     -3.385936      5.187728
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641829832549
  N      -3.557873     -3.272008      2.739375
  C      -3.009835     -3.818448      1.491339
  C      -2.620891     -5.268825      1.706741
  N      -3.680554     -5.973915      2.480476
  C      -4.842239     -6.368747      1.636376
  C      -6.084483     -6.483525      2.507592
  N      -6.158077     -5.288942      3.350542
  Mo     -4.469147     -4.471828      4.017638
  N      -3.422533     -5.723286      5.161833
  C      -2.464309     -6.623876      4.506779
  C      -3.115869     -7.129569      3.229435
  H      -2.236650     -7.478954      5.161984
  H      -1.508383     -6.113678      4.294618
  H      -3.947328     -7.795157      3.496326
  H      -2.409903     -7.690205      2.594081
  H      -6.977505     -6.548247      1.865858
  H      -6.058267     -7.403007      3.120655
  H      -4.997012     -5.574291      0.893565
  H      -4.626203     -7.308095      1.100125
  H      -2.119613     -3.243048      1.186713
  H      -3.749534     -3.708791      0.675936
  H      -1.702005     -5.307553      2.307372
  H      -2.429251     -5.788121      0.753122
  C      -3.703211     -1.850961      2.741352
  C      -2.616788     -1.027822      3.082689
  C      -2.760586      0.355454      3.129932
  C      -3.995487      0.914527      2.826302
  F      -4.140259      2.251065      2.927915
  C      -5.092568      0.127279      2.450513
  C      -6.413001      0.674325      2.103623
  O      -7.427676     -0.001552      1.971314
  C      -6.587870      2.124350      1.641302
  O      -6.028067      2.540073      0.654550
  C      -7.663709      2.923907      2.414936
  O      -7.995008      2.678200      3.532634
  Cl     -8.283507      4.314090      1.482184
  C      -4.921032     -1.265719      2.412610
  C      -7.396432     -4.905954      3.919301
  C      -8.315550     -5.781277      4.521448
  C      -9.259770     -5.264712      5.415652
  C      -9.229279     -3.912133      5.763520
  F     -10.021408     -3.487175      6.773054
  C      -8.353517     -3.021563      5.140988
  C      -7.957955     -1.626588      5.588633
  O      -8.748401     -0.686621      5.672684
  C      -6.521882     -1.527087      5.825885
  O      -5.816077     -2.764794      6.145072
  C      -5.804227     -0.326866      5.958715
  O      -6.136457      0.819426      5.811834
  Cl     -3.950185     -0.639490      6.400522
  C      -7.561025     -3.535074      4.122121
  C      -3.480159     -5.756665      6.570542
  C      -2.313759     -5.877082      7.355936
  C      -2.380727     -5.871738      8.746630
  C      -3.620060     -5.757497      9.361560
  F      -3.674371     -5.720722     10.713019
  C      -4.805255     -5.665771      8.618330
  C      -6.137204     -5.568072      9.235834
  O      -7.172266     -5.328046      8.624529
  C      -6.378866     -5.926225     10.706717
  O      -6.363117     -7.070098     11.093701
  C      -6.777250     -4.719992     11.587884
  O      -6.511429     -3.592693     11.294173
  Cl     -7.566516     -5.189715     13.105456
  C      -4.714399     -5.670413      7.219486
  H      -1.664516     -1.485706      3.354370
  H      -1.941352      1.003671      3.439386
  H      -5.771617     -1.878026      2.110923
  H      -8.250003     -6.860076      4.372868
  H      -9.956918     -5.924901      5.932552
  H      -6.897996     -2.845162      3.604541
  H      -1.337825     -5.942318      6.873462
  H      -1.480552     -5.934531      9.357954
  H      -5.643176     -5.621132      6.649100
  N      -5.167118     -3.379862      5.202240
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641894713955
  N      -3.557475     -3.270921      2.745799
  C      -3.014410     -3.815215      1.495023
  C      -2.622743     -5.265459      1.707910
  N      -3.678550     -5.972235      2.485290
  C      -4.844618     -6.364276      1.645936
  C      -6.083094     -6.476797      2.522762
  N      -6.150662     -5.280556      3.364362
  Mo     -4.457709     -4.472286      4.030043
  N      -3.411840     -5.732651      5.166559
  C      -2.455556     -6.630432      4.505297
  C      -3.111067     -7.130792      3.227720
  H      -2.225567     -7.488223      5.156144
  H      -1.500150     -6.119551      4.292329
  H      -3.941530     -7.797548      3.494850
  H      -2.407352     -7.688868      2.587669
  H      -6.979354     -6.540791      1.885584
  H      -6.055323     -7.395083      3.137435
  H      -5.001541     -5.569231      0.904272
  H      -4.632778     -7.303674      1.108087
  H      -2.126246     -3.238111      1.187360
  H      -3.757130     -3.705885      0.682191
  H      -1.701429     -5.303493      2.304911
  H      -2.434232     -5.783570      0.753021
  C      -3.716811     -1.851261      2.745476
  C      -2.652156     -1.017715      3.126769
  C      -2.812250      0.363892      3.173958
  C      -4.042426      0.909641      2.831610
  F      -4.208191      2.243932      2.935276
  C      -5.117336      0.111592      2.415724
  C      -6.433393      0.645752      2.037667
  O      -7.435941     -0.039607      1.867636
  C      -6.613342      2.102297      1.600565
  O      -6.056278      2.534661      0.619224
  C      -7.687329      2.884827      2.392992
  O      -8.044054      2.589452      3.491078
  Cl     -8.268191      4.327757      1.517323
  C      -4.929018     -1.278793      2.376769
  C      -7.388726     -4.883276      3.923413
  C      -8.323576     -5.745797      4.519320
  C      -9.269149     -5.215728      5.404417
  C      -9.225416     -3.862728      5.749714
  F     -10.020628     -3.425647      6.751417
  C      -8.333805     -2.984540      5.132157
  C      -7.923877     -1.592665      5.576356
  O      -8.703579     -0.642694      5.649409
  C      -6.488687     -1.509900      5.825231
  O      -5.802582     -2.756816      6.153108
  C      -5.758532     -0.318125      5.962015
  O      -6.073181      0.831388      5.801935
  Cl     -3.917959     -0.652290      6.446624
  C      -7.539311     -3.509912      4.121090
  C      -3.468997     -5.773029      6.574836
  C      -2.303419     -5.908129      7.359166
  C      -2.369266     -5.908359      8.749924
  C      -3.606989     -5.784392      9.366342
  F      -3.659949     -5.751648     10.717745
  C      -4.791699     -5.677719      8.624007
  C      -6.121595     -5.566259      9.242923
  O      -7.154019     -5.307587      8.634479
  C      -6.369717     -5.937327     10.709031
  O      -6.350662     -7.084160     11.087289
  C      -6.781974     -4.740728     11.596608
  O      -6.507844     -3.610635     11.321986
  Cl     -7.599875     -5.226501     13.094225
  C      -4.701821     -5.677688      7.225289
  H      -1.705842     -1.467063      3.431268
  H      -2.010880      1.018736      3.514435
  H      -5.762899     -1.899422      2.045940
  H      -8.270365     -6.825656      4.373424
  H      -9.979177     -5.866054      5.916281
  H      -6.862501     -2.829349      3.609112
  H      -1.328473     -5.979771      6.875607
  H      -1.469259     -5.982004      9.360263
  H      -5.630367     -5.616182      6.655731
  N      -5.151180     -3.378705      5.216216
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641957434455
  N      -3.561228     -3.269668      2.752436
  C      -3.022759     -3.811084      1.498560
  C      -2.625295     -5.260438      1.708173
  N      -3.675577     -5.971906      2.488644
  C      -4.844768     -6.363798      1.653644
  C      -6.079238     -6.477060      2.535853
  N      -6.143912     -5.278596      3.375164
  Mo     -4.449071     -4.475841      4.040451
  N      -3.402900     -5.743571      5.170072
  C      -2.445725     -6.635760      4.503114
  C      -3.102794     -7.132053      3.224558
  H      -2.211254     -7.495639      5.149604
  H      -1.492029     -6.121582      4.290058
  H      -3.930664     -7.802250      3.491181
  H      -2.399458     -7.685486      2.580129
  H      -6.978653     -6.543404      1.903530
  H      -6.047173     -7.393298      3.153230
  H      -5.005648     -5.568122      0.913554
  H      -4.634694     -7.302391      1.113701
  H      -2.138045     -3.230569      1.187189
  H      -3.769046     -3.703450      0.688616
  H      -1.701479     -5.296144      2.301522
  H      -2.438791     -5.776226      0.751636
  C      -3.733710     -1.851605      2.750834
  C      -2.692151     -1.009177      3.173135
  C      -2.867540      0.370747      3.221254
  C      -4.090954      0.904128      2.839899
  F      -4.278287      2.236075      2.946382
  C      -5.142367      0.096800      2.383008
  C      -6.452891      0.620129      1.975887
  O      -7.444169     -0.071527      1.771470
  C      -6.633736      2.083609      1.565204
  O      -6.087370      2.526524      0.582188
  C      -7.687546      2.858021      2.389915
  O      -8.065533      2.511330      3.466181
  Cl     -8.216443      4.363553      1.589610
  C      -4.938222     -1.290608      2.342295
  C      -7.382918     -4.869055      3.922867
  C      -8.332919     -5.719938      4.510822
  C      -9.281432     -5.177962      5.385852
  C      -9.226588     -3.824765      5.729381
  F     -10.025878     -3.376803      6.722642
  C      -8.319922     -2.957759      5.117974
  C      -7.897604     -1.568550      5.559207
  O      -8.667899     -0.609807      5.619615
  C      -6.464190     -1.500827      5.822556
  O      -5.798140     -2.756779      6.158721
  C      -5.723270     -0.317104      5.966519
  O      -6.019985      0.835179      5.792741
  Cl     -3.899597     -0.671811      6.502825
  C      -7.521949     -3.493474      4.115046
  C      -3.459244     -5.790002      6.577950
  C      -2.294137     -5.937402      7.360773
  C      -2.358163     -5.941462      8.751659
  C      -3.594048     -5.807545      9.369818
  F      -3.645138     -5.776309     10.721183
  C      -4.778625     -5.687978      8.628795
  C      -6.105835     -5.559739      9.249748
  O      -7.135874     -5.285429      8.644002
  C      -6.357150     -5.932528     10.714517
  O      -6.341096     -7.079894     11.091511
  C      -6.775678     -4.737283     11.600707
  O      -6.495885     -3.607069     11.332398
  Cl     -7.610955     -5.224745     13.088578
  C      -4.690342     -5.685965      7.230318
  H      -1.753688     -1.451207      3.510612
  H      -2.084516      1.030439      3.593324
  H      -5.754663     -1.918614      1.982159
  H      -8.290636     -6.800598      4.367188
  H     -10.004059     -5.819455      5.891214
  H      -6.832521     -2.820798      3.609650
  H      -1.320389     -6.014153      6.875602
  H      -1.458081     -6.023985      9.360704
  H      -5.618662     -5.612690      6.661796
  N      -5.142057     -3.383380      5.228098
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.641506170833
  N      -3.525026     -3.292185      2.737017
  C      -2.993402     -3.843472      1.483775
  C      -2.611751     -5.293379      1.704818
  N      -3.672871     -5.985778      2.488645
  C      -4.845787     -6.370098      1.653853
  C      -6.086043     -6.456328      2.532089
  N      -6.134067     -5.255273      3.364613
  Mo     -4.428175     -4.473387      4.032907
  N      -3.399248     -5.740581      5.173210
  C      -2.452145     -6.648531      4.510072
  C      -3.115007     -7.145772      3.236167
  H      -2.232093     -7.508400      5.161461
  H      -1.493251     -6.145975      4.295089
  H      -3.953094     -7.802402      3.505014
  H      -2.417333     -7.712092      2.596925
  H      -6.980939     -6.512785      1.892301
  H      -6.069466     -7.372883      3.150032
  H      -4.990965     -5.579679      0.904844
  H      -4.645117     -7.317513      1.126389
  H      -2.102668     -3.274515      1.169697
  H      -3.742605     -3.735969      0.677762
  H      -1.690353     -5.334410      2.301733
  H      -2.429371     -5.822372      0.754800
  C      -3.712624     -1.871933      2.737759
  C      -2.693868     -1.022894      3.200115
  C      -2.898715      0.352710      3.269543
  C      -4.122287      0.880764      2.868164
  F      -4.303877      2.209109      2.971664
  C      -5.151720      0.069952      2.369606
  C      -6.470627      0.580986      1.936271
  O      -7.423283     -0.144371      1.661192
  C      -6.728932      2.061368      1.602176
  O      -6.190205      2.603479      0.669503
  C      -7.861023      2.722119      2.432537
  O      -8.226307      2.325936      3.491950
  Cl     -8.451846      4.224837      1.683634
  C      -4.920522     -1.317884      2.309283
  C      -7.364839     -4.817186      3.902114
  C      -8.328028     -5.649390      4.500335
  C      -9.272739     -5.077286      5.356719
  C      -9.201592     -3.718880      5.677273
  F     -10.011723     -3.245951      6.652285
  C      -8.273751     -2.872005      5.069414
  C      -7.827747     -1.490879      5.519387
  O      -8.566133     -0.508172      5.573305
  C      -6.399116     -1.465991      5.810759
  O      -5.747296     -2.724524      6.142760
  C      -5.627670     -0.304316      6.014742
  O      -5.889022      0.861305      5.870385
  Cl     -3.819402     -0.707267      6.549794
  C      -7.477001     -3.439301      4.082450
  C      -3.456374     -5.781224      6.581752
  C      -2.295237     -5.938278      7.368607
  C      -2.366581     -5.936793      8.759218
  C      -3.602818     -5.798717      9.374585
  F      -3.655259     -5.770869     10.725959
  C      -4.784617     -5.679055      8.630509
  C      -6.120240     -5.571597      9.241552
  O      -7.144040     -5.293864      8.627764
  C      -6.381183     -5.952541     10.705638
  O      -6.374089     -7.102131     11.074029
  C      -6.772545     -4.759276     11.608765
  O      -6.479793     -3.631244     11.346918
  Cl     -7.598409     -5.250166     13.098952
  C      -4.690579     -5.670423      7.230265
  H      -1.754944     -1.453654      3.548740
  H      -2.141363      1.025155      3.670771
  H      -5.717921     -1.949165      1.915846
  H      -8.295006     -6.732662      4.376323
  H     -10.006116     -5.701289      5.868529
  H      -6.775674     -2.785492      3.568414
  H      -1.319158     -6.028971      6.890763
  H      -1.469193     -6.027766      9.371346
  H      -5.618607     -5.605380      6.660855
  N      -5.102435     -3.362736      5.216524
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.642089983829
  N      -3.557165     -3.280526      2.751919
  C      -3.025580     -3.822389      1.494368
  C      -2.625088     -5.269219      1.705606
  N      -3.673458     -5.980471      2.489125
  C      -4.844159     -6.375070      1.656520
  C      -6.078901     -6.480239      2.539639
  N      -6.139719     -5.277806      3.371224
  Mo     -4.441894     -4.483403      4.041532
  N      -3.400766     -5.750493      5.174293
  C      -2.441755     -6.640105      4.504988
  C      -3.098437     -7.137855      3.227640
  H      -2.206653     -7.500482      5.150516
  H      -1.489962     -6.122916      4.291809
  H      -3.926400     -7.808273      3.493648
  H      -2.393911     -7.690076      2.583668
  H      -6.977084     -6.550221      1.906079
  H      -6.045778     -7.393818      3.160986
  H      -5.002879     -5.582257      0.912841
  H      -4.634279     -7.316670      1.122212
  H      -2.143319     -3.241780      1.177427
  H      -3.778533     -3.719756      0.690793
  H      -1.700388     -5.302591      2.297949
  H      -2.440265     -5.788378      0.750635
  C      -3.747524     -1.862339      2.755817
  C      -2.741726     -1.014236      3.246448
  C      -2.943843      0.362384      3.309392
  C      -4.153391      0.888394      2.870510
  F      -4.346952      2.218261      2.968253
  C      -5.169718      0.077259      2.345910
  C      -6.470773      0.596697      1.880456
  O      -7.432215     -0.111114      1.598231
  C      -6.676244      2.080220      1.532586
  O      -6.148629      2.570145      0.563722
  C      -7.723701      2.817114      2.402686
  O      -8.106950      2.417112      3.455764
  Cl     -8.205730      4.382630      1.702267
  C      -4.942442     -1.309172      2.295593
  C      -7.376690     -4.848003      3.901676
  C      -8.342367     -5.683703      4.489235
  C      -9.293707     -5.119058      5.344183
  C      -9.227308     -3.762566      5.672905
  F     -10.040014     -3.295539      6.647623
  C      -8.300177     -2.911179      5.070404
  C      -7.861400     -1.528184      5.520545
  O      -8.608688     -0.551361      5.568676
  C      -6.434742     -1.494319      5.819007
  O      -5.787304     -2.755912      6.152843
  C      -5.672182     -0.328966      6.024005
  O      -5.935456      0.834437      5.868478
  Cl     -3.872087     -0.727698      6.599737
  C      -7.497240     -3.469812      4.082834
  C      -3.452631     -5.794912      6.582588
  C      -2.287190     -5.947811      7.363758
  C      -2.350724     -5.948026      8.754837
  C      -3.584637     -5.811251      9.375443
  F      -3.631397     -5.780259     10.727126
  C      -4.770392     -5.692834      8.636706
  C      -6.100773     -5.573193      9.256169
  O      -7.128460     -5.296408      8.648605
  C      -6.347535     -5.934215     10.727172
  O      -6.351910     -7.079787     11.108385
  C      -6.727962     -4.726941     11.615692
  O      -6.444029     -3.602295     11.330184
  Cl     -7.526829     -5.194531     13.128747
  C      -4.683473     -5.687574      7.237014
  H      -1.814400     -1.447283      3.622538
  H      -2.193367      1.029794      3.731205
  H      -5.730940     -1.941683      1.885086
  H      -8.307709     -6.766380      4.360251
  H     -10.029417     -5.747131      5.847631
  H      -6.797064     -2.809608      3.574335
  H      -1.313531     -6.031189      6.879691
  H      -1.450061     -6.034887      9.362587
  H      -5.613432     -5.618591      6.671090
  N      -5.131419     -3.387288      5.228915
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.642335201928
  N      -3.568811     -3.276870      2.758772
  C      -3.042747     -3.814742      1.497645
  C      -2.634053     -5.260407      1.704567
  N      -3.675307     -5.979352      2.490962
  C      -4.847133     -6.378302      1.662229
  C      -6.077474     -6.488287      2.550734
  N      -6.140187     -5.282262      3.378069
  Mo     -4.443540     -4.487436      4.048668
  N      -3.399271     -5.757870      5.176461
  C      -2.435713     -6.638396      4.502253
  C      -3.091509     -7.135822      3.224137
  H      -2.192147     -7.499270      5.144078
  H      -1.487658     -6.114260      4.288687
  H      -3.914327     -7.812645      3.489819
  H      -2.384836     -7.681594      2.576995
  H      -6.978914     -6.565376      1.922806
  H      -6.036015     -7.398408      3.176506
  H      -5.012630     -5.585643      0.919927
  H      -4.635486     -7.318474      1.125981
  H      -2.165184     -3.229191      1.176348
  H      -3.800071     -3.714391      0.697531
  H      -1.706585     -5.290353      2.292731
  H      -2.450469     -5.775655      0.747194
  C      -3.766207     -1.860816      2.766248
  C      -2.784919     -1.010470      3.300210
  C      -2.997098      0.364109      3.365935
  C      -4.192976      0.882298      2.887160
  F      -4.410151      2.209032      2.996894
  C      -5.182196      0.067219      2.318642
  C      -6.467666      0.582665      1.818784
  O      -7.415685     -0.123346      1.494123
  C      -6.659582      2.071587      1.500207
  O      -6.130832      2.572653      0.536765
  C      -7.688010      2.795100      2.399815
  O      -8.119609      2.330220      3.408533
  Cl     -8.091091      4.425569      1.801735
  C      -4.945278     -1.315177      2.265230
  C      -7.379092     -4.844652      3.897829
  C      -8.354678     -5.672125      4.479576
  C      -9.307907     -5.100311      5.328300
  C      -9.234384     -3.743785      5.655273
  F     -10.047665     -3.269048      6.625419
  C      -8.299260     -2.900156      5.054512
  C      -7.854918     -1.517547      5.498250
  O      -8.598072     -0.536545      5.529014
  C      -6.431245     -1.488983      5.809031
  O      -5.798429     -2.758092      6.154996
  C      -5.668316     -0.324221      6.008580
  O      -5.924665      0.837506      5.831374
  Cl     -3.886885     -0.723856      6.642329
  C      -7.493771     -3.464529      4.072262
  C      -3.446594     -5.805245      6.584372
  C      -2.278936     -5.964230      7.361016
  C      -2.337167     -5.967987      8.752399
  C      -3.568418     -5.825470      9.377230
  F      -3.611197     -5.796346     10.729228
  C      -4.755862     -5.697513      8.642615
  C      -6.082160     -5.565022      9.267603
  O      -7.110437     -5.280838      8.664651
  C      -6.323588     -5.927632     10.738539
  O      -6.330057     -7.073924     11.117796
  C      -6.703687     -4.720733     11.627442
  O      -6.424463     -3.595240     11.339890
  Cl     -7.494267     -5.189281     13.145068
  C      -4.674050     -5.692326      7.243422
  H      -1.870486     -1.441546      3.708792
  H      -2.266986      1.031230      3.822410
  H      -5.715571     -1.951330      1.825806
  H      -8.327109     -6.755214      4.352221
  H     -10.051465     -5.722403      5.827637
  H      -6.786771     -2.809177      3.566298
  H      -1.307501     -6.048930      6.872741
  H      -1.434797     -6.059580      9.356845
  H      -5.605113     -5.614039      6.680452
  N      -5.137511     -3.394099      5.236355
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.642488879922
  N      -3.584867     -3.271315      2.769825
  C      -3.063393     -3.802971      1.504376
  C      -2.644626     -5.246652      1.705440
  N      -3.678456     -5.974837      2.493207
  C      -4.850842     -6.377903      1.667237
  C      -6.077239     -6.494556      2.560202
  N      -6.143119     -5.287046      3.385576
  Mo     -4.448201     -4.491540      4.058656
  N      -3.398430     -5.764536      5.179789
  C      -2.430266     -6.634843      4.499067
  C      -3.085331     -7.130728      3.219986
  H      -2.178682     -7.497232      5.135839
  H      -1.486317     -6.103136      4.285851
  H      -3.902971     -7.814295      3.484268
  H      -2.376303     -7.668803      2.569028
  H      -6.980888     -6.578129      1.936426
  H      -6.027286     -7.402757      3.187971
  H      -5.022832     -5.584710      0.927062
  H      -4.636467     -7.316076      1.128601
  H      -2.191215     -3.211364      1.179503
  H      -3.825542     -3.705733      0.708379
  H      -1.714693     -5.272713      2.289898
  H      -2.461499     -5.757164      0.745431
  C      -3.792702     -1.857316      2.781277
  C      -2.840374     -1.004610      3.361330
  C      -3.062453      0.368739      3.424765
  C      -4.238342      0.881418      2.895143
  F      -4.469584      2.207430      2.997640
  C      -5.198166      0.063284      2.282285
  C      -6.460628      0.580169      1.730068
  O      -7.394343     -0.122313      1.361091
  C      -6.634978      2.074611      1.427708
  O      -6.116499      2.570758      0.455895
  C      -7.625265      2.811177      2.357531
  O      -8.085934      2.321837      3.342107
  Cl     -7.947446      4.482136      1.828714
  C      -4.953701     -1.317238      2.234411
  C      -7.383463     -4.844672      3.896171
  C      -8.367437     -5.667467      4.470350
  C      -9.323262     -5.091916      5.313539
  C      -9.244663     -3.736232      5.642256
  F     -10.061161     -3.258111      6.608084
  C      -8.302181     -2.896809      5.047400
  C      -7.855042     -1.516618      5.495421
  O      -8.595047     -0.532943      5.520671
  C      -6.434617     -1.494589      5.819328
  O      -5.810942     -2.768641      6.165716
  C      -5.671154     -0.333555      6.036030
  O      -5.920798      0.829813      5.861078
  Cl     -3.901766     -0.743350      6.699983
  C      -7.493441     -3.463528      4.068999
  C      -3.439810     -5.815409      6.587420
  C      -2.269027     -5.976086      7.359121
  C      -2.321709     -5.982499      8.750744
  C      -3.550366     -5.839981      9.380632
  F      -3.587945     -5.812476     10.732980
  C      -4.740569     -5.709677      8.650976
  C      -6.064128     -5.575227      9.281487
  O      -7.094647     -5.290725      8.682669
  C      -6.297437     -5.934608     10.754532
  O      -6.307509     -7.080455     11.135011
  C      -6.668783     -4.724831     11.643276
  O      -6.393918     -3.600002     11.348906
  Cl     -7.440256     -5.189106     13.172202
  C      -4.664403     -5.703020      7.251742
  H      -1.941840     -1.433104      3.806105
  H      -2.355970      1.036697      3.915765
  H      -5.703053     -1.956681      1.764008
  H      -8.344172     -6.750618      4.342659
  H     -10.073492     -5.710535      5.807195
  H      -6.781311     -2.810664      3.566391
  H      -1.299511     -6.059695      6.866914
  H      -1.416945     -6.075226      9.351416
  H      -5.597554     -5.622161      6.692613
  N      -5.145644     -3.403918      5.249584
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.642643842478
  N      -3.594478     -3.267207      2.779992
  C      -3.079002     -3.794018      1.510335
  C      -2.653625     -5.236442      1.706469
  N      -3.682179     -5.970723      2.495739
  C      -4.855937     -6.375278      1.672391
  C      -6.079087     -6.494768      2.569452
  N      -6.144767     -5.285787      3.392875
  Mo     -4.449558     -4.493685      4.068658
  N      -3.396985     -5.770673      5.183302
  C      -2.426813     -6.633832      4.496227
  C      -3.082830     -7.127136      3.216723
  H      -2.169662     -7.498050      5.128357
  H      -1.485635     -6.097242      4.282992
  H      -3.897157     -7.814990      3.480032
  H      -2.373051     -7.659883      2.562233
  H      -6.984839     -6.582063      1.949354
  H      -6.023613     -7.401447      3.198822
  H      -5.031955     -5.581676      0.933685
  H      -4.641108     -7.312432      1.132191
  H      -2.211013     -3.198355      1.181689
  H      -3.845922     -3.698798      0.718658
  H      -1.721571     -5.260421      2.287628
  H      -2.471845     -5.743486      0.744360
  C      -3.814469     -1.855474      2.794698
  C      -2.896535     -0.999782      3.423386
  C      -3.131951      0.371467      3.485208
  C      -4.285210      0.877687      2.903460
  F      -4.532016      2.202080      3.000190
  C      -5.209944      0.055963      2.243138
  C      -6.447428      0.570816      1.636546
  O      -7.357030     -0.132436      1.213491
  C      -6.618702      2.071149      1.362604
  O      -6.107490      2.580912      0.393908
  C      -7.592024      2.795206      2.319013
  O      -8.082017      2.271003      3.271518
  Cl     -7.856756      4.498012      1.868210
  C      -4.954393     -1.322174      2.199361
  C      -7.385180     -4.834725      3.894009
  C      -8.379403     -5.650250      4.460984
  C      -9.336466     -5.068152      5.298092
  C      -9.249450     -3.713313      5.627741
  F     -10.068303     -3.229281      6.588781
  C      -8.297400     -2.880756      5.038813
  C      -7.844248     -1.504220      5.491607
  O      -8.578123     -0.515780      5.511483
  C      -6.427236     -1.492444      5.829043
  O      -5.815146     -2.772654      6.176132
  C      -5.660969     -0.336804      6.063581
  O      -5.901955      0.828773      5.891584
  Cl     -3.905212     -0.759793      6.756642
  C      -7.486499     -3.452377      4.064948
  C      -3.432687     -5.825342      6.590633
  C      -2.259406     -5.990637      7.357680
  C      -2.307216     -6.000556      8.749490
  C      -3.533182     -5.856335      9.384174
  F      -3.565965     -5.831792     10.736850
  C      -4.725569     -5.720911      8.659182
  C      -6.046722     -5.584054      9.294483
  O      -7.078578     -5.296970      8.699377
  C      -6.274067     -5.944413     10.768259
  O      -6.286483     -7.090799     11.146966
  C      -6.639133     -4.734601     11.659651
  O      -6.367315     -3.609595     11.363007
  Cl     -7.396719     -5.199405     13.195440
  C      -4.654429     -5.711466      7.259903
  H      -2.015977     -1.424598      3.905800
  H      -2.454291      1.041344      4.012760
  H      -5.679043     -1.965360      1.696081
  H      -8.362842     -6.733514      4.333248
  H     -10.094821     -5.681149      5.786317
  H      -6.767330     -2.804369      3.565562
  H      -1.291729     -6.075042      6.862058
  H      -1.400489     -6.096742      9.346652
  H      -5.589384     -5.626259      6.704466
  N      -5.147286     -3.409278      5.262578
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.642834861577
  N      -3.600940     -3.262202      2.791755
  C      -3.092438     -3.784506      1.517704
  C      -2.662743     -5.226272      1.708600
  N      -3.687693     -5.965064      2.498624
  C      -4.862934     -6.369173      1.677164
  C      -6.083555     -6.489876      2.577570
  N      -6.147298     -5.280179      3.400106
  Mo     -4.450902     -4.493710      4.079411
  N      -3.396538     -5.775398      5.187149
  C      -2.426090     -6.633232      4.493485
  C      -3.084221     -7.122999      3.213842
  H      -2.164925     -7.499669      5.120987
  H      -1.486814     -6.093432      4.280086
  H      -3.896442     -7.813640      3.476289
  H      -2.374691     -7.651834      2.555914
  H      -6.991174     -6.578599      1.960495
  H      -6.024710     -7.395872      3.207495
  H      -5.041281     -5.574923      0.939799
  H      -4.648779     -7.305658      1.135554
  H      -2.227850     -3.185943      1.185435
  H      -3.864052     -3.690184      0.730515
  H      -1.728937     -5.249776      2.286929
  H      -2.482613     -5.729940      0.744406
  C      -3.833737     -1.852976      2.808786
  C      -2.953884     -0.994571      3.486170
  C      -3.202464      0.374462      3.543804
  C      -4.328981      0.874827      2.907986
  F      -4.589461      2.197821      2.996157
  C      -5.215612      0.049677      2.201162
  C      -6.423955      0.561184      1.536779
  O      -7.302371     -0.144520      1.056122
  C      -6.599213      2.066243      1.291943
  O      -6.090969      2.595701      0.332307
  C      -7.571128      2.768314      2.265849
  O      -8.087427      2.211329      3.185819
  Cl     -7.802124      4.491592      1.881783
  C      -4.948878     -1.326154      2.163325
  C      -7.386900     -4.819574      3.892908
  C      -8.391158     -5.627850      4.452726
  C      -9.348481     -5.039729      5.285106
  C      -9.251923     -3.686222      5.616980
  F     -10.072057     -3.196799      6.574418
  C      -8.290437     -2.860506      5.034150
  C      -7.831033     -1.488722      5.494277
  O      -8.558715     -0.495661      5.511917
  C      -6.417362     -1.487817      5.844246
  O      -5.816260     -2.774582      6.189356
  C      -5.648982     -0.338100      6.099567
  O      -5.882993      0.829999      5.935349
  Cl     -3.905268     -0.775152      6.814599
  C      -7.478334     -3.436217      4.063649
  C      -3.426148     -5.834370      6.594161
  C      -2.250223     -6.004671      7.356189
  C      -2.293039     -6.019452      8.748135
  C      -3.516266     -5.874790      9.387922
  F      -3.544199     -5.854995     10.740959
  C      -4.710911     -5.733948      8.667964
  C      -6.029835     -5.597611      9.308312
  O      -7.063450     -5.308883      8.717253
  C      -6.250672     -5.962153     10.782071
  O      -6.264917     -7.109914     11.156459
  C      -6.608528     -4.754271     11.679084
  O      -6.340075     -3.628458     11.382251
  Cl     -7.350199     -5.223009     13.221449
  C      -4.644949     -5.719993      7.268639
  H      -2.093817     -1.415592      4.007116
  H      -2.556762      1.046567      4.107309
  H      -5.646677     -1.972870      1.627441
  H      -8.381691     -6.711036      4.323688
  H     -10.114705     -5.647135      5.767983
  H      -6.752386     -2.793111      3.567145
  H      -1.284421     -6.089512      6.857051
  H      -1.384274     -6.119492      9.341566
  H      -5.581856     -5.630578      6.717174
  N      -5.147123     -3.412221      5.277084
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.643030021373
  N      -3.606635     -3.257851      2.802840
  C      -3.105128     -3.776026      1.524540
  C      -2.671576     -5.217184      1.710491
  N      -3.693336     -5.959970      2.501112
  C      -4.869972     -6.363383      1.681275
  C      -6.088508     -6.484535      2.584525
  N      -6.149983     -5.274166      3.406202
  Mo     -4.452285     -4.493911      4.089529
  N      -3.396571     -5.780352      5.190595
  C      -2.426155     -6.633402      4.490679
  C      -3.086380     -7.119503      3.210870
  H      -2.161563     -7.502001      5.113798
  H      -1.488507     -6.090844      4.277221
  H      -3.896871     -7.812491      3.472442
  H      -2.377273     -7.644828      2.549680
  H      -6.997747     -6.574129      1.970040
  H      -6.027126     -7.389942      3.214946
  H      -5.050011     -5.568621      0.944944
  H      -4.656675     -7.299437      1.138608
  H      -2.243802     -3.174814      1.188704
  H      -3.881248     -3.682689      0.741757
  H      -1.736189     -5.240367      2.286262
  H      -2.493056     -5.717794      0.744414
  C      -3.852167     -1.851093      2.821961
  C      -3.013884     -0.991208      3.548351
  C      -3.276125      0.375323      3.603113
  C      -4.372816      0.871180      2.914418
  F      -4.646706      2.192480      2.995513
  C      -5.217908      0.044236      2.160264
  C      -6.394877      0.552964      1.440151
  O      -7.237519     -0.154877      0.902223
  C      -6.579479      2.061921      1.225198
  O      -6.074292      2.613946      0.276812
  C      -7.555296      2.737208      2.214014
  O      -8.093811      2.148215      3.101126
  Cl     -7.763476      4.475903      1.894905
  C      -4.939477     -1.329219      2.126863
  C      -7.388627     -4.803712      3.890608
  C      -8.402790     -5.604487      4.443421
  C      -9.360257     -5.009967      5.270877
  C      -9.253932     -3.657822      5.604891
  F     -10.075230     -3.162709      6.558566
  C      -8.282781     -2.839230      5.028293
  C      -7.816811     -1.472499      5.496055
  O      -8.537762     -0.474464      5.511376
  C      -6.406814     -1.483263      5.859384
  O      -5.816789     -2.776325      6.201954
  C      -5.636472     -0.340096      6.137098
  O      -5.862971      0.830611      5.981256
  Cl     -3.905971     -0.792321      6.874746
  C      -7.469729     -3.419420      4.061202
  C      -3.420035     -5.843301      6.597338
  C      -2.241420     -6.018725      7.354121
  C      -2.278859     -6.037796      8.746189
  C      -3.499101     -5.892155      9.391332
  F      -3.521750     -5.876501     10.744655
  C      -4.696176     -5.746031      8.676671
  C      -6.012592     -5.609610      9.322475
  O      -7.048042     -5.318746      8.735888
  C      -6.226665     -5.977761     10.796394
  O      -6.242827     -7.126728     11.166920
  C      -6.576621     -4.771534     11.698828
  O      -6.310983     -3.645105     11.401708
  Cl     -7.303924     -5.243507     13.247025
  C      -4.635732     -5.727933      7.277252
  H      -2.176688     -1.409284      4.107300
  H      -2.665126      1.048470      4.202841
  H      -5.608059     -1.978187      1.557340
  H      -8.400544     -6.687562      4.313191
  H     -10.134379     -5.611512      5.748449
  H      -6.736972     -2.781722      3.567128
  H      -1.277643     -6.104365      6.851270
  H      -1.367944     -6.141721      9.335652
  H      -5.574669     -5.634253      6.729978
  N      -5.146734     -3.415045      5.290898
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.643234787091
  N      -3.611983     -3.252992      2.814330
  C      -3.118014     -3.767323      1.531671
  C      -2.681741     -5.208151      1.712531
  N      -3.701404     -5.954179      2.502999
  C      -4.878985     -6.356408      1.683973
  C      -6.096119     -6.477679      2.589156
  N      -6.155109     -5.267345      3.410888
  Mo     -4.456207     -4.493223      4.098906
  N      -3.398812     -5.783613      5.193508
  C      -2.429198     -6.632880      4.487413
  C      -3.092035     -7.115496      3.207840
  H      -2.161816     -7.503573      5.106461
  H      -1.492861     -6.088277      4.273585
  H      -3.901358     -7.810060      3.468812
  H      -2.383696     -7.638257      2.543774
  H      -7.006582     -6.566939      1.976488
  H      -6.033446     -7.383188      3.219205
  H      -5.059821     -5.561190      0.948396
  H      -4.666532     -7.292226      1.140582
  H      -2.259560     -3.164062      1.192315
  H      -3.898575     -3.674629      0.753395
  H      -1.745105     -5.231842      2.286199
  H      -2.504721     -5.705663      0.744587
  C      -3.869141     -1.848629      2.835694
  C      -3.073782     -0.989635      3.609965
  C      -3.347757      0.374368      3.662299
  C      -4.410880      0.868554      2.922241
  F      -4.695444      2.188422      2.997330
  C      -5.212698      0.042365      2.121338
  C      -6.351934      0.551001      1.343384
  O      -7.152898     -0.156913      0.745332
  C      -6.546404      2.062842      1.156768
  O      -6.032713      2.640333      0.228471
  C      -7.544991      2.706515      2.144400
  O      -8.107065      2.087809      2.996454
  Cl     -7.749081      4.453682      1.875148
  C      -4.924940     -1.329176      2.092107
  C      -7.392427     -4.788388      3.888826
  C      -8.414196     -5.583198      4.436425
  C      -9.370907     -4.984076      5.261194
  C      -9.255704     -3.633494      5.597892
  F     -10.076822     -3.134278      6.549813
  C      -8.277151     -2.820524      5.026153
  C      -7.806340     -1.458998      5.502839
  O      -8.521856     -0.457058      5.517522
  C      -6.400208     -1.479938      5.879014
  O      -5.818708     -2.778968      6.216209
  C      -5.631108     -0.342550      6.182406
  O      -5.854326      0.830501      6.039966
  Cl     -3.911297     -0.807524      6.936055
  C      -7.464323     -3.403387      4.060459
  C      -3.415137     -5.850099      6.600013
  C      -2.233071     -6.028950      7.350693
  C      -2.264283     -6.052534      8.742856
  C      -3.481370     -5.907902      9.394061
  F      -3.498100     -5.896861     10.747703
  C      -4.681445     -5.758102      8.685526
  C      -5.995242     -5.624923      9.337647
  O      -7.033593     -5.334669      8.756140
  C      -6.200398     -5.997413     10.811768
  O      -6.218041     -7.147823     11.177700
  C      -6.540003     -4.793226     11.720928
  O      -6.278483     -3.666012     11.422909
  Cl     -7.246757     -5.269230     13.277325
  C      -4.627426     -5.735499      7.286025
  H      -2.261644     -1.406609      4.205293
  H      -2.772858      1.046992      4.297258
  H      -5.562912     -1.978287      1.488683
  H      -8.417780     -6.666055      4.304529
  H     -10.151001     -5.580928      5.734887
  H      -6.726876     -2.770179      3.566757
  H      -1.271524     -6.114165      6.843572
  H      -1.350740     -6.159107      9.327776
  H      -5.568861     -5.639024      6.743537
  N      -5.148527     -3.417436      5.304654
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.643454731187
  N      -3.612997     -3.249182      2.824736
  C      -3.128516     -3.761241      1.537464
  C      -2.690995     -5.201995      1.714041
  N      -3.709847     -5.949506      2.504221
  C      -4.888218     -6.349951      1.685560
  C      -6.104895     -6.469019      2.591761
  N      -6.159839     -5.258723      3.413508
  Mo     -4.459253     -4.491819      4.106542
  N      -3.401459     -5.785676      5.195731
  C      -2.433741     -6.633270      4.484317
  C      -3.099748     -7.112755      3.205382
  H      -2.164917     -7.505745      5.100261
  H      -1.497949     -6.088101      4.269751
  H      -3.908872     -7.807527      3.466405
  H      -2.392840     -7.634711      2.539104
  H      -7.016280     -6.556217      1.980197
  H      -6.043260     -7.374885      3.221332
  H      -5.068263     -5.554920      0.949652
  H      -4.677322     -7.286395      1.142634
  H      -2.272678     -3.157065      1.193318
  H      -3.913995     -3.669396      0.764298
  H      -1.753459     -5.226809      2.286118
  H      -2.515444     -5.697202      0.744660
  C      -3.880916     -1.846969      2.847124
  C      -3.129051     -0.990677      3.666874
  C      -3.413808      0.370790      3.717777
  C      -4.442933      0.865401      2.931465
  F      -4.736901      2.183816      3.003031
  C      -5.201989      0.041712      2.087335
  C      -6.303922      0.549625      1.257276
  O      -7.058291     -0.158601      0.601738
  C      -6.517341      2.062494      1.098829
  O      -5.991946      2.670985      0.197547
  C      -7.553876      2.664841      2.074276
  O      -8.132574      2.014123      2.891012
  Cl     -7.780168      4.414683      1.844120
  C      -4.904180     -1.327763      2.059599
  C      -7.395291     -4.769884      3.885481
  C      -8.424289     -5.558117      4.429011
  C      -9.379631     -4.953690      5.251391
  C      -9.254715     -3.604509      5.589988
  F     -10.074661     -3.100253      6.540452
  C      -8.268713     -2.797949      5.022140
  C      -7.791972     -1.442258      5.508293
  O      -8.500725     -0.435475      5.521085
  C      -6.390298     -1.475208      5.899634
  O      -5.818551     -2.781117      6.229512
  C      -5.623191     -0.345563      6.234640
  O      -5.843416      0.830173      6.110591
  Cl     -3.915649     -0.826995      7.003553
  C      -7.456956     -3.384197      4.057783
  C      -3.411314     -5.855247      6.602088
  C      -2.226149     -6.036649      7.347326
  C      -2.251941     -6.064606      8.739543
  C      -3.466369     -5.921810      9.396017
  F      -3.478116     -5.915401     10.749949
  C      -4.669119     -5.769378      8.692931
  C      -5.980864     -5.641047      9.350536
  O      -7.022291     -5.354038      8.773198
  C      -6.176941     -6.016636     10.825155
  O      -6.198519     -7.168211     11.187167
  C      -6.502263     -4.813149     11.740523
  O      -6.244777     -3.685754     11.439442
  Cl     -7.186323     -5.290469     13.306485
  C      -4.620656     -5.742326      7.293427
  H      -2.342266     -1.407819      4.295014
  H      -2.874656      1.041846      4.384986
  H      -5.511494     -1.975320      1.424041
  H      -8.433921     -6.640777      4.295862
  H     -10.165472     -5.545260      5.722148
  H      -6.715155     -2.756201      3.563703
  H      -1.266488     -6.120851      6.836535
  H      -1.336089     -6.173155      9.320480
  H      -5.564313     -5.643920      6.755127
  N      -5.148614     -3.418710      5.316714
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.643670555651
  N      -3.614606     -3.247001      2.833030
  C      -3.139728     -3.757431      1.541234
  C      -2.700010     -5.197808      1.714317
  N      -3.717687     -5.946859      2.504436
  C      -4.896556     -6.346617      1.686111
  C      -6.113352     -6.463023      2.592660
  N      -6.164804     -5.252599      3.414081
  Mo     -4.463077     -4.492015      4.112216
  N      -3.404217     -5.788168      5.196779
  C      -2.437988     -6.634236      4.481037
  C      -3.106627     -7.111361      3.202764
  H      -2.167844     -7.507982      5.094605
  H      -1.502796     -6.088377      4.265737
  H      -3.915507     -7.806333      3.464085
  H      -2.400970     -7.632618      2.534592
  H      -7.025220     -6.548238      1.981560
  H      -6.053300     -7.369092      3.222039
  H      -5.075659     -5.552469      0.949062
  H      -4.686732     -7.284089      1.144576
  H      -2.287074     -3.152031      1.191635
  H      -3.930266     -3.667830      0.773347
  H      -1.761664     -5.222790      2.285032
  H      -2.525548     -5.691290      0.743887
  C      -3.892144     -1.846524      2.857205
  C      -3.185166     -0.995518      3.721707
  C      -3.481222      0.363103      3.775607
  C      -4.475377      0.861177      2.947457
  F      -4.778360      2.177894      3.018691
  C      -5.189863      0.043385      2.059860
  C      -6.253820      0.553982      1.182999
  O      -6.960157     -0.151158      0.472784
  C      -6.486709      2.067177      1.050362
  O      -5.946639      2.706328      0.179864
  C      -7.564381      2.628057      2.006745
  O      -8.157947      1.946316      2.786930
  Cl     -7.815179      4.378390      1.813490
  C      -4.882061     -1.324176      2.029895
  C      -7.398540     -4.754633      3.880541
  C      -8.433548     -5.536403      4.421761
  C      -9.387390     -4.926192      5.241540
  C      -9.253663     -3.577950      5.580489
  F     -10.072196     -3.068169      6.529257
  C      -8.261035     -2.777661      5.015164
  C      -7.778174     -1.427454      5.509339
  O      -8.479444     -0.415317      5.518818
  C      -6.381551     -1.473040      5.917120
  O      -5.819252     -2.784848      6.240351
  C      -5.617381     -0.351815      6.285464
  O      -5.834330      0.826334      6.179905
  Cl     -3.923040     -0.850105      7.070333
  C      -7.450648     -3.368239      4.052427
  C      -3.408162     -5.859812      6.603118
  C      -2.219911     -6.041963      7.343185
  C      -2.240165     -6.072454      8.735466
  C      -3.452020     -5.931674      9.396985
  F      -3.458630     -5.928034     10.751083
  C      -4.657687     -5.778881      8.699118
  C      -5.967230     -5.655081      9.362311
  O      -7.012012     -5.372005      8.789286
  C      -6.153960     -6.030058     10.838427
  O      -6.180027     -7.181798     11.199613
  C      -6.461697     -4.824859     11.757651
  O      -6.207273     -3.698356     11.450662
  Cl     -7.123322     -5.298775     13.334051
  C      -4.614788     -5.748956      7.299493
  H      -2.424708     -1.414945      4.379867
  H      -2.978286      1.029874      4.474693
  H      -5.458191     -1.967294      1.362057
  H      -8.448462     -6.619041      4.288897
  H     -10.178115     -5.512494      5.710664
  H      -6.705152     -2.745742      3.556492
  H      -1.262093     -6.124885      6.828772
  H      -1.321920     -6.181573      9.312502
  H      -5.560687     -5.650128      6.765181
  N      -5.149901     -3.421334      5.326453
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.643882112841
  N      -3.617044     -3.245318      2.840204
  C      -3.151705     -3.754712      1.544110
  C      -2.708878     -5.194332      1.714231
  N      -3.725230     -5.945313      2.504027
  C      -4.904259     -6.344852      1.685784
  C      -6.121490     -6.458695      2.592180
  N      -6.169833     -5.248240      3.413372
  Mo     -4.467497     -4.493152      4.116731
  N      -3.407000     -5.790925      5.196815
  C      -2.442065     -6.635662      4.477364
  C      -3.113098     -7.110814      3.199753
  H      -2.170677     -7.510367      5.088999
  H      -1.507451     -6.089154      4.261292
  H      -3.921677     -7.806007      3.461519
  H      -2.408648     -7.631388      2.529764
  H      -7.033605     -6.541831      1.981183
  H      -6.063369     -7.364989      3.221372
  H      -5.082342     -5.551844      0.947305
  H      -4.695127     -7.283413      1.145905
  H      -2.302833     -3.147710      1.188425
  H      -3.947457     -3.668526      0.781660
  H      -1.769919     -5.218678      2.283956
  H      -2.534825     -5.686213      0.742940
  C      -3.903227     -1.846467      2.866081
  C      -3.241071     -1.002543      3.772591
  C      -3.547417      0.353328      3.830665
  C      -4.505921      0.857156      2.964521
  F      -4.816821      2.172242      3.036679
  C      -5.175657      0.047434      2.035783
  C      -6.201425      0.562710      1.116751
  O      -6.860291     -0.137168      0.357219
  C      -6.454759      2.075286      1.007752
  O      -5.900765      2.743968      0.169135
  C      -7.571950      2.595482      1.942383
  O      -8.175699      1.884547      2.688182
  Cl     -7.851274      4.343886      1.781366
  C      -4.858904     -1.318482      2.002469
  C      -7.402049     -4.742265      3.874922
  C      -8.442310     -5.518285      4.413996
  C      -9.394798     -4.902903      5.231422
  C      -9.253115     -3.555577      5.570893
  F     -10.070229     -3.040837      6.518146
  C      -8.254447     -2.760908      5.008008
  C      -7.766010     -1.415919      5.510106
  O      -8.459602     -0.398374      5.514910
  C      -6.374998     -1.473895      5.935267
  O      -5.821681     -2.791364      6.250502
  C      -5.615869     -0.361667      6.339865
  O      -5.831140      0.818471      6.255603
  Cl     -3.933955     -0.876764      7.138550
  C      -7.445423     -3.355325      4.046671
  C      -3.405529     -5.864019      6.603221
  C      -2.214192     -6.045242      7.338449
  C      -2.228982     -6.076910      8.730791
  C      -3.438449     -5.938505      9.397042
  F      -3.439988     -5.936349     10.751236
  C      -4.647125     -5.787210      8.704090
  C      -5.954411     -5.667398      9.372685
  O      -7.002691     -5.389706      8.803544
  C      -6.131874     -6.038179     10.851158
  O      -6.163828     -7.189072     11.214542
  C      -6.419632     -4.828676     11.771211
  O      -6.166793     -3.704227     11.455485
  Cl     -7.058017     -5.294345     13.359399
  C      -4.609664     -5.755806      7.304308
  H      -2.507716     -1.425810      4.458385
  H      -3.080206      1.013881      4.559830
  H      -5.403808     -1.955055      1.303304
  H      -8.462020     -6.600872      4.281294
  H     -10.189932     -5.484451      5.698961
  H      -6.696482     -2.738032      3.549202
  H      -1.258144     -6.126447      6.820497
  H      -1.308347     -6.185353      9.304128
  H      -5.557770     -5.657888      6.773715
  N      -5.152410     -3.425543      5.335151
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644083529750
  N      -3.620282     -3.243832      2.846756
  C      -3.163908     -3.752324      1.546766
  C      -2.717824     -5.191140      1.714042
  N      -3.733022     -5.944348      2.503085
  C      -4.911915     -6.343718      1.684518
  C      -6.129832     -6.455373      2.590333
  N      -6.175570     -5.245063      3.411564
  Mo     -4.473048     -4.495028      4.120395
  N      -3.410541     -5.794096      5.196131
  C      -2.446835     -6.637595      4.473303
  C      -3.120013     -7.110828      3.196304
  H      -2.174325     -7.513180      5.083157
  H      -1.512754     -6.090486      4.256536
  H      -3.928403     -7.806164      3.458398
  H      -2.416697     -7.630728      2.524596
  H      -7.041957     -6.536376      1.979088
  H      -6.073785     -7.361993      3.219195
  H      -5.088883     -5.551752      0.944692
  H      -4.703162     -7.283221      1.146180
  H      -2.318963     -3.143537      1.185116
  H      -3.964734     -3.669826      0.789683
  H      -1.778435     -5.214765      2.283079
  H      -2.543821     -5.681275      0.741884
  C      -3.914044     -1.846638      2.875067
  C      -3.297782     -1.011624      3.821877
  C      -3.613874      0.341361      3.885325
  C      -4.535414      0.852879      2.984119
  F      -4.854694      2.165958      3.059380
  C      -5.158387      0.053345      2.015117
  C      -6.143966      0.576005      1.056991
  O      -6.753282     -0.115394      0.249629
  C      -6.418088      2.087087      0.972449
  O      -5.847601      2.786637      0.171241
  C      -7.578550      2.563431      1.878044
  O      -8.192875      1.822213      2.585107
  Cl     -7.889503      4.308214      1.748400
  C      -4.833353     -1.310999      1.977072
  C      -7.406438     -4.732334      3.868820
  C      -8.451104     -5.503441      4.406123
  C      -9.402183     -4.883721      5.221795
  C      -9.253496     -3.537342      5.561971
  F     -10.069067     -3.018473      6.508228
  C      -8.249805     -2.747409      5.001090
  C      -7.756494     -1.407327      5.510633
  O      -8.442728     -0.384721      5.510700
  C      -6.371354     -1.476829      5.952517
  O      -5.825912     -2.799424      6.260015
  C      -5.618626     -0.372964      6.391072
  O      -5.833515      0.808444      6.326133
  Cl     -3.948402     -0.902167      7.202863
  C      -7.442155     -3.344944      4.040623
  C      -3.403618     -5.868232      6.602607
  C      -2.209003     -6.048218      7.332696
  C      -2.217873     -6.080441      8.725082
  C      -3.424723     -5.943834      9.396319
  F      -3.420764     -5.942468     10.750578
  C      -4.636555     -5.794013      8.708574
  C      -5.941097     -5.676561      9.383062
  O      -6.992854     -5.403530      8.818185
  C      -6.108949     -6.041407     10.864278
  O      -6.147890     -7.190934     11.231272
  C      -6.374643     -4.826395     11.783681
  O      -6.122575     -3.704653     11.457805
  Cl     -6.988652     -5.281400     13.384329
  C      -4.605026     -5.762055      7.308629
  H      -2.592681     -1.440184      4.533525
  H      -3.182796      0.993877      4.643455
  H      -5.345582     -1.939114      1.246546
  H      -8.474997     -6.585957      4.273503
  H     -10.201010     -5.461199      5.688051
  H      -6.690441     -2.732194      3.541278
  H      -1.254946     -6.127970      6.810870
  H      -1.294707     -6.188070      9.294480
  H      -5.555423     -5.664971      6.781958
  N      -5.156646     -3.430834      5.342992
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644272425779
  N      -3.623540     -3.241375      2.853699
  C      -3.175703     -3.749262      1.550114
  C      -2.726597     -5.187279      1.714505
  N      -3.741247     -5.942747      2.501899
  C      -4.919575     -6.341501      1.682271
  C      -6.138524     -6.451487      2.586879
  N      -6.181931     -5.242039      3.409177
  Mo     -4.479588     -4.496378      4.123627
  N      -3.414793     -5.796439      5.194964
  C      -2.452621     -6.639312      4.469072
  C      -3.127972     -7.110483      3.192634
  H      -2.179524     -7.515801      5.077340
  H      -1.518774     -6.092091      4.251687
  H      -3.936485     -7.805626      3.454957
  H      -2.425903     -7.630013      2.519319
  H      -7.050405     -6.529660      1.974911
  H      -6.085111     -7.358979      3.214672
  H      -5.095078     -5.550259      0.941367
  H      -4.711008     -7.281704      1.145118
  H      -2.334612     -3.138792      1.182606
  H      -3.981440     -3.670364      0.798290
  H      -1.787155     -5.210399      2.283452
  H      -2.552023     -5.675399      0.741451
  C      -3.923600     -1.845752      2.883642
  C      -3.348898     -1.019762      3.864490
  C      -3.671621      0.331112      3.931561
  C      -4.558354      0.851057      3.000437
  F      -4.883546      2.162702      3.077843
  C      -5.138555      0.061710      1.997386
  C      -6.084346      0.592322      1.004195
  O      -6.646246     -0.090040      0.155582
  C      -6.378178      2.101019      0.939046
  O      -5.790782      2.828451      0.176122
  C      -7.581529      2.536761      1.809251
  O      -8.202503      1.769568      2.482447
  Cl     -7.929579      4.274786      1.696391
  C      -4.807770     -1.301578      1.955913
  C      -7.411713     -4.724714      3.863756
  C      -8.459483     -5.493117      4.398636
  C      -9.409594     -4.871624      5.213973
  C      -9.255670     -3.526500      5.556704
  F     -10.069920     -3.006017      6.503154
  C      -8.248372     -2.739154      4.998424
  C      -7.752008     -1.403953      5.517017
  O      -8.432291     -0.377300      5.514012
  C      -6.372474     -1.483299      5.974143
  O      -5.832232     -2.810501      6.270991
  C      -5.628131     -0.387632      6.446734
  O      -5.846222      0.794179      6.404572
  Cl     -3.965415     -0.928719      7.264023
  C      -7.441754     -3.337253      4.037578
  C      -3.402773     -5.871569      6.601546
  C      -2.204840     -6.048984      7.326736
  C      -2.208056     -6.081590      8.719127
  C      -3.412577     -5.947874      9.395028
  F      -3.403462     -5.947259     10.749351
  C      -4.627525     -5.800823      8.712244
  C      -5.929489     -5.686639      9.392327
  O      -6.984947     -5.420376      8.831200
  C      -6.087458     -6.043411     10.876730
  O      -6.135530     -7.190862     11.249058
  C      -6.327376     -4.821171     11.793621
  O      -6.075438     -3.703081     11.455189
  Cl     -6.913814     -5.262072     13.408287
  C      -4.601689     -5.768644      7.312160
  H      -2.670349     -1.453962      4.598265
  H      -3.272303      0.975767      4.713494
  H      -5.289600     -1.920679      1.197810
  H      -8.486227     -6.575380      4.264475
  H     -10.211055     -5.446819      5.678492
  H      -6.688241     -2.727142      3.537536
  H      -1.252653     -6.126504      6.801177
  H      -1.282414     -6.187470      9.284814
  H      -5.554344     -5.673546      6.789180
  N      -5.162298     -3.436860      5.351075
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644442855772
  N      -3.627922     -3.238492      2.859854
  C      -3.188247     -3.746583      1.553036
  C      -2.735379     -5.183482      1.715185
  N      -3.749400     -5.941393      2.500636
  C      -4.926691     -6.340243      1.679644
  C      -6.147053     -6.448968      2.582430
  N      -6.188900     -5.240740      3.406349
  Mo     -4.487350     -4.497619      4.125881
  N      -3.419088     -5.797242      5.193293
  C      -2.458282     -6.639922      4.465202
  C      -3.135659     -7.109889      3.189504
  H      -2.184685     -7.516822      5.072611
  H      -1.524662     -6.092679      4.246974
  H      -3.944198     -7.804803      3.452462
  H      -2.434779     -7.629283      2.514825
  H      -7.058352     -6.524106      1.969210
  H      -6.096686     -7.357594      3.208811
  H      -5.100757     -5.550011      0.937366
  H      -4.717718     -7.281171      1.143946
  H      -2.351385     -3.134258      1.179211
  H      -3.998891     -3.672208      0.806424
  H      -1.796146     -5.205381      2.284510
  H      -2.559480     -5.669774      0.741467
  C      -3.931860     -1.843902      2.890651
  C      -3.391734     -1.026893      3.899011
  C      -3.717086      0.322932      3.969383
  C      -4.573300      0.852679      3.015015
  F      -4.900820      2.163646      3.094693
  C      -5.118031      0.073777      1.984620
  C      -6.028411      0.612973      0.963129
  O      -6.549751     -0.060225      0.081674
  C      -6.335639      2.119878      0.909253
  O      -5.727628      2.868499      0.184257
  C      -7.580510      2.525771      1.735467
  O      -8.208112      1.741952      2.383129
  Cl     -7.962611      4.255364      1.618193
  C      -4.784677     -1.289344      1.939706
  C      -7.418152     -4.721792      3.860537
  C      -8.466666     -5.490099      4.393738
  C      -9.416138     -4.869336      5.210338
  C      -9.259485     -3.525364      5.556489
  F     -10.072353     -3.005683      6.504447
  C      -8.250867     -2.738066      5.000161
  C      -7.753152     -1.407133      5.528011
  O      -8.428893     -0.377374      5.523016
  C      -6.378625     -1.494653      5.998616
  O      -5.840537     -2.825126      6.282788
  C      -5.642048     -0.406934      6.501265
  O      -5.864585      0.774577      6.481861
  Cl     -3.982712     -0.958151      7.316565
  C      -7.445367     -3.334516      4.037526
  C      -3.402850     -5.872879      6.600114
  C      -2.201707     -6.044874      7.321199
  C      -2.199969     -6.077378      8.713574
  C      -3.402858     -5.949001      9.393331
  F      -3.389440     -5.949005     10.747692
  C      -4.620820     -5.807599      8.714769
  C      -5.920633     -5.698946      9.399878
  O      -6.980171     -5.442371      8.841940
  C      -6.068622     -6.045485     10.887904
  O      -6.126792     -7.190093     11.267421
  C      -6.280424     -4.814830     11.800420
  O      -6.029088     -3.701102     11.447427
  Cl     -6.837549     -5.238944     13.429670
  C      -4.599935     -5.775639      7.314511
  H      -2.737019     -1.467423      4.650607
  H      -3.342637      0.959597      4.770026
  H      -5.241123     -1.898354      1.158406
  H      -8.494288     -6.572063      4.257324
  H     -10.218448     -5.444276      5.673674
  H      -6.691690     -2.725022      3.536964
  H      -1.251011     -6.118383      6.792371
  H      -1.272006     -6.179448      9.276137
  H      -5.554708     -5.684938      6.794578
  N      -5.169603     -3.443916      5.358653
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644605940013
  N      -3.632684     -3.235895      2.863563
  C      -3.201039     -3.745822      1.554081
  C      -2.743448     -5.181126      1.715460
  N      -3.756493     -5.941443      2.499272
  C      -4.932570     -6.341342      1.677137
  C      -6.154675     -6.448267      2.577684
  N      -6.195236     -5.241166      3.403168
  Mo     -4.494849     -4.498879      4.126554
  N      -3.421976     -5.796596      5.190543
  C      -2.462482     -6.640000      4.461692
  C      -3.141943     -7.109972      3.187106
  H      -2.188609     -7.516512      5.069464
  H      -1.528972     -6.093114      4.242114
  H      -3.950405     -7.804459      3.451564
  H      -2.442452     -7.629696      2.511231
  H      -7.065150     -6.520114      1.962831
  H      -6.108080     -7.357958      3.202827
  H      -5.105145     -5.552847      0.932712
  H      -4.722929     -7.283376      1.143682
  H      -2.369030     -3.131587      1.172812
  H      -4.016746     -3.677497      0.812772
  H      -1.804658     -5.200516      2.285619
  H      -2.565403     -5.666347      0.741606
  C      -3.937330     -1.841683      2.894088
  C      -3.423368     -1.033097      3.923669
  C      -3.747838      0.316521      3.998253
  C      -4.579655      0.857129      3.027957
  F      -4.906897      2.167779      3.111241
  C      -5.097705      0.088762      1.976558
  C      -5.982709      0.636149      0.936918
  O      -6.476850     -0.028899      0.033487
  C      -6.296585      2.142326      0.886997
  O      -5.665322      2.905736      0.198575
  C      -7.578557      2.529057      1.665489
  O      -8.212697      1.736668      2.296197
  Cl     -7.987365      4.250082      1.529936
  C      -4.764222     -1.274956      1.926917
  C      -7.424473     -4.723254      3.859345
  C      -8.471606     -5.493692      4.391572
  C      -9.420729     -4.875643      5.210691
  C      -9.263569     -3.532686      5.561001
  F     -10.074989     -3.015777      6.511452
  C      -8.255428     -2.743305      5.006165
  C      -7.757011     -1.416108      5.543039
  O      -8.428939     -0.383724      5.536790
  C      -6.386899     -1.510878      6.025432
  O      -5.848725     -2.843390      6.294920
  C      -5.655634     -0.430703      6.552184
  O      -5.882273      0.750093      6.554398
  Cl     -3.996059     -0.991310      7.359012
  C      -7.451312     -3.336395      4.040454
  C      -3.403307     -5.871969      6.597818
  C      -2.199573     -6.035076      7.316477
  C      -2.194474     -6.066242      8.708858
  C      -3.396912     -5.945665      9.390822
  F      -3.380863     -5.945489     10.745159
  C      -4.617394     -5.813641      8.714806
  C      -5.915957     -5.712378      9.403303
  O      -6.979487     -5.468917      8.846991
  C      -6.055630     -6.045116     10.895504
  O      -6.124100     -7.185602     11.285485
  C      -6.240049     -4.804061     11.799824
  O      -5.989377     -3.695735     11.429790
  Cl     -6.770705     -5.207063     13.442951
  C      -4.599716     -5.782988      7.314334
  H      -2.788728     -1.480402      4.688566
  H      -3.390581      0.944814      4.813314
  H      -5.201930     -1.872779      1.126792
  H      -8.498603     -6.575317      4.252291
  H     -10.222420     -5.452062      5.673241
  H      -6.698284     -2.726055      3.540185
  H      -1.249665     -6.102623      6.785411
  H      -1.264722     -6.161907      9.269562
  H      -5.556091     -5.699675      6.796088
  N      -5.176571     -3.451905      5.365152
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644748308519
  N      -3.638761     -3.234697      2.864079
  C      -3.215928     -3.747193      1.552144
  C      -2.752073     -5.180384      1.713685
  N      -3.762626     -5.943729      2.497491
  C      -4.938077     -6.345802      1.675488
  C      -6.161495     -6.449948      2.574508
  N      -6.200616     -5.242776      3.400008
  Mo     -4.501217     -4.501516      4.126187
  N      -3.422888     -5.797066      5.186448
  C      -2.464317     -6.640903      4.457377
  C      -3.145939     -7.111557      3.184229
  H      -2.189542     -7.516541      5.065918
  H      -1.531230     -6.094009      4.235982
  H      -3.953758     -7.806038      3.450874
  H      -2.447972     -7.631197      2.506732
  H      -7.071362     -6.519326      1.958466
  H      -6.118338     -7.359785      3.199712
  H      -5.109736     -5.559877      0.928192
  H      -4.727945     -7.289409      1.145081
  H      -2.389916     -3.130536      1.162059
  H      -4.037438     -3.686397      0.816849
  H      -1.813187     -5.195830      2.283857
  H      -2.572305     -5.665133      0.739912
  C      -3.942347     -1.840883      2.896017
  C      -3.458058     -1.042965      3.949106
  C      -3.784029      0.305613      4.032046
  C      -4.589811      0.859163      3.046773
  F      -4.920665      2.168016      3.137990
  C      -5.076516      0.104273      1.971296
  C      -5.939384      0.661411      0.918144
  O      -6.409636      0.006429     -0.005612
  C      -6.260483      2.166649      0.874525
  O      -5.606623      2.945958      0.226516
  C      -7.578018      2.531605      1.603348
  O      -8.221145      1.727478      2.209722
  Cl     -8.007267      4.245928      1.461089
  C      -4.740798     -1.259330      1.913069
  C      -7.429858     -4.725741      3.858198
  C      -8.475874     -5.497572      4.389894
  C      -9.424336     -4.881082      5.210982
  C      -9.266246     -3.539009      5.564738
  F     -10.076057     -3.023932      6.517221
  C      -8.258110     -2.748268      5.011144
  C      -7.757121     -1.424701      5.555420
  O      -8.423597     -0.388687      5.546831
  C      -6.392008     -1.528370      6.050026
  O      -5.855184     -2.862810      6.306036
  C      -5.662258     -0.455357      6.594268
  O      -5.888183      0.725381      6.611039
  Cl     -4.006320     -1.027480      7.399787
  C      -7.455803     -3.339159      4.042546
  C      -3.402405     -5.871472      6.594242
  C      -2.196401     -6.025010      7.310963
  C      -2.188249     -6.053405      8.703389
  C      -3.390360     -5.939769      9.387149
  F      -3.371897     -5.937924     10.741375
  C      -4.613138     -5.817742      8.713171
  C      -5.910398     -5.721552      9.404600
  O      -6.977427     -5.490664      8.849471
  C      -6.043274     -6.037542     10.901312
  O      -6.118982     -7.172900     11.304584
  C      -6.208159     -4.784991     11.793474
  O      -5.958904     -3.682403     11.405781
  Cl     -6.720524     -5.164723     13.447675
  C      -4.598286     -5.790010      7.312462
  H      -2.845586     -1.498782      4.727097
  H      -3.447266      0.922413      4.864471
  H      -5.157479     -1.843499      1.092060
  H      -8.503053     -6.578915      4.248458
  H     -10.225780     -5.458361      5.672892
  H      -6.702599     -2.728951      3.542331
  H      -1.247246     -6.086740      6.777789
  H      -1.256898     -6.142062      9.262554
  H      -5.556016     -5.714364      6.795554
  N      -5.182126     -3.461121      5.370665
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644865744446
  N      -3.646518     -3.233041      2.862330
  C      -3.231703     -3.748887      1.548662
  C      -2.761763     -5.180033      1.711045
  N      -3.769493     -5.946021      2.495525
  C      -4.944054     -6.351423      1.673863
  C      -6.168725     -6.453534      2.571135
  N      -6.207651     -5.246468      3.396822
  Mo     -4.509707     -4.502857      4.123551
  N      -3.423920     -5.793320      5.181311
  C      -2.466171     -6.638554      4.453391
  C      -3.150139     -7.112064      3.182473
  H      -2.190322     -7.512322      5.064050
  H      -1.533629     -6.091856      4.229232
  H      -3.956993     -7.806485      3.452364
  H      -2.453626     -7.632296      2.503936
  H      -7.077776     -6.520900      1.953617
  H      -6.128758     -7.363623      3.196211
  H      -5.115257     -5.568511      0.923355
  H      -4.732806     -7.296672      1.146897
  H      -2.411275     -3.130395      1.149957
  H      -4.058823     -3.694993      0.819189
  H      -1.822636     -5.191281      2.280927
  H      -2.580493     -5.664802      0.737551
  C      -3.944150     -1.838796      2.894725
  C      -3.468565     -1.048868      3.958854
  C      -3.787993      0.300439      4.048649
  C      -4.580275      0.866224      3.059118
  F      -4.907424      2.174932      3.157859
  C      -5.055582      0.122202      1.971370
  C      -5.906769      0.689278      0.914291
  O      -6.373308      0.042655     -0.017709
  C      -6.218338      2.196415      0.868500
  O      -5.533698      2.980076      0.258826
  C      -7.567581      2.559704      1.538709
  O      -8.223009      1.760750      2.138811
  Cl     -8.008663      4.265866      1.350573
  C      -4.725643     -1.243255      1.906078
  C      -7.437393     -4.736160      3.862204
  C      -8.477173     -5.514525      4.396177
  C      -9.424606     -4.905064      5.223687
  C      -9.270341     -3.563832      5.582181
  F     -10.077483     -3.055600      6.540341
  C      -8.267744     -2.766631      5.027360
  C      -7.768457     -1.444924      5.578301
  O      -8.434664     -0.408673      5.571725
  C      -6.405470     -1.550891      6.077599
  O      -5.862931     -2.884822      6.317823
  C      -5.678254     -0.480856      6.631417
  O      -5.909863      0.698367      6.663810
  Cl     -4.013964     -1.054070      7.418246
  C      -7.467957     -3.350276      4.052258
  C      -3.402354     -5.865248      6.589747
  C      -2.194189     -6.003824      7.305641
  C      -2.184282     -6.028424      8.698101
  C      -3.387171     -5.926308      9.382421
  F      -3.367679     -5.921856     10.736572
  C      -4.611928     -5.819826      8.709276
  C      -5.909135     -5.735097      9.401978
  O      -6.979973     -5.523294      8.846382
  C      -6.036208     -6.034535     10.902776
  O      -6.112498     -7.164875     11.319690
  C      -6.192078     -4.771243     11.781368
  O      -5.949369     -3.673319     11.376536
  Cl     -6.686629     -5.130230     13.445353
  C      -4.598578     -5.795777      7.308378
  H      -2.867250     -1.512066      4.741402
  H      -3.456091      0.908043      4.889756
  H      -5.135154     -1.815558      1.073358
  H      -8.500528     -6.595483      4.251248
  H     -10.221428     -5.487476      5.687147
  H      -6.718658     -2.735965      3.550922
  H      -1.245178     -6.056485      6.771148
  H      -1.251616     -6.105819      9.256722
  H      -5.557389     -5.732432      6.791811
  N      -5.189954     -3.469815      5.374044
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.644966035424
  N      -3.657804     -3.231599      2.860659
  C      -3.252995     -3.749505      1.544451
  C      -2.774343     -5.177855      1.706656
  N      -3.776637     -5.948429      2.493614
  C      -4.951201     -6.358194      1.673960
  C      -6.175789     -6.458620      2.571353
  N      -6.214467     -5.250215      3.395286
  Mo     -4.517642     -4.505915      4.122761
  N      -3.423891     -5.792640      5.176225
  C      -2.465913     -6.636656      4.447825
  C      -3.152058     -7.112390      3.178956
  H      -2.187036     -7.508932      5.059193
  H      -1.534938     -6.088346      4.221021
  H      -3.956605     -7.808401      3.451812
  H      -2.456658     -7.631158      2.498180
  H      -7.084832     -6.526060      1.953809
  H      -6.136769     -7.367763      3.197867
  H      -5.123571     -5.578521      0.920431
  H      -4.738888     -7.304997      1.150295
  H      -2.440034     -3.127727      1.135858
  H      -4.087033     -3.703731      0.822338
  H      -1.833849     -5.183571      2.274388
  H      -2.592811     -5.662106      0.732936
  C      -3.952073     -1.837871      2.896570
  C      -3.503743     -1.060021      3.982060
  C      -3.823307      0.288670      4.080744
  C      -4.588884      0.868909      3.078043
  F      -4.918079      2.176087      3.185047
  C      -5.034200      0.139309      1.968133
  C      -5.862485      0.717284      0.898653
  O      -6.310823      0.080278     -0.049162
  C      -6.173570      2.224637      0.854036
  O      -5.465907      3.016063      0.281958
  C      -7.550312      2.578862      1.471403
  O      -8.218924      1.776892      2.052669
  Cl     -7.998684      4.279717      1.262267
  C      -4.704216     -1.226086      1.894547
  C      -7.444403     -4.743141      3.864463
  C      -8.481521     -5.524596      4.398587
  C      -9.427887     -4.918506      5.229771
  C      -9.274094     -3.578234      5.592231
  F     -10.079091     -3.073572      6.553863
  C      -8.273488     -2.777962      5.037771
  C      -7.772999     -1.458896      5.595277
  O      -8.435576     -0.420236      5.587796
  C      -6.413924     -1.571485      6.103642
  O      -5.870564     -2.906374      6.329789
  C      -5.687438     -0.507146      6.670326
  O      -5.918508      0.671656      6.715294
  Cl     -4.025222     -1.089771      7.455316
  C      -7.475881     -3.357666      4.058459
  C      -3.399617     -5.862488      6.585145
  C      -2.188774     -5.988176      7.298715
  C      -2.175269     -6.008559      8.691182
  C      -3.377593     -5.915344      9.377794
  F      -3.354988     -5.907212     10.731777
  C      -4.604933     -5.822436      8.707171
  C      -5.900823     -5.745495      9.402995
  O      -6.975383     -5.549256      8.848679
  C      -6.021328     -6.028792     10.907693
  O      -6.095515     -7.154218     11.337947
  C      -6.173458     -4.755712     11.772766
  O      -5.937762     -3.662008     11.352719
  Cl     -6.655662     -5.095765     13.444162
  C      -4.594964     -5.802586      7.306022
  H      -2.923827     -1.532624      4.775169
  H      -3.511200      0.883633      4.938301
  H      -5.092874     -1.784391      1.042592
  H      -8.504043     -6.605185      4.250894
  H     -10.223063     -5.503173      5.693235
  H      -6.728033     -2.742199      3.556432
  H      -1.240767     -6.033342      6.761684
  H      -1.240724     -6.076024      9.247920
  H      -5.555345     -5.749566      6.791232
  N      -5.197345     -3.480135      5.379304
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645057542975
  N      -3.670895     -3.230162      2.858555
  C      -3.275121     -3.749766      1.540116
  C      -2.788149     -5.175482      1.701819
  N      -3.784867     -5.950729      2.491356
  C      -4.959205     -6.365600      1.673748
  C      -6.183465     -6.465651      2.571425
  N      -6.223129     -5.256010      3.393668
  Mo     -4.527826     -4.509048      4.121046
  N      -3.424994     -5.790475      5.170867
  C      -2.466386     -6.632978      4.442107
  C      -3.154516     -7.112009      3.175578
  H      -2.183825     -7.503361      5.054440
  H      -1.537406     -6.082519      4.212295
  H      -3.956365     -7.809962      3.451550
  H      -2.459834     -7.629207      2.492896
  H      -7.092479     -6.534159      1.953920
  H      -6.144299     -7.373854      3.199279
  H      -5.133413     -5.589047      0.917496
  H      -4.745119     -7.313649      1.153150
  H      -2.469137     -3.124916      1.122609
  H      -4.115490     -3.711205      0.824924
  H      -1.846234     -5.175943      2.267221
  H      -2.606612     -5.659104      0.727775
  C      -3.960724     -1.836768      2.898306
  C      -3.534063     -1.070301      4.001315
  C      -3.851480      0.277989      4.108452
  C      -4.592950      0.872386      3.095865
  F      -4.921753      2.178570      3.210896
  C      -5.013424      0.156640      1.967490
  C      -5.818218      0.747943      0.887744
  O      -6.252101      0.122494     -0.074763
  C      -6.119928      2.257084      0.844883
  O      -5.383513      3.052334      0.316119
  C      -7.523654      2.609996      1.399539
  O      -8.211885      1.810531      1.961146
  Cl     -7.969068      4.307048      1.159958
  C      -4.686394     -1.209500      1.885895
  C      -7.453518     -4.754816      3.868445
  C      -8.485552     -5.541667      4.404249
  C      -9.430726     -4.941407      5.240950
  C      -9.279773     -3.601971      5.607470
  F     -10.082212     -3.103046      6.574101
  C      -8.284018     -2.796300      5.051838
  C      -7.784566     -1.478915      5.614928
  O      -8.446450     -0.439785      5.608928
  C      -6.427891     -1.594362      6.128326
  O      -5.880279     -2.928872      6.341298
  C      -5.703598     -0.533044      6.703819
  O      -5.937232      0.644709      6.759584
  Cl     -4.039150     -1.118622      7.482164
  C      -7.488727     -3.369878      4.066960
  C      -3.397298     -5.857448      6.580247
  C      -2.183441     -5.968359      7.290962
  C      -2.165958     -5.983941      8.683411
  C      -3.367535     -5.900791      9.372689
  F      -3.341458     -5.888015     10.726512
  C      -4.597604     -5.823277      8.705013
  C      -5.892142     -5.756029      9.404123
  O      -6.970546     -5.577141      8.851259
  C      -6.005480     -6.023931     10.912351
  O      -6.074497     -7.144686     11.355374
  C      -6.156913     -4.741781     11.764137
  O      -5.930995     -3.651807     11.329226
  Cl     -6.624004     -5.064625     13.443071
  C      -4.591443     -5.808258      7.303689
  H      -2.972298     -1.551899      4.802144
  H      -3.555160      0.861169      4.979605
  H      -5.057399     -1.754571      1.017710
  H      -8.505043     -6.621894      4.253648
  H     -10.222063     -5.530278      5.705670
  H      -6.744809     -2.751007      3.562979
  H      -1.236643     -6.005097      6.751091
  H      -1.229369     -6.039907      9.237964
  H      -5.553517     -5.766875      6.790998
  N      -5.207622     -3.490764      5.383333
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645143055046
  N      -3.685574     -3.228002      2.857198
  C      -3.298667     -3.748604      1.536463
  C      -2.802938     -5.171556      1.697018
  N      -3.793534     -5.952040      2.489181
  C      -4.967690     -6.372149      1.673789
  C      -6.191183     -6.472876      2.572221
  N      -6.232312     -5.262084      3.392874
  Mo     -4.538647     -4.512103      4.119995
  N      -3.426360     -5.788259      5.165662
  C      -2.466775     -6.628420      4.435983
  C      -3.156748     -7.110610      3.171695
  H      -2.179916     -7.497029      5.048813
  H      -1.540133     -6.075226      4.203259
  H      -3.955450     -7.811077      3.450532
  H      -2.462553     -7.625583      2.486854
  H      -7.100401     -6.543127      1.955176
  H      -6.150830     -7.380129      3.201352
  H      -5.144374     -5.598376      0.915348
  H      -4.751574     -7.321068      1.155690
  H      -2.499828     -3.120369      1.110466
  H      -4.145189     -3.716986      0.828158
  H      -1.859447     -5.166680      2.259748
  H      -2.621591     -5.654141      0.722409
  C      -3.971519     -1.835124      2.901071
  C      -3.567550     -1.080070      4.021059
  C      -3.882393      0.268173      4.135302
  C      -4.598162      0.876600      3.112253
  F      -4.925340      2.182304      3.233698
  C      -4.993353      0.174069      1.966552
  C      -5.772541      0.777621      0.875042
  O      -6.191175      0.162030     -0.100826
  C      -6.063868      2.288502      0.830537
  O      -5.301010      3.084568      0.342063
  C      -7.489748      2.644173      1.323932
  O      -8.198181      1.849545      1.867090
  Cl     -7.926813      4.338135      1.052863
  C      -4.669557     -1.192688      1.878400
  C      -7.463200     -4.766979      3.873151
  C      -8.490274     -5.559514      4.409853
  C      -9.434497     -4.965578      5.252088
  C      -9.286540     -3.627095      5.623201
  F     -10.086614     -3.134371      6.594871
  C      -8.295656     -2.815745      5.066909
  C      -7.797846     -1.499969      5.636119
  O      -8.459667     -0.460767      5.632055
  C      -6.443103     -1.617653      6.153876
  O      -5.890959     -2.951740      6.353442
  C      -5.721426     -0.559494      6.738936
  O      -5.958123      0.616937      6.806389
  Cl     -4.054513     -1.147935      7.510596
  C      -7.502333     -3.382692      4.076565
  C      -3.394619     -5.852491      6.575424
  C      -2.177623     -5.948580      7.282800
  C      -2.155682     -5.959340      8.675184
  C      -3.356100     -5.886305      9.367671
  F      -3.326042     -5.868781     10.721297
  C      -4.588978     -5.824304      8.703512
  C      -5.881827     -5.767041      9.406431
  O      -6.964061     -5.605486      8.855569
  C      -5.987717     -6.020619     10.917816
  O      -6.050349     -7.136952     11.372704
  C      -6.140167     -4.730354     11.757156
  O      -5.924579     -3.643808     11.308645
  Cl     -6.593026     -5.037640     13.442771
  C      -4.587135     -5.814114      7.302023
  H      -3.024681     -1.570480      4.829615
  H      -3.602510      0.840094      5.019271
  H      -5.021769     -1.725085      0.994706
  H      -8.506604     -6.639284      4.255754
  H     -10.222066     -5.558886      5.717566
  H      -6.762534     -2.760029      3.571200
  H      -1.232318     -5.976931      6.739752
  H      -1.216948     -6.003727      9.227133
  H      -5.551010     -5.784454      6.791905
  N      -5.218831     -3.501731      5.388079
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645230608035
  N      -3.701349     -3.225904      2.855524
  C      -3.323108     -3.747316      1.532632
  C      -2.818605     -5.167469      1.691748
  N      -3.802623     -5.953447      2.486834
  C      -4.976704     -6.379121      1.673990
  C      -6.199044     -6.481050      2.573638
  N      -6.242031     -5.268865      3.392341
  Mo     -4.550000     -4.515481      4.118827
  N      -3.427922     -5.786046      5.160315
  C      -2.467134     -6.623450      4.429519
  C      -3.158845     -7.109044      3.167508
  H      -2.175497     -7.490161      5.042754
  H      -1.543114     -6.067123      4.193777
  H      -3.954058     -7.812379      3.449182
  H      -2.464968     -7.621435      2.480432
  H      -7.108647     -6.553857      1.957427
  H      -6.156616     -7.387077      3.204365
  H      -5.156383     -5.607994      0.913646
  H      -4.758372     -7.328713      1.158141
  H      -2.531379     -3.115713      1.098447
  H      -4.175603     -3.722249      0.831140
  H      -1.873396     -5.157240      2.251500
  H      -2.637754     -5.648920      0.716474
  C      -3.983360     -1.833635      2.903630
  C      -3.603606     -1.090027      4.040313
  C      -3.915802      0.258096      4.161235
  C      -4.604207      0.880575      3.127769
  F      -4.929605      2.185855      3.255221
  C      -4.972971      0.191254      1.965367
  C      -5.725249      0.807648      0.862613
  O      -6.127878      0.202723     -0.126883
  C      -6.005142      2.320325      0.818040
  O      -5.217020      3.116243      0.371191
  C      -7.449913      2.680302      1.249619
  O      -8.179852      1.890786      1.771441
  Cl     -7.873506      4.372701      0.950881
  C      -4.652506     -1.176158      1.870867
  C      -7.473467     -4.780255      3.878112
  C      -8.495555     -5.578781      4.415280
  C      -9.438997     -4.991654      5.263099
  C      -9.294382     -3.654251      5.639205
  F     -10.092264     -3.168234      6.615969
  C      -8.308592     -2.836874      5.082531
  C      -7.812704     -1.522670      5.657795
  O      -8.475140     -0.483858      5.656662
  C      -6.459492     -1.641940      6.178792
  O      -5.902407     -2.975325      6.365298
  C      -5.740741     -0.586605      6.772788
  O      -5.980701      0.588380      6.851287
  Cl     -4.071161     -1.177084      7.538080
  C      -7.516980     -3.396711      4.086704
  C      -3.391550     -5.847107      6.570435
  C      -2.171300     -5.927854      7.273970
  C      -2.144489     -5.933145      8.666258
  C      -3.343409     -5.870063      9.362386
  F      -3.308935     -5.846923     10.715761
  C      -4.579151     -5.824145      8.702198
  C      -5.870075     -5.776706      9.409205
  O      -6.956003     -5.632646      8.860649
  C      -5.968350     -6.016169     10.923527
  O      -6.022799     -7.128065     11.390094
  C      -6.124504     -4.718203     11.750333
  O      -5.920619     -3.634926     11.288617
  Cl     -6.563750     -5.010665     13.442087
  C      -4.582028     -5.819458      7.300611
  H      -3.080727     -1.589286      4.856646
  H      -3.653391      0.818803      5.057679
  H      -4.984662     -1.696027      0.972103
  H      -8.508505     -6.658026      4.257360
  H     -10.222714     -5.589722      5.728994
  H      -6.781566     -2.769656      3.580312
  H      -1.227777     -5.947853      6.727405
  H      -1.203540     -5.965460      9.215248
  H      -5.547749     -5.801817      6.793435
  N      -5.230906     -3.513231      5.392582
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645404457658
  N      -3.732876     -3.224002      2.848020
  C      -3.365971     -3.747591      1.523403
  C      -2.845721     -5.162208      1.682077
  N      -3.816517     -5.957498      2.484548
  C      -4.990286     -6.395623      1.677503
  C      -6.209292     -6.501052      2.580729
  N      -6.258048     -5.284213      3.392723
  Mo     -4.569476     -4.521298      4.115682
  N      -3.430300     -5.779258      5.153340
  C      -2.465570     -6.611023      4.421890
  C      -3.158606     -7.105612      3.164000
  H      -2.164048     -7.473094      5.036879
  H      -1.547124     -6.047867      4.180457
  H      -3.946389     -7.815171      3.451012
  H      -2.463838     -7.612997      2.474141
  H      -7.119904     -6.582887      1.967112
  H      -6.159620     -7.402877      3.216862
  H      -5.177301     -5.629576      0.913956
  H      -4.766772     -7.346132      1.165723
  H      -2.585539     -3.110471      1.076861
  H      -4.227242     -3.733085      0.831817
  H      -1.897135     -5.141234      2.235734
  H      -2.666254     -5.643091      0.706234
  C      -4.004841     -1.832559      2.902294
  C      -3.654752     -1.105737      4.059954
  C      -3.958059      0.243378      4.189457
  C      -4.605942      0.886934      3.142738
  F      -4.927417      2.191806      3.279180
  C      -4.940933      0.215777      1.959526
  C      -5.655697      0.852398      0.845138
  O      -6.054993      0.262349     -0.154863
  C      -5.907562      2.368325      0.799450
  O      -5.086404      3.152627      0.392828
  C      -7.358576      2.752851      1.184753
  O      -8.116235      1.978668      1.690191
  Cl     -7.752063      4.445155      0.845117
  C      -4.631622     -1.153429      1.857206
  C      -7.491322     -4.807958      3.886116
  C      -8.505304     -5.616949      4.423235
  C      -9.448847     -5.041683      5.278825
  C      -9.312486     -3.705614      5.661711
  F     -10.108954     -3.230925      6.645247
  C      -8.336288     -2.877412      5.104329
  C      -7.847177     -1.562739      5.685364
  O      -8.514532     -0.527197      5.688135
  C      -6.492874     -1.676765      6.202911
  O      -5.925248     -3.007183      6.377023
  C      -5.775257     -0.617601      6.792178
  O      -6.020359      0.555852      6.875319
  Cl     -4.102006     -1.203168      7.556660
  C      -7.544920     -3.425304      4.101304
  C      -3.385893     -5.832304      6.563890
  C      -2.160304     -5.886897      7.260423
  C      -2.125080     -5.882023      8.652407
  C      -3.320980     -5.835004      9.355122
  F      -3.278775     -5.801547     10.707963
  C      -4.561194     -5.815389      8.702136
  C      -5.848568     -5.784917      9.416297
  O      -6.939950     -5.665613      8.872453
  C      -5.934196     -6.012705     10.933383
  O      -5.973847     -7.120939     11.409831
  C      -6.118660     -4.710469     11.747740
  O      -5.928953     -3.628004     11.278134
  Cl     -6.537217     -4.996865     13.445746
  C      -4.572342     -5.820851      7.300553
  H      -3.160448     -1.618563      4.885707
  H      -3.717572      0.788018      5.101863
  H      -4.935995     -1.655855      0.938598
  H      -8.511444     -6.695387      4.259861
  H     -10.225927     -5.648339      5.744782
  H      -6.816987     -2.789155      3.594579
  H      -1.220195     -5.894115      6.707600
  H      -1.180565     -5.893897      9.196048
  H      -5.541071     -5.823423      6.798828
  N      -5.254186     -3.529375      5.394983
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645576866412
  N      -3.788807     -3.222812      2.832312
  C      -3.431536     -3.749271      1.507833
  C      -2.887138     -5.154582      1.667109
  N      -3.835299     -5.964283      2.482834
  C      -5.008081     -6.424519      1.686157
  C      -6.219415     -6.540240      2.597354
  N      -6.281872     -5.314860      3.396616
  Mo     -4.599869     -4.530946      4.110004
  N      -3.433728     -5.765707      5.145384
  C      -2.460255     -6.586261      4.413382
  C      -3.152823     -7.098061      3.161789
  H      -2.140681     -7.439693      5.031352
  H      -1.552319     -6.010042      4.162816
  H      -3.926921     -7.819343      3.456749
  H      -2.454524     -7.596034      2.468690
  H      -7.132031     -6.642484      1.989774
  H      -6.152038     -7.433496      3.243726
  H      -5.210192     -5.665376      0.919810
  H      -4.774199     -7.374691      1.178630
  H      -2.665790     -3.104019      1.047268
  H      -4.302798     -3.748109      0.827296
  H      -1.933157     -5.116026      2.210358
  H      -2.710416     -5.635554      0.690733
  C      -4.042862     -1.832518      2.893296
  C      -3.713542     -1.123834      4.068734
  C      -3.995148      0.228940      4.205168
  C      -4.596138      0.896808      3.146347
  F      -4.904012      2.203649      3.290295
  C      -4.904859      0.243163      1.945942
  C      -5.575212      0.907969      0.824617
  O      -5.991960      0.339726     -0.180905
  C      -5.757996      2.429662      0.773678
  O      -4.891912      3.169893      0.375826
  C      -7.191885      2.884108      1.139923
  O      -7.980349      2.160354      1.673046
  Cl     -7.491357      4.596930      0.796906
  C      -4.621934     -1.129920      1.837510
  C      -7.519230     -4.860862      3.899876
  C      -8.520469     -5.687124      4.435888
  C      -9.466478     -5.131539      5.301235
  C      -9.347646     -3.796844      5.692257
  F     -10.145181     -3.340475      6.684023
  C      -8.388555     -2.950513      5.133544
  C      -7.915694     -1.630125      5.715981
  O      -8.600717     -0.606641      5.731825
  C      -6.555893     -1.723820      6.218769
  O      -5.968113     -3.047574      6.384599
  C      -5.842180     -0.648907      6.784373
  O      -6.096064      0.523191      6.856261
  Cl     -4.163858     -1.213877      7.561098
  C      -7.593578     -3.479436      4.122536
  C      -3.376611     -5.804243      6.556062
  C      -2.143184     -5.821567      7.240388
  C      -2.094623     -5.801020      8.631624
  C      -3.284756     -5.775210      9.345493
  F      -3.230191     -5.725490     10.697282
  C      -4.531146     -5.791737      8.704697
  C      -5.812143     -5.785018      9.430474
  O      -6.910668     -5.692274      8.895925
  C      -5.878269     -6.008123     10.949381
  O      -5.869266     -7.114003     11.432468
  C      -6.110303     -4.709449     11.757739
  O      -5.990969     -3.622428     11.275382
  Cl     -6.550521     -5.002790     13.449375
  C      -4.555632     -5.813103      7.303599
  H      -3.248750     -1.652325      4.901721
  H      -3.769834      0.756929      5.131196
  H      -4.898458     -1.615078      0.900188
  H      -8.513660     -6.764360      4.265456
  H     -10.232342     -5.752891      5.766519
  H      -6.878574     -2.825939      3.617768
  H      -1.209153     -5.812351      6.677295
  H      -1.145027     -5.783703      9.166181
  H      -5.528728     -5.843759      6.811308
  N      -5.295334     -3.551622      5.392808
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.645798366090
  N      -3.831521     -3.220032      2.826319
  C      -3.477238     -3.746404      1.501611
  C      -2.915217     -5.144721      1.660131
  N      -3.848308     -5.965521      2.482310
  C      -5.018969     -6.440423      1.690632
  C      -6.225642     -6.566071      2.606003
  N      -6.300104     -5.336130      3.398169
  Mo     -4.623889     -4.537650      4.108288
  N      -3.440716     -5.757738      5.141809
  C      -2.459433     -6.567828      4.408828
  C      -3.149063     -7.089717      3.159706
  H      -2.127524     -7.416071      5.027444
  H      -1.559169     -5.981268      4.154388
  H      -3.913217     -7.820396      3.457407
  H      -2.446712     -7.579042      2.464630
  H      -7.138762     -6.683022      2.001853
  H      -6.145232     -7.453937      3.258180
  H      -5.231399     -5.684415      0.924087
  H      -4.776496     -7.388892      1.184077
  H      -2.721009     -3.094691      1.034239
  H      -4.353227     -3.754200      0.826663
  H      -1.958528     -5.093716      2.197637
  H      -2.738540     -5.624638      0.683170
  C      -4.071172     -1.829211      2.892331
  C      -3.756801     -1.132584      4.079542
  C      -4.020395      0.223567      4.219268
  C      -4.588731      0.907274      3.152620
  F      -4.876714      2.218759      3.296287
  C      -4.881042      0.265159      1.941938
  C      -5.519056      0.951184      0.816127
  O      -5.922400      0.402276     -0.206012
  C      -5.643792      2.477121      0.763598
  O      -4.745587      3.178890      0.365617
  C      -7.066658      2.986024      1.093928
  O      -7.898255      2.291826      1.599807
  Cl     -7.308438      4.696439      0.692054
  C      -4.616107     -1.110567      1.829174
  C      -7.541311     -4.898423      3.905539
  C      -8.535367     -5.737534      4.435484
  C      -9.486503     -5.197165      5.304711
  C      -9.381321     -3.864063      5.704316
  F     -10.182587     -3.422386      6.699906
  C      -8.431547     -3.004713      5.150243
  C      -7.971138     -1.681050      5.736173
  O      -8.673011     -0.669553      5.771506
  C      -6.609272     -1.761615      6.235145
  O      -6.007353     -3.080684      6.391125
  C      -5.906015     -0.680992      6.801954
  O      -6.161255      0.491135      6.862734
  Cl     -4.221237     -1.235001      7.578619
  C      -7.631031     -3.518755      4.135797
  C      -3.375862     -5.788332      6.552567
  C      -2.138073     -5.781970      7.229347
  C      -2.081424     -5.751813      8.620013
  C      -3.267599     -5.739698      9.340960
  F      -3.205647     -5.678917     10.691887
  C      -4.517327     -5.779984      8.707989
  C      -5.793719     -5.786498      9.441775
  O      -6.896649     -5.706068      8.914687
  C      -5.847179     -6.006036     10.961852
  O      -5.786922     -7.107869     11.450479
  C      -6.085490     -4.708255     11.770356
  O      -5.971104     -3.620587     11.288490
  Cl     -6.449029     -5.002929     13.480169
  C      -4.550013     -5.810988      7.307150
  H      -3.314797     -1.672001      4.917782
  H      -3.803958      0.741214      5.153196
  H      -4.874378     -1.584659      0.881027
  H      -8.519144     -6.813493      4.257758
  H     -10.246154     -5.829563      5.765315
  H      -6.923503     -2.852303      3.637613
  H      -1.208073     -5.761361      6.659960
  H      -1.129117     -5.715389      9.148762
  H      -5.525444     -5.859122      6.820988
  N      -5.330242     -3.569794      5.393722
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646066378100
  N      -3.861063     -3.218804      2.823991
  C      -3.510108     -3.743767      1.497261
  C      -2.938074     -5.138291      1.652870
  N      -3.861783     -5.965180      2.479422
  C      -5.032758     -6.448359      1.692798
  C      -6.234459     -6.581444      2.613373
  N      -6.315041     -5.350031      3.403097
  Mo     -4.640291     -4.542536      4.108215
  N      -3.444669     -5.753895      5.137482
  C      -2.460576     -6.556749      4.400060
  C      -3.151336     -7.083983      3.153857
  H      -2.119818     -7.402359      5.017433
  H      -1.565833     -5.963563      4.141589
  H      -3.908640     -7.820666      3.454122
  H      -2.447676     -7.567625      2.456216
  H      -7.149225     -6.707279      2.013533
  H      -6.144021     -7.466898      3.267458
  H      -5.253411     -5.693361      0.927556
  H      -4.786008     -7.395204      1.185318
  H      -2.759635     -3.088407      1.025766
  H      -4.388832     -3.756481      0.826517
  H      -1.979025     -5.080561      2.185595
  H      -2.763071     -5.617203      0.675102
  C      -4.089942     -1.825880      2.893057
  C      -3.794919     -1.135143      4.089393
  C      -4.046861      0.223642      4.226992
  C      -4.585024      0.916180      3.150125
  F      -4.848999      2.234311      3.285368
  C      -4.859181      0.280745      1.932020
  C      -5.455241      0.983127      0.792063
  O      -5.834628      0.446115     -0.246238
  C      -5.564255      2.512341      0.751721
  O      -4.638691      3.209684      0.412450
  C      -6.992807      3.035705      1.030240
  O      -7.854657      2.344009      1.485048
  Cl     -7.190025      4.761009      0.668763
  C      -4.606154     -1.097906      1.820520
  C      -7.557428     -4.922996      3.915698
  C      -8.545274     -5.772197      4.440934
  C      -9.500552     -5.244204      5.313325
  C      -9.404860     -3.912726      5.721324
  F     -10.208199     -3.483482      6.720558
  C      -8.460394     -3.043826      5.173198
  C      -8.009240     -1.720551      5.767585
  O      -8.719039     -0.714617      5.809298
  C      -6.640481     -1.789397      6.252155
  O      -6.026479     -3.103124      6.399901
  C      -5.944157     -0.707375      6.822131
  O      -6.205080      0.462954      6.887361
  Cl     -4.244831     -1.253077      7.574999
  C      -7.657393     -3.545572      4.154488
  C      -3.368898     -5.778597      6.548231
  C      -2.126217     -5.756167      7.215967
  C      -2.059908     -5.716616      8.605973
  C      -3.240883     -5.711162      9.335591
  F      -3.169358     -5.637277     10.685248
  C      -4.494782     -5.769626      8.712030
  C      -5.766574     -5.779748      9.454230
  O      -6.873337     -5.712072      8.933440
  C      -5.809093     -5.998535     10.974294
  O      -5.756867     -7.101625     11.461177
  C      -6.083167     -4.706214     11.779928
  O      -5.964658     -3.615853     11.305600
  Cl     -6.470882     -5.010572     13.482920
  C      -4.537184     -5.809724      7.311554
  H      -3.375473     -1.680528      4.935258
  H      -3.842646      0.736976      5.166047
  H      -4.850062     -1.566784      0.866788
  H      -8.522157     -6.846841      4.255641
  H     -10.255602     -5.885107      5.769607
  H      -6.956235     -2.869936      3.660992
  H      -1.200685     -5.728716      6.639761
  H      -1.104310     -5.666069      9.127585
  H      -5.515583     -5.869700      6.832829
  N      -5.350145     -3.582192      5.397157
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646116402340
  N      -3.891513     -3.216541      2.825875
  C      -3.538377     -3.736006      1.496502
  C      -2.959800     -5.128297      1.646653
  N      -3.876466     -5.960733      2.475140
  C      -5.048012     -6.449726      1.692585
  C      -6.243930     -6.593502      2.618905
  N      -6.331221     -5.362979      3.409533
  Mo     -4.656768     -4.546604      4.109407
  N      -3.451215     -5.751627      5.134444
  C      -2.464674     -6.545899      4.390177
  C      -3.156310     -7.075802      3.145613
  H      -2.115745     -7.390545      5.004298
  H      -1.575311     -5.945845      4.129251
  H      -3.907149     -7.818811      3.446340
  H      -2.450632     -7.552984      2.445611
  H      -7.160575     -6.728017      2.023878
  H      -6.141810     -7.478244      3.272255
  H      -5.277691     -5.693062      0.931553
  H      -4.797194     -7.393191      1.180866
  H      -2.789846     -3.077201      1.026861
  H      -4.416699     -3.749258      0.826176
  H      -1.998818     -5.066720      2.175528
  H      -2.786420     -5.604886      0.667465
  C      -4.106699     -1.820180      2.897894
  C      -3.828947     -1.131933      4.099927
  C      -4.069163      0.229549      4.230925
  C      -4.574504      0.926895      3.141342
  F      -4.819058      2.250871      3.267116
  C      -4.832853      0.294424      1.918268
  C      -5.380651      1.010270      0.760228
  O      -5.748127      0.478755     -0.285476
  C      -5.477797      2.543426      0.732110
  O      -4.535659      3.235696      0.430368
  C      -6.904840      3.081142      0.990666
  O      -7.796917      2.382570      1.369032
  Cl     -7.080664      4.809859      0.633911
  C      -4.596688     -1.088486      1.814028
  C      -7.574783     -4.946555      3.926319
  C      -8.557947     -5.806199      4.443394
  C      -9.519536     -5.291709      5.317130
  C      -9.434256     -3.962367      5.735580
  F     -10.242855     -3.546786      6.736150
  C      -8.493554     -3.083651      5.196773
  C      -8.053822     -1.761269      5.800574
  O      -8.774954     -0.763815      5.853997
  C      -6.674824     -1.812800      6.262174
  O      -6.047535     -3.120009      6.405831
  C      -5.988880     -0.728067      6.836790
  O      -6.269567      0.435746      6.927094
  Cl     -4.291663     -1.266415      7.602717
  C      -7.685650     -3.572343      4.175788
  C      -3.362278     -5.771732      6.544829
  C      -2.114137     -5.737925      7.202187
  C      -2.036955     -5.691475      8.591461
  C      -3.211836     -5.690377      9.330972
  F      -3.129717     -5.607890     10.679389
  C      -4.470310     -5.762123      8.717957
  C      -5.736438     -5.773942      9.470133
  O      -6.847609     -5.709706      8.958646
  C      -5.766449     -5.990900     10.989993
  O      -5.693876     -7.092847     11.477176
  C      -6.056307     -4.702391     11.795846
  O      -5.971333     -3.610988     11.317076
  Cl     -6.493575     -5.014697     13.485787
  C      -4.523880     -5.809063      7.318050
  H      -3.432752     -1.680748      4.954716
  H      -3.880171      0.742290      5.173576
  H      -4.832567     -1.558185      0.859454
  H      -8.527570     -6.879123      4.248918
  H     -10.271167     -5.941562      5.766192
  H      -6.989450     -2.886682      3.690879
  H      -1.193357     -5.706069      6.618776
  H      -1.077574     -5.631342      9.105072
  H      -5.505772     -5.877794      6.847835
  N      -5.371203     -3.592447      5.400467
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646339383969
  N      -3.931112     -3.212467      2.828545
  C      -3.573621     -3.724998      1.496775
  C      -2.984672     -5.113566      1.641496
  N      -3.892566     -5.954739      2.470590
  C      -5.062151     -6.452977      1.690640
  C      -6.252937     -6.611148      2.621155
  N      -6.351533     -5.382326      3.413138
  Mo     -4.680434     -4.551931      4.109444
  N      -3.461890     -5.746007      5.131619
  C      -2.470303     -6.529296      4.381532
  C      -3.160330     -7.063949      3.138113
  H      -2.111628     -7.371849      4.992972
  H      -1.587740     -5.920147      4.118895
  H      -3.902879     -7.815194      3.438838
  H      -2.450719     -7.532992      2.436556
  H      -7.170179     -6.756739      2.029685
  H      -6.137494     -7.495179      3.273336
  H      -5.302273     -5.695616      0.933485
  H      -4.803863     -7.392290      1.175089
  H      -2.828851     -3.060278      1.029659
  H      -4.451425     -3.741503      0.826403
  H      -2.022564     -5.045537      2.167434
  H      -2.810531     -5.586846      0.660853
  C      -4.135275     -1.814058      2.904351
  C      -3.890296     -1.132008      4.116689
  C      -4.123598      0.230867      4.243506
  C      -4.580685      0.936453      3.138041
  F      -4.820966      2.262395      3.262071
  C      -4.806289      0.310622      1.904744
  C      -5.294115      1.036662      0.724181
  O      -5.637964      0.506846     -0.330015
  C      -5.355371      2.573784      0.691699
  O      -4.394437      3.240677      0.392981
  C      -6.775036      3.148328      0.910266
  O      -7.684071      2.483387      1.307994
  Cl     -6.879099      4.895090      0.620495
  C      -4.586515     -1.075727      1.807044
  C      -7.597676     -4.980662      3.933938
  C      -8.573851     -5.853737      4.442307
  C      -9.542528     -5.355998      5.318121
  C      -9.471225     -4.028947      5.747650
  F     -10.286440     -3.629511      6.749213
  C      -8.538000     -3.137187      5.217245
  C      -8.113833     -1.814446      5.829738
  O      -8.851436     -0.830335      5.901808
  C      -6.726141     -1.844713      6.271198
  O      -6.081750     -3.143795      6.409956
  C      -6.053920     -0.754649      6.851208
  O      -6.358919      0.400573      6.967323
  Cl     -4.354515     -1.277999      7.626546
  C      -7.723573     -3.610406      4.194517
  C      -3.359496     -5.759216      6.541372
  C      -2.106349     -5.706951      7.187997
  C      -2.018448     -5.651847      8.576315
  C      -3.186959     -5.660574      9.325837
  F      -3.094811     -5.570356     10.672989
  C      -4.449335     -5.751773      8.723745
  C      -5.708943     -5.772915      9.486685
  O      -6.825260     -5.719947      8.985396
  C      -5.723795     -5.981818     11.007341
  O      -5.614317     -7.078663     11.499456
  C      -6.024987     -4.694477     11.810601
  O      -5.928868     -3.602617     11.335399
  Cl     -6.400497     -5.005439     13.515974
  C      -4.513977     -5.807408      7.324626
  H      -3.526888     -1.685978      4.982786
  H      -3.965275      0.739525      5.194180
  H      -4.803562     -1.543536      0.847364
  H      -8.532830     -6.924624      4.238726
  H     -10.288589     -6.017005      5.760034
  H      -7.033828     -2.912722      3.718813
  H      -1.190538     -5.667627      6.597291
  H      -1.055659     -5.577926      9.081691
  H      -5.498868     -5.890961      6.863200
  N      -5.403557     -3.606660      5.402074
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646474532266
  N      -3.964348     -3.208783      2.824405
  C      -3.611836     -3.721071      1.491626
  C      -3.009932     -5.104729      1.634588
  N      -3.906588     -5.954062      2.467541
  C      -5.074184     -6.462542      1.691382
  C      -6.261388     -6.628654      2.624970
  N      -6.367536     -5.399775      3.415803
  Mo     -4.700447     -4.556392      4.107012
  N      -3.466367     -5.737037      5.125566
  C      -2.472094     -6.514832      4.373494
  C      -3.163149     -7.056617      3.133826
  H      -2.105088     -7.353398      4.985561
  H      -1.594911     -5.899928      4.106245
  H      -3.898897     -7.812799      3.438948
  H      -2.452943     -7.521524      2.430035
  H      -7.178868     -6.781696      2.035694
  H      -6.137978     -7.511223      3.277768
  H      -5.322154     -5.708405      0.933670
  H      -4.809842     -7.400576      1.176662
  H      -2.876101     -3.050724      1.018374
  H      -4.494598     -3.746567      0.827163
  H      -2.046190     -5.028056      2.156109
  H      -2.836029     -5.576587      0.653222
  C      -4.164434     -1.812125      2.905470
  C      -3.950379     -1.144389      4.131420
  C      -4.180013      0.218327      4.267226
  C      -4.599364      0.940131      3.157142
  F      -4.844415      2.263701      3.293160
  C      -4.791606      0.329015      1.910954
  C      -5.247871      1.063142      0.723836
  O      -5.551779      0.540632     -0.345139
  C      -5.254761      2.599372      0.676682
  O      -4.264912      3.230561      0.395633
  C      -6.658312      3.224774      0.859067
  O      -7.598801      2.598912      1.248517
  Cl     -6.698704      4.965652      0.523949
  C      -4.577617     -1.056904      1.805007
  C      -7.614809     -5.011102      3.944229
  C      -8.581450     -5.894401      4.454169
  C      -9.548794     -5.408209      5.337755
  C      -9.486553     -4.082254      5.771730
  F     -10.299939     -3.693102      6.778748
  C      -8.565337     -3.179908      5.237892
  C      -8.150200     -1.854703      5.850953
  O      -8.900670     -0.882510      5.944259
  C      -6.762157     -1.876052      6.291385
  O      -6.103959     -3.170013      6.418253
  C      -6.094779     -0.780157      6.868879
  O      -6.393396      0.379226      6.957501
  Cl     -4.350488     -1.272967      7.562321
  C      -7.751588     -3.642901      4.209939
  C      -3.353630     -5.740987      6.534466
  C      -2.096894     -5.666189      7.171149
  C      -1.999559     -5.601499      8.558314
  C      -3.162226     -5.623779      9.316613
  F      -3.061183     -5.525667     10.662442
  C      -4.427548     -5.736194      8.724487
  C      -5.680879     -5.773311      9.496782
  O      -6.801366     -5.746672      9.002286
  C      -5.682336     -5.979021     11.018156
  O      -5.559236     -7.073831     11.511436
  C      -6.013043     -4.697912     11.819600
  O      -5.953570     -3.605374     11.339911
  Cl     -6.413595     -5.016951     13.517775
  C      -4.501527     -5.800996      7.326273
  H      -3.611635     -1.708095      5.001437
  H      -4.045587      0.714479      5.228260
  H      -4.768624     -1.510894      0.832610
  H      -8.532223     -6.964211      4.247350
  H     -10.286597     -6.077217      5.781611
  H      -7.069303     -2.937205      3.734041
  H      -1.186119     -5.618016      6.573174
  H      -1.034216     -5.511269      9.056089
  H      -5.488328     -5.902248      6.872407
  N      -5.427077     -3.620290      5.403688
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646641205163
  N      -3.979790     -3.207106      2.818513
  C      -3.627755     -3.721679      1.486520
  C      -3.021999     -5.103708      1.630614
  N      -3.915766     -5.954329      2.464854
  C      -5.082175     -6.466481      1.689468
  C      -6.268637     -6.634658      2.623508
  N      -6.377618     -5.405564      3.413587
  Mo     -4.712084     -4.556494      4.102883
  N      -3.471934     -5.731456      5.120637
  C      -2.477411     -6.508846      4.368714
  C      -3.169513     -7.054294      3.131744
  H      -2.108012     -7.345406      4.982086
  H      -1.601796     -5.892872      4.098777
  H      -3.903527     -7.811064      3.439576
  H      -2.459620     -7.519312      2.427708
  H      -7.185880     -6.790126      2.034450
  H      -6.143206     -7.516782      3.276581
  H      -5.332363     -5.713754      0.931092
  H      -4.815562     -7.404350      1.175634
  H      -2.894247     -3.050536      1.011092
  H      -4.511558     -3.750410      0.823341
  H      -2.057921     -5.024051      2.151087
  H      -2.847868     -5.576078      0.649531
  C      -4.172727     -1.809731      2.897551
  C      -3.970492     -1.144243      4.126778
  C      -4.188044      0.220417      4.260460
  C      -4.587098      0.946412      3.146164
  F      -4.813468      2.273873      3.277018
  C      -4.766188      0.338305      1.897443
  C      -5.197250      1.079326      0.706368
  O      -5.492539      0.564705     -0.368725
  C      -5.206468      2.615255      0.673148
  O      -4.209069      3.252717      0.436850
  C      -6.616482      3.234731      0.823548
  O      -7.568660      2.598441      1.165544
  Cl     -6.654847      4.977768      0.500267
  C      -4.560718     -1.048991      1.791656
  C      -7.625380     -5.021946      3.944425
  C      -8.588946     -5.909579      4.453097
  C      -9.557397     -5.428316      5.338124
  C      -9.499483     -4.103131      5.774902
  F     -10.313086     -3.719077      6.783589
  C      -8.580568     -3.196973      5.243303
  C      -8.168202     -1.873008      5.860320
  O      -8.924075     -0.906427      5.966444
  C      -6.783939     -1.895864      6.313630
  O      -6.118839     -3.188583      6.422615
  C      -6.135233     -0.810257      6.930732
  O      -6.446252      0.343294      7.047983
  Cl     -4.418413     -1.317104      7.681344
  C      -7.766241     -3.654893      4.213877
  C      -3.352534     -5.728668      6.528991
  C      -2.093477     -5.642940      7.159380
  C      -1.990201     -5.572337      8.545828
  C      -3.149178     -5.600275      9.309614
  F      -3.042484     -5.496075     10.654482
  C      -4.416492     -5.723509      8.723737
  C      -5.665881     -5.768353      9.501881
  O      -6.788769     -5.749979      9.012313
  C      -5.659737     -5.973962     11.023351
  O      -5.525127     -7.067637     11.516156
  C      -5.996638     -4.695545     11.826413
  O      -5.944604     -3.602299     11.347376
  Cl     -6.386105     -5.017740     13.526512
  C      -4.496422     -5.793180      7.326106
  H      -3.644244     -1.709487      5.000225
  H      -4.057728      0.715131      5.222774
  H      -4.738728     -1.498484      0.814769
  H      -8.536685     -6.978768      4.243818
  H     -10.292999     -6.100597      5.780724
  H      -7.086069     -2.945498      3.740373
  H      -1.185801     -5.591321      6.556987
  H      -1.023215     -5.473638      9.038789
  H      -5.484462     -5.903050      6.876966
  N      -5.440931     -3.627133      5.402932
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646683691821
  N      -3.990270     -3.203039      2.830364
  C      -3.628421     -3.708972      1.497213
  C      -3.026959     -5.093342      1.634438
  N      -3.924066     -5.946565      2.461806
  C      -5.089289     -6.454072      1.681984
  C      -6.275567     -6.631484      2.614491
  N      -6.387146     -5.409245      3.414289
  Mo     -4.721786     -4.558426      4.105895
  N      -3.481228     -5.735095      5.120953
  C      -2.487594     -6.510264      4.364697
  C      -3.179914     -7.050065      3.125366
  H      -2.119294     -7.350025      4.974352
  H      -1.611411     -5.893961      4.097510
  H      -3.914871     -7.807336      3.429573
  H      -2.469561     -7.513258      2.420567
  H      -7.192305     -6.784433      2.023952
  H      -6.148621     -7.518959      3.260065
  H      -5.340572     -5.695559      0.929644
  H      -4.821311     -7.387554      1.160858
  H      -2.889126     -3.036664      1.032691
  H      -4.507321     -3.729589      0.827610
  H      -2.063683     -5.018950      2.157214
  H      -2.851695     -5.560422      0.651027
  C      -4.177021     -1.804019      2.913369
  C      -3.982402     -1.137261      4.143227
  C      -4.194068      0.228887      4.270934
  C      -4.577966      0.953745      3.150649
  F      -4.789977      2.284888      3.273693
  C      -4.748169      0.344328      1.901701
  C      -5.150571      1.087904      0.701451
  O      -5.438193      0.574004     -0.375981
  C      -5.170622      2.624738      0.681224
  O      -4.174281      3.271137      0.466665
  C      -6.590390      3.231934      0.786930
  O      -7.551376      2.582504      1.075173
  Cl     -6.632311      4.976933      0.475112
  C      -4.550875     -1.044818      1.801374
  C      -7.635787     -5.032810      3.947667
  C      -8.597515     -5.927851      4.447232
  C      -9.570916     -5.457300      5.332434
  C      -9.520453     -4.135258      5.779398
  F     -10.339509     -3.762890      6.787891
  C      -8.601719     -3.221997      5.259653
  C      -8.199113     -1.902512      5.890966
  O      -8.953060     -0.932852      5.981547
  C      -6.805830     -1.910177      6.316810
  O      -6.130050     -3.196908      6.427947
  C      -6.154736     -0.816303      6.915409
  O      -6.476979      0.333395      7.039593
  Cl     -4.423650     -1.307312      7.641147
  C      -7.782501     -3.668754      4.228692
  C      -3.355103     -5.732011      6.528780
  C      -2.093550     -5.645821      7.154063
  C      -1.985162     -5.574388      8.540186
  C      -3.141215     -5.600912      9.308456
  F      -3.029740     -5.494133     10.652726
  C      -4.410676     -5.725155      8.727432
  C      -5.657162     -5.768353      9.510216
  O      -6.782137     -5.742353      9.025955
  C      -5.645864     -5.962988     11.032806
  O      -5.487869     -7.050184     11.533185
  C      -5.970130     -4.677615     11.829730
  O      -5.919179     -3.588158     11.341913
  Cl     -6.328262     -4.984816     13.539555
  C      -4.495880     -5.796286      7.330370
  H      -3.664246     -1.700876      5.020584
  H      -4.068835      0.727192      5.232144
  H      -4.724390     -1.496679      0.825118
  H      -8.541134     -6.995028      4.228712
  H     -10.305753     -6.135712      5.766825
  H      -7.103735     -2.952837      3.762671
  H      -1.187924     -5.594149      6.548683
  H      -1.016323     -5.474882      9.029359
  H      -5.485629     -5.905917      6.885068
  N      -5.452904     -3.633616      5.407954
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646805211131
  N      -4.007377     -3.200599      2.828437
  C      -3.646860     -3.705896      1.494575
  C      -3.040027     -5.088292      1.630200
  N      -3.932821     -5.945682      2.457919
  C      -5.096971     -6.457168      1.679069
  C      -6.281868     -6.639363      2.612536
  N      -6.396451     -5.418743      3.414212
  Mo     -4.733132     -4.561204      4.103298
  N      -3.484124     -5.731051      5.115440
  C      -2.490325     -6.504512      4.357655
  C      -3.184145     -7.046802      3.120312
  H      -2.118777     -7.342800      4.967373
  H      -1.616173     -5.886347      4.088121
  H      -3.916498     -7.805677      3.426828
  H      -2.474363     -7.508654      2.414033
  H      -7.198701     -6.794034      2.022548
  H      -6.151985     -7.527576      3.256538
  H      -5.351737     -5.699566      0.927013
  H      -4.826086     -7.389559      1.157487
  H      -2.911119     -3.031092      1.028104
  H      -4.527261     -3.730069      0.827025
  H      -2.076290     -5.010672      2.151600
  H      -2.864329     -5.553791      0.646110
  C      -4.194053     -1.802391      2.914139
  C      -4.023608     -1.142592      4.151577
  C      -4.238760      0.222625      4.283880
  C      -4.597957      0.955896      3.160442
  F      -4.819257      2.284724      3.290350
  C      -4.741370      0.354505      1.904068
  C      -5.119220      1.102012      0.697805
  O      -5.377341      0.590626     -0.388193
  C      -5.110031      2.638800      0.669249
  O      -4.097369      3.266535      0.476832
  C      -6.520706      3.273259      0.736303
  O      -7.499056      2.647812      1.019085
  Cl     -6.520870      5.016257      0.412676
  C      -4.544418     -1.034582      1.800131
  C      -7.645106     -5.049648      3.953068
  C      -8.600675     -5.950439      4.454222
  C      -9.572121     -5.486482      5.345037
  C      -9.525500     -4.165342      5.795265
  F     -10.341837     -3.798939      6.808114
  C      -8.614348     -3.246039      5.272558
  C      -8.215025     -1.926105      5.905299
  O      -8.976987     -0.964710      6.014972
  C      -6.822388     -1.931823      6.333666
  O      -6.140201     -3.215762      6.434217
  C      -6.175440     -0.840185      6.941755
  O      -6.503616      0.306439      7.077910
  Cl     -4.438711     -1.327997      7.655590
  C      -7.797255     -3.687017      4.237650
  C      -3.351481     -5.722675      6.522860
  C      -2.087949     -5.623711      7.142009
  C      -1.973872     -5.545684      8.527314
  C      -3.126181     -5.578337      9.300905
  F      -3.009403     -5.464929     10.644117
  C      -4.397201     -5.715704      8.726220
  C      -5.639860     -5.764873      9.514637
  O      -6.766842     -5.758499      9.034168
  C      -5.620710     -5.953583     11.037864
  O      -5.464204     -7.039546     11.541387
  C      -5.962083     -4.669787     11.830007
  O      -5.922950     -3.581341     11.338913
  Cl     -6.329978     -4.976765     13.537701
  C      -4.488032     -5.793683      7.329848
  H      -3.722566     -1.710677      5.032241
  H      -4.134247      0.713986      5.251181
  H      -4.698917     -1.478860      0.817231
  H      -8.539996     -7.016882      4.233397
  H     -10.301747     -6.169307      5.781334
  H      -7.123183     -2.967398      3.770951
  H      -1.185535     -5.567024      6.532265
  H      -1.003680     -5.436259      9.011647
  H      -5.478761     -5.913296      6.889366
  N      -5.464833     -3.643038      5.409295
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646762680030
  N      -3.999032     -3.198932      2.836383
  C      -3.622615     -3.698605      1.504637
  C      -3.027686     -5.086095      1.638015
  N      -3.930530     -5.940333      2.457112
  C      -5.093595     -6.442413      1.671408
  C      -6.280686     -6.629533      2.601203
  N      -6.393799     -5.416062      3.413060
  Mo     -4.729796     -4.558871      4.103608
  N      -3.488033     -5.734425      5.118140
  C      -2.497707     -6.512918      4.360338
  C      -3.191773     -7.047998      3.120083
  H      -2.133475     -7.355369      4.968791
  H      -1.618669     -5.900028      4.094715
  H      -3.930227     -7.802320      3.423091
  H      -2.482878     -7.513807      2.415435
  H      -7.196674     -6.777078      2.008035
  H      -6.154262     -7.524088      3.237173
  H      -5.344981     -5.678218      0.924808
  H      -4.823966     -7.371355      1.142900
  H      -2.874954     -3.026509      1.053502
  H      -4.494288     -3.710227      0.825261
  H      -2.066245     -5.018240      2.164904
  H      -2.849661     -5.548451      0.652871
  C      -4.187079     -1.799479      2.920449
  C      -4.000383     -1.129718      4.149118
  C      -4.214493      0.236260      4.269960
  C      -4.588178      0.956874      3.143569
  F      -4.812980      2.286086      3.264006
  C      -4.746677      0.343072      1.894951
  C      -5.137992      1.079555      0.687393
  O      -5.406089      0.560095     -0.391608
  C      -5.132806      2.615328      0.654391
  O      -4.125899      3.246835      0.445200
  C      -6.542811      3.244682      0.769846
  O      -7.512415      2.610590      1.064950
  Cl     -6.551386      4.996110      0.493574
  C      -4.550739     -1.046670      1.801767
  C      -7.642613     -5.046735      3.951102
  C      -8.599578     -5.946794      4.451676
  C      -9.571074     -5.481720      5.341935
  C      -9.524904     -4.160080      5.790798
  F     -10.342960     -3.792320      6.801882
  C      -8.613699     -3.241404      5.267049
  C      -8.215602     -1.918813      5.893180
  O      -8.985724     -0.966404      6.021831
  C      -6.824850     -1.921833      6.325647
  O      -6.140860     -3.206043      6.428721
  C      -6.184730     -0.829183      6.940214
  O      -6.513704      0.318655      7.065599
  Cl     -4.441672     -1.305435      7.643217
  C      -7.794686     -3.684431      4.235370
  C      -3.354268     -5.726596      6.525251
  C      -2.089677     -5.639273      7.143612
  C      -1.974719     -5.564159      8.529125
  C      -3.127015     -5.587780      9.303092
  F      -3.009029     -5.477182     10.646491
  C      -4.399366     -5.712906      8.728469
  C      -5.642408     -5.754050      9.516598
  O      -6.769177     -5.736864      9.035839
  C      -5.624900     -5.950274     11.038658
  O      -5.473268     -7.039402     11.536888
  C      -5.961895     -4.668795     11.836181
  O      -5.916487     -3.578173     11.349980
  Cl     -6.332416     -4.981748     13.542169
  C      -4.491156     -5.788360      7.332374
  H      -3.686045     -1.688900      5.030721
  H      -4.098799      0.739213      5.230034
  H      -4.717790     -1.502366      0.825985
  H      -8.538951     -7.013359      4.231492
  H     -10.301282     -6.163782      5.778540
  H      -7.118281     -2.965843      3.770840
  H      -1.186649     -5.590062      6.534140
  H      -1.003409     -5.463972      9.013231
  H      -5.482919     -5.899152      6.891966
  N      -5.462832     -3.639005      5.408019
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646857852866
  N      -4.015146     -3.197801      2.831507
  C      -3.644832     -3.700390      1.499315
  C      -3.042892     -5.085050      1.633281
  N      -3.940834     -5.943192      2.453859
  C      -5.102343     -6.449998      1.668753
  C      -6.289542     -6.638509      2.598110
  N      -6.405064     -5.424679      3.409184
  Mo     -4.743672     -4.562624      4.099421
  N      -3.493030     -5.730480      5.111505
  C      -2.502346     -6.508733      4.354401
  C      -3.197574     -7.047751      3.116620
  H      -2.135375     -7.348761      4.964542
  H      -1.624889     -5.894745      4.085954
  H      -3.933724     -7.803081      3.422750
  H      -2.489541     -7.513027      2.410770
  H      -7.205034     -6.787381      2.004446
  H      -6.162495     -7.532510      3.234707
  H      -5.355213     -5.688154      0.920347
  H      -4.829950     -7.379262      1.142244
  H      -2.902899     -3.026392      1.041557
  H      -4.520183     -3.718426      0.824656
  H      -2.080967     -5.012425      2.158611
  H      -2.864321     -5.546926      0.647991
  C      -4.200537     -1.799453      2.919136
  C      -4.044290     -1.142505      4.159625
  C      -4.256167      0.223122      4.290726
  C      -4.598038      0.959472      3.163860
  F      -4.820129      2.287850      3.294072
  C      -4.724159      0.360254      1.904758
  C      -5.083429      1.108554      0.694544
  O      -5.335996      0.599562     -0.393639
  C      -5.072619      2.643979      0.667992
  O      -4.056963      3.273439      0.498611
  C      -6.485241      3.276847      0.714815
  O      -7.467154      2.650668      0.984465
  Cl     -6.480654      5.020661      0.394954
  C      -4.529771     -1.029179      1.801058
  C      -7.653990     -5.062572      3.952682
  C      -8.604807     -5.968680      4.453684
  C      -9.575121     -5.510924      5.348929
  C      -9.532847     -4.190876      5.802398
  F     -10.348065     -3.830392      6.818350
  C      -8.627202     -3.266244      5.279248
  C      -8.232320     -1.946269      5.914178
  O      -9.000405     -0.991192      6.035440
  C      -6.841657     -1.949136      6.347247
  O      -6.151237     -3.230422      6.437189
  C      -6.202484     -0.858366      6.966672
  O      -6.536018      0.286689      7.104152
  Cl     -4.457984     -1.335374      7.665473
  C      -7.810663     -3.701556      4.241960
  C      -3.354221     -5.715957      6.518407
  C      -2.088444     -5.610782      7.131437
  C      -1.968788     -5.527467      8.516036
  C      -3.117656     -5.561356      9.294601
  F      -2.995588     -5.442972     10.636932
  C      -4.390659     -5.705181      8.725876
  C      -5.629671     -5.758043      9.519593
  O      -6.758515     -5.760601      9.043297
  C      -5.603809     -5.939231     11.043704
  O      -5.440860     -7.021825     11.552370
  C      -5.940860     -4.651101     11.830618
  O      -5.909700     -3.565920     11.331486
  Cl     -6.289991     -4.947087     13.543944
  C      -4.487086     -5.788271      7.330304
  H      -3.754085     -1.711259      5.043436
  H      -4.161610      0.713479      5.259603
  H      -4.669792     -1.469722      0.814293
  H      -8.540571     -7.034203      4.229567
  H     -10.300912     -6.197576      5.785715
  H      -7.139331     -2.979024      3.775951
  H      -1.188668     -5.553840      6.517809
  H      -0.996850     -5.413323      8.995753
  H      -5.479043     -5.913467      6.894253
  N      -5.476329     -3.650512      5.408861
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646849195593
  N      -4.018020     -3.195325      2.836632
  C      -3.641303     -3.694348      1.504719
  C      -3.043053     -5.080647      1.636195
  N      -3.944292     -5.939393      2.452320
  C      -5.105182     -6.442205      1.664004
  C      -6.292759     -6.635392      2.591948
  N      -6.408136     -5.426154      3.409650
  Mo     -4.747020     -4.562611      4.100019
  N      -3.496150     -5.731425      5.110714
  C      -2.507661     -6.511456      4.352393
  C      -3.204004     -7.046819      3.113675
  H      -2.143281     -7.353470      4.961357
  H      -1.628269     -5.899668      4.085203
  H      -3.942216     -7.800634      3.418530
  H      -2.497059     -7.512976      2.407322
  H      -7.208083     -6.780717      1.997132
  H      -6.166279     -7.533083      3.223476
  H      -5.357562     -5.676496      0.919337
  H      -4.832541     -7.368805      1.132870
  H      -2.894947     -3.020750      1.053529
  H      -4.512934     -3.707185      0.825326
  H      -2.081983     -5.011810      2.163598
  H      -2.863307     -5.539778      0.649815
  C      -4.203697     -1.796382      2.925228
  C      -4.049305     -1.138100      4.165097
  C      -4.261607      0.227674      4.293598
  C      -4.601637      0.962255      3.164965
  F      -4.821457      2.291329      3.292178
  C      -4.725710      0.361254      1.906532
  C      -5.081719      1.108986      0.694971
  O      -5.316813      0.599958     -0.397288
  C      -5.060482      2.644370      0.667130
  O      -4.040514      3.267079      0.498389
  C      -6.470226      3.284946      0.694410
  O      -7.458985      2.664417      0.951306
  Cl     -6.453707      5.025494      0.356650
  C      -4.530724     -1.028463      1.804901
  C      -7.657088     -5.067677      3.955664
  C      -8.605814     -5.976782      4.455067
  C      -9.576914     -5.522999      5.351497
  C      -9.537366     -4.203995      5.808054
  F     -10.353252     -3.847742      6.824970
  C      -8.633025     -3.276544      5.287654
  C      -8.241347     -1.957824      5.926938
  O      -9.008208     -1.000660      6.039868
  C      -6.848027     -1.955043      6.350898
  O      -6.153435     -3.233922      6.440502
  C      -6.208594     -0.861515      6.964873
  O      -6.549812      0.280133      7.111733
  Cl     -4.469666     -1.338065      7.675801
  C      -7.816138     -3.707756      4.248798
  C      -3.353887     -5.716062      6.517437
  C      -2.086647     -5.610634      7.127349
  C      -1.963807     -5.526932      8.511711
  C      -3.110852     -5.560603      9.292951
  F      -2.985766     -5.441167     10.634939
  C      -4.385152     -5.705067      8.727243
  C      -5.622516     -5.757681      9.523640
  O      -6.752388     -5.759121      9.049800
  C      -5.593194     -5.936440     11.047866
  O      -5.436330     -7.019406     11.557638
  C      -5.933782     -4.647871     11.832472
  O      -5.904131     -3.563368     11.331681
  Cl     -6.288717     -4.942391     13.544816
  C      -4.484796     -5.788623      7.331980
  H      -3.760256     -1.705324      5.050178
  H      -4.168335      0.720073      5.261584
  H      -4.669495     -1.470499      0.818754
  H      -8.539971     -7.041549      4.227740
  H     -10.301491     -6.211984      5.786606
  H      -7.146059     -2.983287      3.783938
  H      -1.188249     -5.553660      6.511747
  H      -0.990764     -5.412369      8.989088
  H      -5.477697     -5.914130      6.898240
  N      -5.479265     -3.652763      5.411410
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646891991855
  N      -4.031314     -3.193574      2.836945
  C      -3.651613     -3.690710      1.505179
  C      -3.052320     -5.076827      1.634779
  N      -3.953331     -5.938714      2.447821
  C      -5.112358     -6.441774      1.656998
  C      -6.300299     -6.640462      2.583377
  N      -6.418286     -5.434680      3.405654
  Mo     -4.759462     -4.566170      4.096309
  N      -3.503310     -5.730433      5.105340
  C      -2.515508     -6.511039      4.346738
  C      -3.212471     -7.046205      3.108371
  H      -2.151294     -7.353028      4.955853
  H      -1.635859     -5.899713      4.079268
  H      -3.950579     -7.799994      3.413550
  H      -2.506049     -7.512242      2.401407
  H      -7.214948     -6.784821      1.987248
  H      -6.173064     -7.540537      3.211376
  H      -5.365714     -5.674455      0.914332
  H      -4.837183     -7.366194      1.123345
  H      -2.904572     -3.016165      1.056493
  H      -4.521908     -3.702524      0.824004
  H      -2.091835     -5.008250      2.163206
  H      -2.870963     -5.533282      0.647436
  C      -4.214919     -1.794928      2.928110
  C      -4.082019     -1.142410      4.173770
  C      -4.293037      0.223326      4.304831
  C      -4.608646      0.965123      3.173607
  F      -4.828198      2.293811      3.303825
  C      -4.709242      0.370500      1.910128
  C      -5.036605      1.124087      0.694212
  O      -5.259245      0.620056     -0.403033
  C      -5.009571      2.659248      0.669733
  O      -3.982041      3.279837      0.544848
  C      -6.417166      3.305647      0.656186
  O      -7.415516      2.690510      0.887609
  Cl     -6.382168      5.047981      0.328785
  C      -4.517474     -1.019582      1.805865
  C      -7.667432     -5.084163      3.956823
  C      -8.610429     -5.999507      4.455716
  C      -9.580358     -5.553527      5.357355
  C      -9.545102     -4.236143      5.818912
  F     -10.358977     -3.887380      6.840056
  C      -8.647404     -3.302299      5.298315
  C      -8.259857     -1.984111      5.941426
  O      -9.033022     -1.033680      6.067607
  C      -6.867145     -1.978650      6.367159
  O      -6.165830     -3.254558      6.445598
  C      -6.232699     -0.887536      6.990994
  O      -6.577727      0.252159      7.143969
  Cl     -4.485385     -1.358109      7.684101
  C      -7.831924     -3.726094      4.255483
  C      -3.355376     -5.709487      6.511661
  C      -2.086561     -5.592316      7.115973
  C      -1.958836     -5.501761      8.499474
  C      -3.102537     -5.540039      9.285342
  F      -2.973127     -5.413575     10.626273
  C      -4.377917     -5.696619      8.725439
  C      -5.611699     -5.753756      9.526991
  O      -6.743271     -5.769157      9.057478
  C      -5.575267     -5.917075     11.052843
  O      -5.405166     -6.992963     11.573233
  C      -5.913791     -4.621080     11.826129
  O      -5.894953     -3.542402     11.312412
  Cl     -6.244812     -4.896850     13.546291
  C      -4.482403     -5.787500      7.330972
  H      -3.809827     -1.713457      5.061748
  H      -4.216101      0.710637      5.276876
  H      -4.638033     -1.455118      0.814473
  H      -8.540485     -7.063107      4.224238
  H     -10.300230     -6.247406      5.792521
  H      -7.166228     -2.997305      3.791271
  H      -1.191068     -5.531340      6.496517
  H      -0.984766     -5.378065      8.972452
  H      -5.476008     -5.922026      6.901617
  N      -5.493013     -3.663629      5.411711
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646890452242
  N      -4.026618     -3.192859      2.838988
  C      -3.643054     -3.689336      1.508056
  C      -3.048144     -5.077257      1.637642
  N      -3.953044     -5.937644      2.447854
  C      -5.111841     -6.436788      1.654410
  C      -6.300989     -6.635982      2.579122
  N      -6.417466     -5.432319      3.404647
  Mo     -4.758313     -4.564887      4.095884
  N      -3.504678     -5.731321      5.105569
  C      -2.518895     -6.515335      4.347950
  C      -3.216237     -7.047744      3.108635
  H      -2.158432     -7.358796      4.957283
  H      -1.636595     -5.907225      4.081794
  H      -3.957058     -7.799283      3.412774
  H      -2.510702     -7.515756      2.402090
  H      -7.215375     -6.776959      1.981792
  H      -6.175950     -7.538018      3.204748
  H      -5.363078     -5.666986      0.913572
  H      -4.837513     -7.360166      1.118480
  H      -2.891977     -3.016563      1.063378
  H      -4.510611     -3.697088      0.823325
  H      -2.088550     -5.012132      2.168079
  H      -2.865988     -5.533004      0.650114
  C      -4.210351     -1.793808      2.929864
  C      -4.074198     -1.140165      4.174343
  C      -4.284182      0.225752      4.303976
  C      -4.602690      0.965844      3.172538
  F      -4.823328      2.294321      3.301718
  C      -4.706537      0.369389      1.910015
  C      -5.038508      1.121838      0.695026
  O      -5.274510      0.617058     -0.399160
  C      -5.018604      2.656781      0.670382
  O      -3.995738      3.281208      0.527792
  C      -6.429779      3.294783      0.660143
  O      -7.422703      2.675562      0.903873
  Cl     -6.407707      5.033687      0.312791
  C      -4.515113     -1.020760      1.806897
  C      -7.666357     -5.081732      3.956590
  C      -8.609197     -5.996682      4.456371
  C      -9.578071     -5.550177      5.358986
  C      -9.541942     -4.232684      5.820182
  F     -10.354792     -3.883295      6.841998
  C      -8.644676     -3.299206      5.298250
  C      -8.256234     -1.980223      5.939236
  O      -9.030312     -1.030824      6.067830
  C      -6.864407     -1.975483      6.367110
  O      -6.163939     -3.252077      6.445283
  C      -6.230561     -0.884815      6.992540
  O      -6.574049      0.255937      7.141492
  Cl     -4.482389     -1.354317      7.683329
  C      -7.830207     -3.723595      4.255057
  C      -3.356853     -5.709896      6.511940
  C      -2.087966     -5.593718      7.116217
  C      -1.960292     -5.503129      8.499742
  C      -3.104097     -5.540625      9.285525
  F      -2.974662     -5.414070     10.626481
  C      -4.379572     -5.696202      8.725542
  C      -5.613739     -5.752468      9.526659
  O      -6.744825     -5.771512      9.056178
  C      -5.577641     -5.920466     11.052028
  O      -5.412721     -6.998573     11.569458
  C      -5.916167     -4.626225     11.828370
  O      -5.897774     -3.546354     11.317060
  Cl     -6.250049     -4.906358     13.547264
  C      -4.483951     -5.787015      7.331104
  H      -3.800331     -1.710442      5.062284
  H      -4.205003      0.714516      5.275104
  H      -4.637916     -1.457775      0.816421
  H      -8.539843     -7.060327      4.224918
  H     -10.297743     -6.243711      5.795041
  H      -7.164313     -2.995540      3.790116
  H      -1.192380     -5.533572      6.496812
  H      -0.986154     -5.380189      8.972778
  H      -5.477601     -5.920826      6.901630
  N      -5.491069     -3.661973      5.411648
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646905570684
  N      -4.028281     -3.192804      2.839266
  C      -3.642981     -3.688803      1.508671
  C      -3.048685     -5.076954      1.638195
  N      -3.954445     -5.937668      2.447134
  C      -5.112664     -6.436083      1.652438
  C      -6.302122     -6.636825      2.576382
  N      -6.419077     -5.434301      3.403531
  Mo     -4.760636     -4.565633      4.094901
  N      -3.506461     -5.731408      5.104632
  C      -2.521122     -6.516392      4.347522
  C      -3.218326     -7.048250      3.107894
  H      -2.161692     -7.360130      4.957093
  H      -1.638051     -5.909181      4.081792
  H      -3.959658     -7.799430      3.411666
  H      -2.512911     -7.516502      2.401398
  H      -7.216280     -6.777096      1.978546
  H      -6.177144     -7.539642      3.200885
  H      -5.363690     -5.665209      0.912636
  H      -4.837776     -7.358581      1.115268
  H      -2.890785     -3.016244      1.065483
  H      -4.509424     -3.695548      0.822533
  H      -2.089517     -5.012470      2.169453
  H      -2.865829     -5.532143      0.650532
  C      -4.212353     -1.793721      2.930351
  C      -4.078298     -1.140587      4.175307
  C      -4.287978      0.225402      4.304990
  C      -4.604304      0.966045      3.173262
  F      -4.824252      2.294594      3.302331
  C      -4.706407      0.369899      1.910405
  C      -5.036632      1.123126      0.695573
  O      -5.267597      0.619237     -0.400180
  C      -5.011007      2.657894      0.669429
  O      -3.984603      3.278736      0.536466
  C      -6.419365      3.302006      0.659795
  O      -7.414867      2.687237      0.904039
  Cl     -6.389427      5.041615      0.315753
  C      -4.514926     -1.020215      1.807089
  C      -7.668090     -5.085776      3.956692
  C      -8.609248     -6.002267      4.456675
  C      -9.577975     -5.557644      5.360400
  C      -9.543159     -4.240442      5.822419
  F     -10.355512     -3.892824      6.845270
  C      -8.647505     -3.305465      5.300470
  C      -8.260549     -1.986372      5.942296
  O      -9.034848     -1.036761      6.068137
  C      -6.868224     -1.979502      6.368234
  O      -6.166196     -3.255222      6.445757
  C      -6.234713     -0.887761      6.992051
  O      -6.580005      0.252322      7.142041
  Cl     -4.486794     -1.355829      7.684168
  C      -7.833471     -3.727995      4.256113
  C      -3.357925     -5.708704      6.510988
  C      -2.088899     -5.589550      7.114392
  C      -1.960564     -5.497663      8.497769
  C      -3.103840     -5.536851      9.284240
  F      -2.973889     -5.409077     10.625057
  C      -4.379307     -5.695511      8.725195
  C      -5.612893     -5.753809      9.527140
  O      -6.744319     -5.773446      9.057573
  C      -5.575377     -5.916188     11.053159
  O      -5.407522     -6.991897     11.574555
  C      -5.911112     -4.618544     11.825145
  O      -5.895260     -3.540979     11.308933
  Cl     -6.235618     -4.890884     13.547092
  C      -4.484343     -5.787562      7.330862
  H      -3.806211     -1.711317      5.063499
  H      -4.210177      0.713805      5.276413
  H      -4.635846     -1.456790      0.816219
  H      -8.538816     -7.065647      4.224314
  H     -10.296399     -6.252406      5.796547
  H      -7.168911     -2.998966      3.790729
  H      -1.193834     -5.528121      6.494358
  H      -0.986391     -5.372458      8.970136
  H      -5.477979     -5.923649      6.902068
  N      -5.493561     -3.663802      5.411390
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646909519632
  N      -4.030750     -3.192170      2.840116
  C      -3.643275     -3.687097      1.509738
  C      -3.050106     -5.075777      1.638666
  N      -3.957168     -5.936971      2.445744
  C      -5.114818     -6.434037      1.649406
  C      -6.304521     -6.637154      2.572490
  N      -6.421920     -5.436488      3.402323
  Mo     -4.764168     -4.566297      4.093588
  N      -3.509306     -5.731516      5.102955
  C      -2.524850     -6.517891      4.346229
  C      -3.222116     -7.048519      3.106117
  H      -2.167021     -7.362244      4.955909
  H      -1.640599     -5.912081      4.081132
  H      -3.964207     -7.799206      3.409242
  H      -2.516977     -7.516993      2.399504
  H      -7.218516     -6.776237      1.974144
  H      -6.179516     -7.541281      3.195095
  H      -5.365735     -5.661411      0.911380
  H      -4.839324     -7.355132      1.110129
  H      -2.889492     -3.014805      1.068760
  H      -4.508239     -3.692163      0.821787
  H      -2.091443     -5.012488      2.170953
  H      -2.866508     -5.530005      0.650690
  C      -4.214454     -1.792965      2.931921
  C      -4.084388     -1.141035      4.177928
  C      -4.293479      0.225041      4.308049
  C      -4.604886      0.967024      3.175798
  F      -4.823170      2.295809      3.304952
  C      -4.703133      0.371956      1.912072
  C      -5.028101      1.126981      0.697024
  O      -5.254714      0.624618     -0.400474
  C      -4.998703      2.661667      0.670835
  O      -3.969626      3.279832      0.546010
  C      -6.405161      3.309358      0.650139
  O      -7.403683      2.698141      0.890652
  Cl     -6.368659      5.047785      0.300128
  C      -4.512555     -1.018241      1.808230
  C      -7.670895     -5.091037      3.957768
  C      -8.609439     -6.009827      4.458292
  C      -9.577409     -5.568053      5.364280
  C      -9.544134     -4.251340      5.827785
  F     -10.355170     -3.906396      6.852623
  C      -8.651294     -3.314058      5.305215
  C      -8.266020     -1.994635      5.947524
  O      -9.042099     -1.046626      6.074721
  C      -6.873096     -1.985285      6.371270
  O      -6.169146     -3.259938      6.447046
  C      -6.240279     -0.893045      6.994780
  O      -6.587551      0.246162      7.146875
  Cl     -4.491854     -1.359748      7.686216
  C      -7.838370     -3.733886      4.258885
  C      -3.359220     -5.706885      6.509261
  C      -2.089819     -5.583086      7.110914
  C      -1.960065     -5.489154      8.494018
  C      -3.102292     -5.530828      9.281894
  F      -2.971138     -5.401115     10.622434
  C      -4.377922     -5.694069      8.724665
  C      -5.610416     -5.754954      9.528186
  O      -6.742343     -5.777826      9.060057
  C      -5.570224     -5.911800     11.054782
  O      -5.400993     -6.985472     11.579842
  C      -5.906213     -4.611597     11.822462
  O      -5.894678     -3.536203     11.301670
  Cl     -6.224380     -4.877492     13.546620
  C      -4.484366     -5.788233      7.330546
  H      -3.815996     -1.712836      5.066550
  H      -4.218658      0.712513      5.280190
  H      -4.630418     -1.453881      0.816605
  H      -8.537511     -7.072800      4.224510
  H     -10.293738     -6.264679      5.800889
  H      -7.175802     -3.003406      3.792980
  H      -1.195742     -5.519728      6.489643
  H      -0.985711     -5.360462      8.965072
  H      -5.478123     -5.927619      6.903075
  N      -5.497041     -3.666268      5.411453
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -6484.394878612316
  N      -4.031089     -3.191755      2.840506
  C      -3.641214     -3.686121      1.510613
  C      -3.050035     -5.075632      1.639724
  N      -3.959265     -5.936402      2.444976
  C      -5.116377     -6.431642      1.646759
  C      -6.306477     -6.636707      2.568830
  N      -6.424081     -5.437690      3.401144
  Mo     -4.766961     -4.566037      4.091999
  N      -3.512576     -5.731199      5.101764
  C      -2.529181     -6.519970      4.346337
  C      -3.226123     -7.049195      3.105459
  H      -2.174018     -7.365028      4.956626
  H      -1.643056     -5.916405      4.082241
  H      -3.969438     -7.799061      3.407597
  H      -2.521121     -7.518239      2.399105
  H      -7.220315     -6.774474      1.969976
  H      -6.181682     -7.541986      3.189804
  H      -5.366826     -5.657004      0.910657
  H      -4.840481     -7.351301      1.105237
  H      -2.885264     -3.014651      1.072002
  H      -4.504345     -3.689272      0.820420
  H      -2.092084     -5.013904      2.173443
  H      -2.865615     -5.529518      0.651739
  C      -4.214403     -1.792294      2.932372
  C      -4.085339     -1.140800      4.178624
  C      -4.293196      0.225503      4.308702
  C      -4.602314      0.967868      3.176105
  F      -4.818790      2.296959      3.304803
  C      -4.700177      0.372885      1.912188
  C      -5.023772      1.129056      0.697677
  O      -5.250378      0.627600     -0.400389
  C      -4.990964      2.663569      0.670065
  O      -3.959801      3.278863      0.547785
  C      -6.395472      3.314696      0.646866
  O      -7.395274      2.707096      0.891032
  Cl     -6.354925      5.051683      0.289500
  C      -4.510873     -1.017404      1.808340
  C      -7.672976     -5.095086      3.958878
  C      -8.608542     -6.015914      4.461019
  C      -9.575441     -5.576449      5.369352
  C      -9.543651     -4.259874      5.833324
  F     -10.352936     -3.916912      6.860263
  C      -8.653883     -3.320635      5.309158
  C      -8.270259     -2.000122      5.950406
  O      -9.047942     -1.053316      6.076934
  C      -6.876647     -1.987738      6.371613
  O      -6.171353     -3.261600      6.447098
  C      -6.244497     -0.894351      6.993600
  O      -6.592906      0.244607      7.145030
  Cl     -4.495832     -1.359221      7.685715
  C      -7.842545     -3.738367      4.260721
  C      -3.361759     -5.704172      6.508105
  C      -2.092351     -5.574737      7.108517
  C      -1.961865     -5.478472      8.491376
  C      -3.103386     -5.523405      9.280137
  F      -2.971706     -5.391600     10.620469
  C      -4.378827     -5.691852      8.724183
  C      -5.610596     -5.755865      9.528702
  O      -6.742524     -5.786051      9.061165
  C      -5.567886     -5.912373     11.055383
  O      -5.395793     -6.985465     11.580627
  C      -5.902758     -4.611846     11.823236
  O      -5.896651     -3.537061     11.301159
  Cl     -6.211121     -4.876554     13.549419
  C      -4.485970     -5.788354      7.330226
  H      -3.818915     -1.713407      5.067302
  H      -4.219174      0.712692      5.281052
  H      -4.628259     -1.453195      0.816732
  H      -8.535129     -7.078637      4.226535
  H     -10.289402     -6.274732      5.807168
  H      -7.182206     -3.006781      3.793423
  H      -1.199069     -5.509051      6.486332
  H      -0.987660     -5.345586      8.961572
  H      -5.479588     -5.931425      6.903592
  N      -5.499551     -3.666763      5.410801
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646818685140
  N      -4.008296     -3.191953      2.842420
  C      -3.612276     -3.687072      1.514698
  C      -3.034885     -5.081952      1.647362
  N      -3.957110     -5.935449      2.446608
  C      -5.113946     -6.420032      1.641672
  C      -6.307476     -6.624544      2.559288
  N      -6.420143     -5.429159      3.398319
  Mo     -4.762631     -4.559501      4.087829
  N      -3.519266     -5.731723      5.102108
  C      -2.541287     -6.533709      4.354613
  C      -3.236196     -7.055314      3.109251
  H      -2.201235     -7.382595      4.968297
  H      -1.644949     -5.942571      4.096349
  H      -3.987134     -7.799620      3.406193
  H      -2.532026     -7.528896      2.405194
  H      -7.221083     -6.754047      1.958484
  H      -6.188364     -7.533163      3.176457
  H      -5.358219     -5.638098      0.911107
  H      -4.840466     -7.336605      1.093758
  H      -2.845859     -3.022222      1.083801
  H      -4.468354     -3.681355      0.816159
  H      -2.080173     -5.029381      2.187699
  H      -2.848327     -5.537533      0.660551
  C      -4.195274     -1.791620      2.931039
  C      -4.053476     -1.136547      4.173418
  C      -4.262526      0.230016      4.301318
  C      -4.587311      0.966681      3.169548
  F      -4.802589      2.296177      3.294022
  C      -4.702854      0.365983      1.909127
  C      -5.052536      1.119306      0.700939
  O      -5.292826      0.615104     -0.393649
  C      -5.028937      2.653538      0.661619
  O      -4.001379      3.271562      0.521845
  C      -6.435098      3.297789      0.665394
  O      -7.422973      2.690324      0.953833
  Cl     -6.415653      5.027893      0.272577
  C      -4.510117     -1.023440      1.807557
  C      -7.667666     -5.087174      3.960888
  C      -8.597004     -6.007570      4.474783
  C      -9.557801     -5.566138      5.389123
  C      -9.523665     -4.247458      5.847307
  F     -10.324176     -3.900890      6.880156
  C      -8.639842     -3.309060      5.311490
  C      -8.254627     -1.982492      5.940374
  O      -9.031352     -1.032982      6.052587
  C      -6.859999     -1.966888      6.357188
  O      -6.161150     -3.243330      6.441870
  C      -6.223731     -0.870726      6.968930
  O      -6.567748      0.271003      7.109947
  Cl     -4.481131     -1.339118      7.673927
  C      -7.837012     -3.729513      4.257364
  C      -3.374475     -5.700633      6.509457
  C      -2.108473     -5.556436      7.113615
  C      -1.983224     -5.458171      8.496646
  C      -3.126827     -5.516380      9.281549
  F      -3.000807     -5.385151     10.622758
  C      -4.398632     -5.697293      8.722005
  C      -5.632023     -5.775313      9.523353
  O      -6.760928     -5.831077      9.051755
  C      -5.586472     -5.943822     11.049352
  O      -5.409377     -7.019576     11.567042
  C      -5.911343     -4.646238     11.827630
  O      -5.922770     -3.570063     11.308787
  Cl     -6.181060     -4.917842     13.559484
  C      -4.500518     -5.795012      7.327401
  H      -3.779239     -1.709000      5.059798
  H      -4.179342      0.720448      5.271252
  H      -4.640921     -1.465905      0.820536
  H      -8.522854     -7.070992      4.242450
  H     -10.266780     -6.264129      5.835598
  H      -7.180675     -3.000917      3.779612
  H      -1.214359     -5.482138      6.493528
  H      -1.012108     -5.314880      8.970161
  H      -5.491521     -5.946655      6.897298
  N      -5.489971     -3.654344      5.407150
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646710249292
  N      -4.034609     -3.191949      2.838746
  C      -3.646645     -3.688414      1.509000
  C      -3.049606     -5.075375      1.639257
  N      -3.955164     -5.936318      2.447078
  C      -5.112199     -6.433720      1.650670
  C      -6.301507     -6.638102      2.573786
  N      -6.421239     -5.437318      3.402665
  Mo     -4.764031     -4.565876      4.095412
  N      -3.507888     -5.729623      5.105388
  C      -2.522642     -6.514176      4.347153
  C      -3.220406     -7.047082      3.108427
  H      -2.162050     -7.357445      4.956636
  H      -1.640568     -5.906132      4.080304
  H      -3.962173     -7.797555      3.412826
  H      -2.514962     -7.516187      2.402481
  H      -7.214887     -6.778768      1.974707
  H      -6.175565     -7.542256      3.196198
  H      -5.363823     -5.662401      0.911567
  H      -4.836484     -7.355414      1.112521
  H      -2.896112     -3.013963      1.066176
  H      -4.513261     -3.697584      0.822712
  H      -2.090929     -5.009483      2.171270
  H      -2.865365     -5.530410      0.651810
  C      -4.216971     -1.793172      2.930002
  C      -4.076633     -1.140157      4.174383
  C      -4.280775      0.226258      4.304660
  C      -4.597367      0.968228      3.174175
  F      -4.814399      2.296980      3.305665
  C      -4.703306      0.372886      1.911600
  C      -5.030871      1.125977      0.696167
  O      -5.276841      0.622825     -0.396292
  C      -4.996118      2.659951      0.674575
  O      -3.969667      3.276581      0.524365
  C      -6.402835      3.309422      0.673784
  O      -7.398875      2.700803      0.932278
  Cl     -6.368328      5.045433      0.313752
  C      -4.518212     -1.018372      1.807493
  C      -7.670818     -5.093088      3.956734
  C      -8.609306     -6.012684      4.456631
  C      -9.578721     -5.571105      5.360806
  C      -9.549805     -4.253316      5.821417
  F     -10.363574     -3.908294      6.843945
  C      -8.658351     -3.315140      5.298244
  C      -8.275108     -1.994476      5.937931
  O      -9.054236     -1.050269      6.073283
  C      -6.883077     -1.983077      6.364235
  O      -6.173719     -3.255850      6.443538
  C      -6.253584     -0.885281      6.982260
  O      -6.602110      0.254939      7.123330
  Cl     -4.501297     -1.340541      7.671507
  C      -7.841980     -3.736008      4.255668
  C      -3.356811     -5.706698      6.511357
  C      -2.086887     -5.589126      7.113068
  C      -1.956168     -5.501061      8.496508
  C      -3.098089     -5.541997      9.284750
  F      -2.965798     -5.418103     10.625622
  C      -4.374666     -5.698524      8.727264
  C      -5.606038     -5.763926      9.532155
  O      -6.740287     -5.739101      9.068901
  C      -5.565990     -5.913539     11.059492
  O      -5.421915     -6.989659     11.586885
  C      -5.896561     -4.609952     11.822689
  O      -5.869195     -3.535418     11.300492
  Cl     -6.238258     -4.870231     13.542977
  C      -4.482302     -5.785572      7.332872
  H      -3.801513     -1.710147      5.062127
  H      -4.197539      0.714770      5.275559
  H      -4.640503     -1.453088      0.816044
  H      -8.532985     -7.075980      4.225943
  H     -10.294275     -6.268162      5.798080
  H      -7.179676     -3.004791      3.790519
  H      -1.192566     -5.527641      6.491988
  H      -0.981078     -5.377778      8.967485
  H      -5.476495     -5.921166      6.905394
  N      -5.500257     -3.664596      5.409858
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646718335118
  N      -4.034604     -3.192161      2.838624
  C      -3.646636     -3.688623      1.508967
  C      -3.049641     -5.075644      1.639391
  N      -3.955150     -5.936544      2.447042
  C      -5.112190     -6.434033      1.650700
  C      -6.301486     -6.638361      2.573853
  N      -6.421246     -5.437501      3.402620
  Mo     -4.764053     -4.566024      4.095334
  N      -3.507849     -5.729674      5.105366
  C      -2.522600     -6.514297      4.347308
  C      -3.220242     -7.047289      3.108788
  H      -2.162248     -7.357608      4.956957
  H      -1.640648     -5.906250      4.080539
  H      -3.961933     -7.797785      3.413436
  H      -2.514871     -7.516475      2.402805
  H      -7.214816     -6.779086      1.974717
  H      -6.175484     -7.542481      3.196319
  H      -5.363750     -5.662790      0.911572
  H      -4.836462     -7.355665      1.112678
  H      -2.895879     -3.013983      1.066114
  H      -4.512774     -3.698016      0.822486
  H      -2.091185     -5.009908      2.171243
  H      -2.865149     -5.530719      0.651588
  C      -4.217039     -1.793368      2.929912
  C      -4.076711     -1.140336      4.174391
  C      -4.280945      0.226180      4.304670
  C      -4.597511      0.967994      3.174128
  F      -4.814776      2.296917      3.304994
  C      -4.703392      0.372852      1.911468
  C      -5.030965      1.126253      0.696257
  O      -5.277028      0.623359     -0.396414
  C      -4.996281      2.660239      0.675107
  O      -3.969715      3.276741      0.525104
  C      -6.402685      3.310331      0.674778
  O      -7.398820      2.702261      0.933040
  Cl     -6.367422      5.046648      0.315394
  C      -4.518259     -1.018475      1.807233
  C      -7.670803     -5.093279      3.956658
  C      -8.609351     -6.012797      4.456538
  C      -9.578890     -5.571122      5.360533
  C      -9.549982     -4.253376      5.821258
  F     -10.363738     -3.908690      6.843896
  C      -8.658466     -3.315275      5.298153
  C      -8.275061     -1.994518      5.937868
  O      -9.054713     -1.050498      6.072825
  C      -6.882887     -1.983226      6.364123
  O      -6.173657     -3.255814      6.443514
  C      -6.253461     -0.885693      6.981869
  O      -6.602422      0.254341      7.123707
  Cl     -4.501233     -1.340874      7.671192
  C      -7.842029     -3.736197      4.255531
  C      -3.356827     -5.706640      6.511264
  C      -2.086968     -5.589012      7.112924
  C      -1.956234     -5.500822      8.496360
  C      -3.098184     -5.541745      9.284580
  F      -2.966237     -5.417633     10.625608
  C      -4.374722     -5.698295      8.727135
  C      -5.606056     -5.763574      9.531977
  O      -6.740405     -5.740244      9.069937
  C      -5.565618     -5.912589     11.058389
  O      -5.421029     -6.989387     11.587057
  C      -5.896470     -4.608575     11.822367
  O      -5.870132     -3.534075     11.299859
  Cl     -6.236802     -4.869712     13.542858
  C      -4.482351     -5.785449      7.332765
  H      -3.801549     -1.710539      5.061969
  H      -4.197750      0.714649      5.275669
  H      -4.640504     -1.452984      0.815631
  H      -8.533051     -7.076109      4.225925
  H     -10.294611     -6.268083      5.797685
  H      -7.179714     -3.004991      3.790369
  H      -1.192630     -5.527687      6.491848
  H      -0.981055     -5.377964      8.967510
  H      -5.476566     -5.921199      6.905250
  N      -5.500249     -3.664584      5.409847
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646730244383
  N      -4.034551     -3.192498      2.838346
  C      -3.646569     -3.688972      1.508753
  C      -3.049686     -5.076113      1.639552
  N      -3.955082     -5.936929      2.446920
  C      -5.112138     -6.434591      1.650705
  C      -6.301393     -6.638826      2.573924
  N      -6.421209     -5.437815      3.402478
  Mo     -4.764041     -4.566263      4.095117
  N      -3.507722     -5.729735      5.105242
  C      -2.522432     -6.514545      4.347489
  C      -3.220013     -7.047530      3.109204
  H      -2.162375     -7.357857      4.957395
  H      -1.640521     -5.906635      4.080745
  H      -3.961735     -7.797953      3.414162
  H      -2.514731     -7.516896      2.403238
  H      -7.214643     -6.779665      1.974707
  H      -6.175283     -7.542848      3.196487
  H      -5.363629     -5.663460      0.911512
  H      -4.836270     -7.356457      1.112692
  H      -2.896362     -3.014775      1.066361
  H      -4.512333     -3.698764      0.821532
  H      -2.091385     -5.010563      2.171227
  H      -2.864843     -5.531152      0.651410
  C      -4.217114     -1.793682      2.929686
  C      -4.076799     -1.140619      4.174324
  C      -4.281209      0.226111      4.304572
  C      -4.597732      0.967607      3.173906
  F      -4.815434      2.296888      3.303479
  C      -4.703520      0.372873      1.911076
  C      -5.031133      1.126872      0.696294
  O      -5.277368      0.624471     -0.396742
  C      -4.996568      2.660874      0.675959
  O      -3.969769      3.277130      0.526359
  C      -6.402448      3.312003      0.676531
  O      -7.398775      2.704916      0.934371
  Cl     -6.365852      5.048955      0.318237
  C      -4.518311     -1.018590      1.806661
  C      -7.670719     -5.093611      3.956463
  C      -8.609369     -6.012996      4.456315
  C      -9.579118     -5.571159      5.360003
  C      -9.550217     -4.253493      5.820942
  F     -10.363967     -3.909370      6.843751
  C      -8.658618     -3.315513      5.297951
  C      -8.274915     -1.994568      5.937711
  O      -9.055485     -1.050967      6.071921
  C      -6.882443     -1.983485      6.363835
  O      -6.173471     -3.255701      6.443385
  C      -6.253036     -0.886317      6.981117
  O      -6.602939      0.253232      7.124846
  Cl     -4.500904     -1.341395      7.670442
  C      -7.842068     -3.736530      4.255223
  C      -3.356832     -5.706508      6.511024
  C      -2.087124     -5.588779      7.112600
  C      -1.956386     -5.500402      8.496042
  C      -3.098434     -5.541280      9.284193
  F      -2.967256     -5.416736     10.625494
  C      -4.374791     -5.697895      8.726870
  C      -5.606141     -5.762901      9.531661
  O      -6.740623     -5.742950      9.071450
  C      -5.565052     -5.910864     11.058377
  O      -5.419772     -6.986634     11.588123
  C      -5.896424     -4.607093     11.822628
  O      -5.872140     -3.532931     11.299760
  Cl     -6.234437     -4.869243     13.543426
  C      -4.482396     -5.785209      7.332534
  H      -3.801551     -1.711286      5.061532
  H      -4.198042      0.714442      5.275886
  H      -4.640464     -1.452789      0.814774
  H      -8.533090     -7.076336      4.225847
  H     -10.295090     -6.267964      5.796985
  H      -7.179739     -3.005334      3.790033
  H      -1.192748     -5.527752      6.491536
  H      -0.981203     -5.378494      8.967528
  H      -5.476702     -5.921205      6.905089
  N      -5.500169     -3.664530      5.409744
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646738785959
  N      -4.034484     -3.192678      2.838232
  C      -3.646542     -3.689218      1.508463
  C      -3.049785     -5.076447      1.639612
  N      -3.955026     -5.937227      2.446921
  C      -5.112152     -6.434993      1.650835
  C      -6.301305     -6.639172      2.574107
  N      -6.421146     -5.438040      3.402517
  Mo     -4.763963     -4.566422      4.095016
  N      -3.507597     -5.729806      5.105184
  C      -2.522246     -6.514873      4.347563
  C      -3.220192     -7.047497      3.109030
  H      -2.162046     -7.358022      4.957526
  H      -1.639886     -5.907356      4.080566
  H      -3.962355     -7.797559      3.413777
  H      -2.514846     -7.517080      2.403280
  H      -7.214566     -6.780111      1.974936
  H      -6.175101     -7.543154      3.196818
  H      -5.363782     -5.663940      0.911645
  H      -4.836420     -7.356320      1.113206
  H      -2.895140     -3.013749      1.065337
  H      -4.510994     -3.699322      0.821441
  H      -2.091794     -5.010800      2.171051
  H      -2.864713     -5.531284      0.651543
  C      -4.217088     -1.793848      2.929546
  C      -4.076722     -1.140687      4.174260
  C      -4.281284      0.226281      4.304243
  C      -4.597799      0.967493      3.173450
  F      -4.815760      2.297119      3.301888
  C      -4.703590      0.373068      1.910510
  C      -5.031311      1.127452      0.696014
  O      -5.277747      0.625337     -0.397163
  C      -4.996820      2.661447      0.676090
  O      -3.969834      3.277500      0.526736
  C      -6.402512      3.312941      0.677421
  O      -7.398986      2.706445      0.935060
  Cl     -6.365236      5.050382      0.319483
  C      -4.518330     -1.018568      1.806198
  C      -7.670585     -5.093859      3.956478
  C      -8.609265     -6.013182      4.456337
  C      -9.579049     -5.571280      5.359947
  C      -9.550172     -4.253635      5.820947
  F     -10.364031     -3.909651      6.843695
  C      -8.658605     -3.315696      5.297948
  C      -8.274784     -1.994560      5.937641
  O      -9.055790     -1.051336      6.071354
  C      -6.882120     -1.983573      6.363630
  O      -6.173302     -3.255564      6.443322
  C      -6.252537     -0.886343      6.980708
  O      -6.603607      0.252475      7.126705
  Cl     -4.500167     -1.341314      7.669362
  C      -7.842022     -3.736764      4.255157
  C      -3.356891     -5.706502      6.510890
  C      -2.087366     -5.588754      7.112431
  C      -1.956676     -5.500439      8.495907
  C      -3.098874     -5.541139      9.283948
  F      -2.968295     -5.416424     10.625395
  C      -4.374885     -5.697898      8.726776
  C      -5.606206     -5.762588      9.531438
  O      -6.741072     -5.746323      9.072410
  C      -5.564641     -5.909673     11.058804
  O      -5.418704     -6.984640     11.588685
  C      -5.896783     -4.606360     11.822990
  O      -5.874030     -3.532140     11.301032
  Cl     -6.233681     -4.869011     13.543974
  C      -4.482427     -5.785166      7.332456
  H      -3.801411     -1.711744      5.061151
  H      -4.198029      0.714310      5.275973
  H      -4.640439     -1.452789      0.814191
  H      -8.532964     -7.076545      4.225976
  H     -10.294981     -6.268053      5.797039
  H      -7.179709     -3.005559      3.789931
  H      -1.192962     -5.527934      6.491375
  H      -0.981748     -5.379639      8.967661
  H      -5.476888     -5.921092      6.905261
  N      -5.500055     -3.664492      5.409688
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646750506887
  N      -4.034354     -3.192719      2.838242
  C      -3.646348     -3.689221      1.508136
  C      -3.049768     -5.076497      1.639721
  N      -3.954891     -5.937400      2.447020
  C      -5.112082     -6.435229      1.651014
  C      -6.301158     -6.639395      2.574262
  N      -6.421015     -5.438165      3.402570
  Mo     -4.763822     -4.566486      4.094974
  N      -3.507442     -5.729824      5.105195
  C      -2.522014     -6.515173      4.347641
  C      -3.220405     -7.047298      3.108610
  H      -2.161509     -7.358018      4.957665
  H      -1.639013     -5.908011      4.080386
  H      -3.963205     -7.796844      3.412862
  H      -2.514972     -7.517163      2.403144
  H      -7.214531     -6.780346      1.975303
  H      -6.174928     -7.543241      3.197103
  H      -5.363981     -5.664155      0.911797
  H      -4.836144     -7.357088      1.112953
  H      -2.896751     -3.014943      1.065886
  H      -4.511280     -3.699531      0.820211
  H      -2.091285     -5.010559      2.171340
  H      -2.864762     -5.531076      0.652289
  C      -4.216958     -1.793886      2.929497
  C      -4.076573     -1.140646      4.174232
  C      -4.281292      0.226580      4.303767
  C      -4.597767      0.967493      3.172844
  F      -4.815816      2.297508      3.300373
  C      -4.703602      0.373412      1.909776
  C      -5.031496      1.128143      0.695542
  O      -5.278133      0.626286     -0.397621
  C      -4.997080      2.662112      0.675834
  O      -3.969838      3.277858      0.526671
  C      -6.402613      3.313950      0.677939
  O      -7.399437      2.707984      0.935538
  Cl     -6.364623      5.051795      0.319818
  C      -4.518265     -1.018371      1.805800
  C      -7.670419     -5.094009      3.956494
  C      -8.609073     -6.013366      4.456355
  C      -9.578774     -5.571491      5.360069
  C      -9.549880     -4.253819      5.821022
  F     -10.363801     -3.909545      6.843621
  C      -8.658446     -3.315855      5.297911
  C      -8.274677     -1.994535      5.937484
  O      -9.055600     -1.051578      6.070906
  C      -6.881868     -1.983448      6.363314
  O      -6.173156     -3.255302      6.443201
  C      -6.251886     -0.885782      6.980362
  O      -6.604382      0.252022      7.129535
  Cl     -4.499095     -1.341222      7.667749
  C      -7.841897     -3.736919      4.255106
  C      -3.356929     -5.706551      6.510833
  C      -2.087561     -5.588770      7.112376
  C      -1.956943     -5.500733      8.495910
  C      -3.099315     -5.541154      9.283839
  F      -2.968984     -5.416370     10.625284
  C      -4.374840     -5.698272      8.726863
  C      -5.606037     -5.762574      9.531296
  O      -6.741595     -5.751510      9.073015
  C      -5.564044     -5.908582     11.059240
  O      -5.417122     -6.983454     11.588835
  C      -5.897647     -4.605640     11.823078
  O      -5.876465     -3.530868     11.303270
  Cl     -6.234339     -4.868254     13.544348
  C      -4.482294     -5.785312      7.332551
  H      -3.801290     -1.712032      5.060894
  H      -4.197914      0.714003      5.275984
  H      -4.640265     -1.453029      0.813874
  H      -8.532691     -7.076741      4.226054
  H     -10.294414     -6.268357      5.797482
  H      -7.179623     -3.005678      3.789878
  H      -1.193155     -5.528070      6.491302
  H      -0.982395     -5.381294      8.967915
  H      -5.476968     -5.920898      6.905787
  N      -5.499917     -3.664427      5.409579
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646759629641
  N      -4.034403     -3.192654      2.838303
  C      -3.646317     -3.689020      1.508136
  C      -3.049735     -5.076238      1.639691
  N      -3.954927     -5.937296      2.447013
  C      -5.112117     -6.435034      1.650948
  C      -6.301249     -6.639244      2.574121
  N      -6.421083     -5.438075      3.402512
  Mo     -4.763890     -4.566446      4.094986
  N      -3.507544     -5.729873      5.105161
  C      -2.522158     -6.515117      4.347566
  C      -3.220403     -7.047370      3.108485
  H      -2.161577     -7.357917      4.957642
  H      -1.639247     -5.907824      4.080461
  H      -3.963182     -7.796902      3.412619
  H      -2.514948     -7.517214      2.403003
  H      -7.214714     -6.780154      1.975312
  H      -6.175072     -7.543115      3.196972
  H      -5.364133     -5.663963      0.911744
  H      -4.836195     -7.356755      1.112822
  H      -2.896639     -3.014409      1.065662
  H      -4.511313     -3.699284      0.820428
  H      -2.091166     -5.010203      2.171362
  H      -2.864800     -5.531055      0.652168
  C      -4.216964     -1.793817      2.929565
  C      -4.076596     -1.140615      4.174319
  C      -4.281280      0.226505      4.303749
  C      -4.597739      0.967436      3.172817
  F      -4.815465      2.297390      3.301118
  C      -4.703623      0.373347      1.909719
  C      -5.031615      1.128017      0.695458
  O      -5.278215      0.626094     -0.397542
  C      -4.997195      2.661969      0.675478
  O      -3.969844      3.277509      0.526235
  C      -6.402651      3.314009      0.677562
  O      -7.399833      2.708127      0.935372
  Cl     -6.364346      5.051507      0.318799
  C      -4.518261     -1.018324      1.806001
  C      -7.670547     -5.093899      3.956453
  C      -8.609149     -6.013345      4.456325
  C      -9.578709     -5.571540      5.360237
  C      -9.549746     -4.253811      5.821068
  F     -10.363624     -3.909207      6.843620
  C      -8.658374     -3.315833      5.297807
  C      -8.274801     -1.994559      5.937347
  O      -9.055187     -1.051337      6.071007
  C      -6.882088     -1.983163      6.363204
  O      -6.173342     -3.255168      6.443171
  C      -6.251924     -0.885247      6.980360
  O      -6.604683      0.252362      7.130145
  Cl     -4.498805     -1.341486      7.667006
  C      -7.841919     -3.736831      4.255104
  C      -3.356945     -5.706707      6.510922
  C      -2.087435     -5.588865      7.112465
  C      -1.956772     -5.501014      8.496010
  C      -3.099081     -5.541257      9.284039
  F      -2.967790     -5.416488     10.625227
  C      -4.374607     -5.698719      8.727104
  C      -5.605721     -5.762867      9.531497
  O      -6.741458     -5.753626      9.072554
  C      -5.563793     -5.908625     11.059722
  O      -5.416580     -6.983736     11.588982
  C      -5.898210     -4.605688     11.822810
  O      -5.876695     -3.530430     11.303844
  Cl     -6.236388     -4.867604     13.544336
  C      -4.482086     -5.785604      7.332770
  H      -3.801426     -1.711841      5.061150
  H      -4.197890      0.713566      5.275855
  H      -4.640168     -1.453443      0.814369
  H      -8.532733     -7.076711      4.225956
  H     -10.294121     -6.268508      5.797867
  H      -7.179663     -3.005558      3.789933
  H      -1.193104     -5.528019      6.491306
  H      -0.981990     -5.381537      8.967977
  H      -5.476809     -5.920791      6.906115
  N      -5.500048     -3.664437      5.409524
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646775998108
  N      -4.034520     -3.192416      2.838446
  C      -3.646283     -3.688419      1.508199
  C      -3.049711     -5.075528      1.639618
  N      -3.955056     -5.936956      2.446881
  C      -5.112259     -6.434465      1.650679
  C      -6.301503     -6.638799      2.573665
  N      -6.421304     -5.437770      3.402257
  Mo     -4.764108     -4.566299      4.094937
  N      -3.507877     -5.729989      5.104982
  C      -2.522627     -6.514906      4.347330
  C      -3.220410     -7.047588      3.108171
  H      -2.161921     -7.357704      4.957430
  H      -1.640016     -5.907296      4.080672
  H      -3.963049     -7.797128      3.412094
  H      -2.514910     -7.517345      2.402695
  H      -7.215155     -6.779657      1.975163
  H      -6.175435     -7.542735      3.196524
  H      -5.364598     -5.663423      0.911542
  H      -4.836323     -7.355933      1.112385
  H      -2.896528     -3.013056      1.065317
  H      -4.511337     -3.698745      0.820703
  H      -2.091118     -5.009246      2.171382
  H      -2.864750     -5.530873      0.651891
  C      -4.216973     -1.793577      2.929774
  C      -4.076635     -1.140492      4.174643
  C      -4.281251      0.226433      4.303877
  C      -4.597636      0.967393      3.172821
  F      -4.814499      2.297074      3.303009
  C      -4.703530      0.373190      1.909672
  C      -5.031750      1.127665      0.695314
  O      -5.278338      0.625340     -0.397316
  C      -4.997374      2.661603      0.674487
  O      -3.969732      3.276566      0.525117
  C      -6.402721      3.313909      0.676691
  O      -7.400624      2.708494      0.934920
  Cl     -6.363633      5.050303      0.316208
  C      -4.518135     -1.018209      1.806751
  C      -7.670910     -5.093552      3.956244
  C      -8.609428     -6.013180      4.456104
  C      -9.578696     -5.571511      5.360409
  C      -9.549568     -4.253672      5.821017
  F     -10.363399     -3.908589      6.843466
  C      -8.658290     -3.315718      5.297446
  C      -8.275124     -1.994482      5.936914
  O      -9.054827     -1.050731      6.070745
  C      -6.882536     -1.982492      6.362861
  O      -6.173894     -3.254725      6.443104
  C      -6.251983     -0.884313      6.980097
  O      -6.605287      0.252704      7.131410
  Cl     -4.498405     -1.342032      7.665390
  C      -7.842013     -3.736553      4.255010
  C      -3.357030     -5.707174      6.511147
  C      -2.087111     -5.589139      7.112648
  C      -1.956296     -5.501795      8.496228
  C      -3.098415     -5.541510      9.284555
  F      -2.964577     -5.416644     10.625149
  C      -4.373996     -5.699986      8.727767
  C      -5.604910     -5.763535      9.532097
  O      -6.741023     -5.760702      9.072626
  C      -5.562746     -5.908308     11.061023
  O      -5.414472     -6.983468     11.590541
  C      -5.899562     -4.605511     11.822367
  O      -5.877281     -3.529247     11.304690
  Cl     -6.241205     -4.866731     13.544495
  C      -4.481585     -5.786409      7.333375
  H      -3.801741     -1.711246      5.061871
  H      -4.197862      0.712671      5.275788
  H      -4.639785     -1.454459      0.815859
  H      -8.532942     -7.076526      4.225577
  H     -10.293630     -6.268675      5.798512
  H      -7.179794     -3.005177      3.790006
  H      -1.193017     -5.527858      6.491214
  H      -0.980953     -5.382027      8.968017
  H      -5.476485     -5.920358      6.906859
  N      -5.500445     -3.664339      5.409392
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646783453479
  N      -4.034576     -3.192234      2.838557
  C      -3.646276     -3.688055      1.508332
  C      -3.049693     -5.075105      1.639594
  N      -3.955145     -5.936702      2.446794
  C      -5.112349     -6.434078      1.650498
  C      -6.301658     -6.638486      2.573364
  N      -6.421452     -5.437541      3.402080
  Mo     -4.764261     -4.566177      4.094917
  N      -3.508136     -5.730038      5.104903
  C      -2.522941     -6.514747      4.347151
  C      -3.220453     -7.047656      3.107990
  H      -2.162154     -7.357634      4.957138
  H      -1.640535     -5.906970      4.080761
  H      -3.962952     -7.797268      3.411862
  H      -2.514979     -7.517257      2.402423
  H      -7.215375     -6.779347      1.974991
  H      -6.175654     -7.542463      3.196211
  H      -5.364863     -5.663070      0.911395
  H      -4.836366     -7.355482      1.112099
  H      -2.896607     -3.012398      1.065319
  H      -4.511442     -3.698462      0.820854
  H      -2.091192     -5.008674      2.171392
  H      -2.864698     -5.530727      0.651895
  C      -4.216966     -1.793402      2.929932
  C      -4.076662     -1.140371      4.174875
  C      -4.281254      0.226527      4.304024
  C      -4.597575      0.967487      3.172841
  F      -4.813957      2.296964      3.303828
  C      -4.703392      0.373119      1.909714
  C      -5.031719      1.127431      0.695260
  O      -5.278281      0.624691     -0.397222
  C      -4.997367      2.661380      0.673825
  O      -3.969570      3.276026      0.524418
  C      -6.402689      3.313717      0.676051
  O      -7.400759      2.708567      0.934458
  Cl     -6.363315      5.049513      0.314479
  C      -4.518003     -1.018127      1.807261
  C      -7.671147     -5.093298      3.956081
  C      -8.609649     -6.013015      4.455899
  C      -9.578783     -5.571406      5.360381
  C      -9.549566     -4.253515      5.820881
  F     -10.363394     -3.908224      6.843261
  C      -8.658307     -3.315590      5.297189
  C      -8.275352     -1.994351      5.936619
  O      -9.054873     -1.050311      6.070410
  C      -6.882815     -1.982109      6.362657
  O      -6.174293     -3.254435      6.443088
  C      -6.252166     -0.884036      6.979826
  O      -6.605408      0.252765      7.131349
  Cl     -4.498771     -1.341975      7.664843
  C      -7.842091     -3.736346      4.254910
  C      -3.357105     -5.707492      6.511312
  C      -2.086913     -5.589323      7.112763
  C      -1.955977     -5.502313      8.496364
  C      -3.097979     -5.541726      9.284880
  F      -2.963060     -5.416862     10.625285
  C      -4.373600     -5.700862      8.728261
  C      -5.604387     -5.764011      9.532632
  O      -6.740569     -5.765378      9.073553
  C      -5.561846     -5.908179     11.061901
  O      -5.412856     -6.982903     11.592258
  C      -5.900116     -4.605522     11.822385
  O      -5.877107     -3.529059     11.304708
  Cl     -6.243635     -4.867094     13.544412
  C      -4.481330     -5.786960      7.333843
  H      -3.801929     -1.710695      5.062421
  H      -4.197943      0.712717      5.275880
  H      -4.639497     -1.455021      0.816713
  H      -8.533134     -7.076345      4.225279
  H     -10.293486     -6.268664      5.798714
  H      -7.179882     -3.004903      3.790027
  H      -1.192995     -5.527700      6.491106
  H      -0.980527     -5.382096      8.967916
  H      -5.476363     -5.920062      6.907338
  N      -5.500733     -3.664231      5.409349
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646792050563
  N      -4.034637     -3.191999      2.838758
  C      -3.646250     -3.687651      1.508653
  C      -3.049618     -5.074614      1.639623
  N      -3.955280     -5.936350      2.446744
  C      -5.112444     -6.433568      1.650280
  C      -6.301861     -6.638062      2.572980
  N      -6.421648     -5.437228      3.401853
  Mo     -4.764493     -4.566003      4.094962
  N      -3.508542     -5.730069      5.104935
  C      -2.523335     -6.514542      4.346889
  C      -3.220556     -7.047612      3.107819
  H      -2.162435     -7.357649      4.956562
  H      -1.641196     -5.906603      4.080771
  H      -3.962820     -7.797438      3.411747
  H      -2.515224     -7.516862      2.401937
  H      -7.215598     -6.778914      1.974686
  H      -6.175971     -7.542095      3.195782
  H      -5.365059     -5.662602      0.911192
  H      -4.836374     -7.354943      1.111745
  H      -2.896767     -3.011813      1.065595
  H      -4.511737     -3.698073      0.821264
  H      -2.091254     -5.008054      2.171463
  H      -2.864716     -5.530565      0.652165
  C      -4.216955     -1.793179      2.930183
  C      -4.076753     -1.140192      4.175139
  C      -4.281326      0.226721      4.304228
  C      -4.597552      0.967687      3.172864
  F      -4.813462      2.296956      3.304164
  C      -4.703183      0.373042      1.909822
  C      -5.031582      1.127123      0.695222
  O      -5.277974      0.623756     -0.397179
  C      -4.997198      2.661097      0.672987
  O      -3.969256      3.275459      0.523587
  C      -6.402507      3.313410      0.674982
  O      -7.400369      2.708309      0.933524
  Cl     -6.363164      5.048772      0.312069
  C      -4.517832     -1.017992      1.807809
  C      -7.671491     -5.092935      3.955845
  C      -8.610012     -6.012754      4.455564
  C      -9.579043     -5.571207      5.360203
  C      -9.549699     -4.253261      5.820598
  F     -10.363433     -3.907665      6.842956
  C      -8.658422     -3.315371      5.296852
  C      -8.275699     -1.994144      5.936297
  O      -9.054918     -1.049635      6.070116
  C      -6.883235     -1.981693      6.362488
  O      -6.174863     -3.254126      6.443113
  C      -6.252608     -0.883957      6.979552
  O      -6.604888      0.252823      7.129984
  Cl     -4.500568     -1.341375      7.664883
  C      -7.842231     -3.736060      4.254733
  C      -3.357220     -5.707919      6.511593
  C      -2.086626     -5.589552      7.112964
  C      -1.955495     -5.502952      8.496580
  C      -3.097343     -5.542121      9.285334
  F      -2.961972     -5.417374     10.625762
  C      -4.373061     -5.702052      8.729011
  C      -5.603671     -5.764783      9.533565
  O      -6.739792     -5.770745      9.075497
  C      -5.560496     -5.908399     11.063003
  O      -5.410665     -6.982239     11.594896
  C      -5.900360     -4.605879     11.822749
  O      -5.876075     -3.529716     11.304254
  Cl     -6.245844     -4.868511     13.543924
  C      -4.481077     -5.787727      7.334580
  H      -3.802220     -1.709812      5.063202
  H      -4.198243      0.713583      5.275966
  H      -4.639119     -1.455619      0.817510
  H      -8.533477     -7.076055      4.224813
  H     -10.293542     -6.268565      5.798707
  H      -7.180008     -3.004536      3.790030
  H      -1.192979     -5.527390      6.490969
  H      -0.980116     -5.381634      8.967708
  H      -5.476260     -5.919783      6.907985
  N      -5.501150     -3.664100      5.409363
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646796481161
  N      -4.034601     -3.192044      2.838773
  C      -3.646285     -3.687798      1.508808
  C      -3.049606     -5.074772      1.639659
  N      -3.955269     -5.936354      2.446803
  C      -5.112414     -6.433599      1.650331
  C      -6.301822     -6.638076      2.573055
  N      -6.421613     -5.437244      3.401929
  Mo     -4.764467     -4.566007      4.095040
  N      -3.508555     -5.730060      5.105072
  C      -2.523287     -6.514557      4.346867
  C      -3.220606     -7.047480      3.107901
  H      -2.162404     -7.357791      4.956356
  H      -1.641168     -5.906656      4.080654
  H      -3.962797     -7.797439      3.411977
  H      -2.515361     -7.516601      2.401851
  H      -7.215475     -6.778973      1.974648
  H      -6.175919     -7.542120      3.195813
  H      -5.364918     -5.662642      0.911209
  H      -4.836327     -7.355046      1.111872
  H      -2.896818     -3.012169      1.065825
  H      -4.511793     -3.698247      0.821375
  H      -2.091377     -5.008299      2.171449
  H      -2.864637     -5.530587      0.652136
  C      -4.216955     -1.793232      2.930204
  C      -4.076778     -1.140218      4.175087
  C      -4.281354      0.226701      4.304326
  C      -4.597607      0.967749      3.172999
  F      -4.813705      2.297028      3.303671
  C      -4.703146      0.373013      1.910022
  C      -5.031477      1.127063      0.695394
  O      -5.277743      0.623595     -0.397098
  C      -4.997039      2.661049      0.673185
  O      -3.969200      3.275606      0.523833
  C      -6.402448      3.313116      0.674940
  O      -7.399882      2.707637      0.933364
  Cl     -6.363661      5.048798      0.312339
  C      -4.517831     -1.018074      1.807771
  C      -7.671440     -5.092956      3.955910
  C      -8.610029     -6.012710      4.455589
  C      -9.579153     -5.571101      5.360099
  C      -9.549884     -4.253188      5.820569
  F     -10.363651     -3.907785      6.842962
  C      -8.658542     -3.315279      5.296979
  C      -8.275716     -1.994076      5.936434
  O      -9.055188     -1.049667      6.070152
  C      -6.883281     -1.981791      6.362681
  O      -6.174865     -3.254213      6.443242
  C      -6.252843     -0.884157      6.979734
  O      -6.604647      0.253707      7.128596
  Cl     -4.500732     -1.340517      7.666083
  C      -7.842225     -3.736066      4.254766
  C      -3.357202     -5.707916      6.511608
  C      -2.086629     -5.589547      7.112909
  C      -1.955439     -5.502903      8.496514
  C      -3.097266     -5.542247      9.285280
  F      -2.962774     -5.417650     10.625943
  C      -4.373043     -5.702011      8.729017
  C      -5.603657     -5.764881      9.533716
  O      -6.739437     -5.769047      9.075452
  C      -5.560592     -5.908950     11.062801
  O      -5.411054     -6.982649     11.594906
  C      -5.900000     -4.606165     11.822718
  O      -5.875115     -3.530529     11.303277
  Cl     -6.245267     -4.868882     13.543305
  C      -4.481157     -5.787695      7.334603
  H      -3.802168     -1.709707      5.063215
  H      -4.198353      0.714215      5.276044
  H      -4.639174     -1.455376      0.817210
  H      -8.533540     -7.076013      4.224857
  H     -10.293818     -6.268380      5.798455
  H      -7.179974     -3.004548      3.790070
  H      -1.193026     -5.527283      6.490861
  H      -0.980156     -5.380942      8.967513
  H      -5.476317     -5.919837      6.907939
  N      -5.501150     -3.664110      5.409504
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646800928345
  N      -4.034557     -3.191944      2.838992
  C      -3.646255     -3.687740      1.509171
  C      -3.049552     -5.074694      1.639803
  N      -3.955352     -5.936178      2.446930
  C      -5.112439     -6.433385      1.650332
  C      -6.301889     -6.637884      2.572975
  N      -6.421664     -5.437095      3.401920
  Mo     -4.764561     -4.565915      4.095220
  N      -3.508800     -5.730060      5.105338
  C      -2.523417     -6.514536      4.346742
  C      -3.220846     -7.047182      3.107812
  H      -2.162460     -7.357972      4.955862
  H      -1.641220     -5.906715      4.080422
  H      -3.963046     -7.797286      3.411916
  H      -2.515749     -7.516079      2.401471
  H      -7.215454     -6.778745      1.974484
  H      -6.176074     -7.541957      3.195680
  H      -5.364809     -5.662406      0.911190
  H      -4.836310     -7.354815      1.111856
  H      -2.896880     -3.012236      1.066314
  H      -4.511851     -3.698159      0.821751
  H      -2.091327     -5.008245      2.171643
  H      -2.864663     -5.530414      0.652508
  C      -4.216907     -1.793160      2.930438
  C      -4.076836     -1.140125      4.175110
  C      -4.281423      0.226807      4.304409
  C      -4.597663      0.967917      3.173022
  F      -4.813818      2.297276      3.302553
  C      -4.702992      0.373015      1.910138
  C      -5.031303      1.126984      0.695457
  O      -5.277255      0.623148     -0.397031
  C      -4.996727      2.660975      0.672881
  O      -3.968938      3.275672      0.523659
  C      -6.402359      3.312541      0.674229
  O      -7.399053      2.706234      0.932586
  Cl     -6.364646      5.048610      0.311265
  C      -4.517750     -1.018001      1.807862
  C      -7.671576     -5.092769      3.955868
  C      -8.610272     -6.012513      4.455421
  C      -9.579477     -5.570864      5.359846
  C      -9.550175     -4.252974      5.820387
  F     -10.363817     -3.907571      6.842883
  C      -8.658753     -3.315067      5.296983
  C      -8.275899     -1.993865      5.936551
  O      -9.055267     -1.049347      6.070219
  C      -6.883462     -1.981754      6.362904
  O      -6.175136     -3.254140      6.443449
  C      -6.253117     -0.884328      6.979993
  O      -6.603513      0.254693      7.126684
  Cl     -4.502015     -1.339591      7.667725
  C      -7.842291     -3.735920      4.254706
  C      -3.357274     -5.708186      6.511816
  C      -2.086490     -5.589675      7.112973
  C      -1.955102     -5.503219      8.496566
  C      -3.096805     -5.542698      9.285479
  F      -2.963254     -5.418244     10.626392
  C      -4.372728     -5.702708      8.729425
  C      -5.603239     -5.765468      9.534372
  O      -6.738932     -5.770595      9.076328
  C      -5.559942     -5.909685     11.063113
  O      -5.410149     -6.982935     11.595860
  C      -5.899883     -4.606695     11.822890
  O      -5.873990     -3.531656     11.302645
  Cl     -6.245828     -4.869770     13.542425
  C      -4.481102     -5.788123      7.335017
  H      -3.802216     -1.709303      5.063464
  H      -4.198610      0.715262      5.275893
  H      -4.639004     -1.455377      0.817163
  H      -8.533820     -7.075802      4.224633
  H     -10.294236     -6.268116      5.798088
  H      -7.179991     -3.004356      3.790139
  H      -1.193115     -5.526947      6.490653
  H      -0.979913     -5.379739      8.967207
  H      -5.476271     -5.919740      6.908163
  N      -5.501344     -3.664046      5.409722
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646802717514
  N      -4.034531     -3.191945      2.839113
  C      -3.646204     -3.687765      1.509361
  C      -3.049518     -5.074727      1.639948
  N      -3.955410     -5.936133      2.447031
  C      -5.112442     -6.433347      1.650352
  C      -6.301931     -6.637838      2.572952
  N      -6.421691     -5.437057      3.401912
  Mo     -4.764626     -4.565898      4.095337
  N      -3.508931     -5.730069      5.105526
  C      -2.523487     -6.514536      4.346764
  C      -3.220940     -7.047050      3.107906
  H      -2.162590     -7.358037      4.955818
  H      -1.641252     -5.906777      4.080369
  H      -3.963180     -7.797214      3.412042
  H      -2.515892     -7.515912      2.401481
  H      -7.215428     -6.778647      1.974374
  H      -6.176174     -7.541923      3.195629
  H      -5.364642     -5.662338      0.911174
  H      -4.836294     -7.354721      1.111890
  H      -2.896810     -3.012312      1.066583
  H      -4.511733     -3.698138      0.821953
  H      -2.091240     -5.008369      2.171810
  H      -2.864679     -5.530373      0.652633
  C      -4.216895     -1.793171      2.930570
  C      -4.076902     -1.140108      4.175121
  C      -4.281517      0.226841      4.304427
  C      -4.597747      0.967919      3.173017
  F      -4.813967      2.297429      3.301855
  C      -4.702963      0.372988      1.910142
  C      -5.031280      1.126991      0.695494
  O      -5.277004      0.623090     -0.396966
  C      -4.996606      2.660974      0.672827
  O      -3.968829      3.275741      0.523705
  C      -6.402298      3.312425      0.673972
  O      -7.398684      2.705545      0.932299
  Cl     -6.365129      5.048728      0.311026
  C      -4.517752     -1.017965      1.807776
  C      -7.671665     -5.092699      3.955831
  C      -8.610443     -6.012424      4.455299
  C      -9.579731     -5.570731      5.359632
  C      -9.550383     -4.252861      5.820237
  F     -10.363922     -3.907489      6.842839
  C      -8.658892     -3.314982      5.296952
  C      -8.275985     -1.993779      5.936642
  O      -9.055165     -1.049210      6.070299
  C      -6.883512     -1.981770      6.363049
  O      -6.175260     -3.254095      6.443572
  C      -6.253151     -0.884369      6.980202
  O      -6.602679      0.255215      7.125725
  Cl     -4.502647     -1.339499      7.668653
  C      -7.842346     -3.735878      4.254642
  C      -3.357319     -5.708306      6.511888
  C      -2.086427     -5.589682      7.112927
  C      -1.954897     -5.503288      8.496502
  C      -3.096498     -5.542913      9.285530
  F      -2.963346     -5.418448     10.626478
  C      -4.372541     -5.703018      8.729568
  C      -5.603000     -5.765733      9.534653
  O      -6.738826     -5.771312      9.076543
  C      -5.559622     -5.910034     11.063182
  O      -5.409650     -6.983233     11.595859
  C      -5.899851     -4.606942     11.822918
  O      -5.873747     -3.532003     11.302678
  Cl     -6.245951     -4.869851     13.542244
  C      -4.481055     -5.788308      7.335154
  H      -3.802272     -1.709267      5.063500
  H      -4.198789      0.715612      5.275689
  H      -4.638939     -1.455289      0.817033
  H      -8.534019     -7.075711      4.224488
  H     -10.294588     -6.267949      5.797765
  H      -7.180010     -3.004287      3.790160
  H      -1.193188     -5.526699      6.490445
  H      -0.979702     -5.378910      8.966918
  H      -5.476189     -5.919717      6.908182
  N      -5.501445     -3.664024      5.409855
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646804380197
  N      -4.034507     -3.191982      2.839234
  C      -3.646128     -3.687858      1.509534
  C      -3.049495     -5.074862      1.640159
  N      -3.955481     -5.936121      2.447167
  C      -5.112435     -6.433393      1.650407
  C      -6.301968     -6.637849      2.572977
  N      -6.421708     -5.437053      3.401922
  Mo     -4.764699     -4.565889      4.095472
  N      -3.509051     -5.730062      5.105759
  C      -2.523564     -6.514509      4.346900
  C      -3.221007     -7.046921      3.108179
  H      -2.162833     -7.358025      4.956032
  H      -1.641295     -5.906900      4.080385
  H      -3.963353     -7.797115      3.412359
  H      -2.515927     -7.515874      2.401827
  H      -7.215356     -6.778593      1.974220
  H      -6.176260     -7.541946      3.195616
  H      -5.364336     -5.662340      0.911164
  H      -4.836258     -7.354693      1.112007
  H      -2.896638     -3.012472      1.066841
  H      -4.511453     -3.698157      0.822101
  H      -2.091168     -5.008680      2.172011
  H      -2.864686     -5.530337      0.652686
  C      -4.216893     -1.793211      2.930703
  C      -4.076992     -1.140082      4.175162
  C      -4.281656      0.226914      4.304432
  C      -4.597871      0.967888      3.173012
  F      -4.814143      2.297624      3.301248
  C      -4.702969      0.372951      1.910105
  C      -5.031314      1.127029      0.695532
  O      -5.276773      0.623141     -0.396883
  C      -4.996522      2.661001      0.672836
  O      -3.968751      3.275823      0.523813
  C      -6.402241      3.312425      0.673803
  O      -7.398393      2.704898      0.932112
  Cl     -6.365591      5.048832      0.311144
  C      -4.517789     -1.017934      1.807589
  C      -7.671746     -5.092654      3.955801
  C      -8.610633     -6.012329      4.455161
  C      -9.580057     -5.570561      5.359336
  C      -9.550661     -4.252722      5.820035
  F     -10.364110     -3.907482      6.842771
  C      -8.659069     -3.314900      5.296900
  C      -8.276059     -1.993683      5.936754
  O      -9.055035     -1.049094      6.070349
  C      -6.883505     -1.981811      6.363222
  O      -6.175356     -3.254011      6.443712
  C      -6.253080     -0.884343      6.980464
  O      -6.601688      0.255695      7.124757
  Cl     -4.503177     -1.339715      7.669583
  C      -7.842419     -3.735853      4.254564
  C      -3.357374     -5.708370      6.511896
  C      -2.086404     -5.589603      7.112759
  C      -1.954697     -5.503257      8.496308
  C      -3.096149     -5.543134      9.285502
  F      -2.963194     -5.418599     10.626382
  C      -4.372345     -5.703252      8.729622
  C      -5.602756     -5.765957      9.534864
  O      -6.738777     -5.771785      9.076495
  C      -5.559362     -5.910415     11.063125
  O      -5.409172     -6.983766     11.595302
  C      -5.899849     -4.607225     11.822864
  O      -5.873875     -3.532150     11.302961
  Cl     -6.245805     -4.869610     13.542450
  C      -4.481006     -5.788416      7.335191
  H      -3.802352     -1.709373      5.063456
  H      -4.198972      0.715767      5.275479
  H      -4.638921     -1.455031      0.816810
  H      -8.534245     -7.075623      4.224350
  H     -10.295069     -6.267716      5.797312
  H      -7.180035     -3.004231      3.790181
  H      -1.193315     -5.526368      6.490094
  H      -0.979442     -5.377976      8.966438
  H      -5.476096     -5.919710      6.908128
  N      -5.501539     -3.663982      5.410009
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646805795069
  N      -4.034494     -3.192019      2.839275
  C      -3.646088     -3.687955      1.509577
  C      -3.049503     -5.075005      1.640285
  N      -3.955509     -5.936140      2.447257
  C      -5.112423     -6.433482      1.650479
  C      -6.301964     -6.637898      2.573058
  N      -6.421695     -5.437072      3.401968
  Mo     -4.764716     -4.565878      4.095542
  N      -3.509074     -5.730038      5.105891
  C      -2.523604     -6.514458      4.347066
  C      -3.221027     -7.046862      3.108425
  H      -2.163006     -7.357920      4.956358
  H      -1.641313     -5.906980      4.080470
  H      -3.963492     -7.797020      3.412607
  H      -2.515848     -7.515971      2.402264
  H      -7.215273     -6.778624      1.974141
  H      -6.176253     -7.541997      3.195669
  H      -5.364114     -5.662404      0.911192
  H      -4.836211     -7.354772      1.112150
  H      -2.896518     -3.012636      1.066907
  H      -4.511224     -3.698206      0.822077
  H      -2.091211     -5.008944      2.172087
  H      -2.864669     -5.530290      0.652643
  C      -4.216890     -1.793237      2.930744
  C      -4.077028     -1.140033      4.175220
  C      -4.281726      0.226992      4.304423
  C      -4.597935      0.967885      3.173015
  F      -4.814155      2.297730      3.301273
  C      -4.702987      0.372948      1.910060
  C      -5.031383      1.127061      0.695539
  O      -5.276726      0.623198     -0.396864
  C      -4.996528      2.661031      0.672833
  O      -3.968745      3.275825      0.523818
  C      -6.402232      3.312507      0.673780
  O      -7.398368      2.704761      0.932101
  Cl     -6.365710      5.048774      0.311474
  C      -4.517816     -1.017938      1.807466
  C      -7.671740     -5.092659      3.955824
  C      -8.610691     -6.012279      4.455125
  C      -9.580207     -5.570454      5.359187
  C      -9.550817     -4.252628      5.819930
  F     -10.364289     -3.907550      6.842706
  C      -8.659163     -3.314850      5.296871
  C      -8.276078     -1.993611      5.936789
  O      -9.055043     -1.049048      6.070269
  C      -6.883477     -1.981804      6.363298
  O      -6.175373     -3.253918      6.443785
  C      -6.253031     -0.884242      6.980558
  O      -6.601404      0.255860      7.124303
  Cl     -4.503202     -1.339885      7.669802
  C      -7.842448     -3.735846      4.254548
  C      -3.357404     -5.708339      6.511844
  C      -2.086455     -5.589496      7.112576
  C      -1.954648     -5.503203      8.496113
  C      -3.096004     -5.543263      9.285424
  F      -2.962881     -5.418684     10.626214
  C      -4.372261     -5.703300      8.729582
  C      -5.602657     -5.766025      9.534901
  O      -6.738712     -5.771812      9.076296
  C      -5.559323     -5.910648     11.063013
  O      -5.409001     -6.984166     11.594743
  C      -5.899914     -4.607411     11.822757
  O      -5.874198     -3.532149     11.303070
  Cl     -6.245539     -4.869371     13.542797
  C      -4.480988     -5.788383      7.335135
  H      -3.802384     -1.709477      5.063404
  H      -4.199006      0.715673      5.275469
  H      -4.638966     -1.454766      0.816644
  H      -8.534324     -7.075584      4.224341
  H     -10.295309     -6.267559      5.797090
  H      -7.180038     -3.004204      3.790213
  H      -1.193440     -5.526163      6.489816
  H      -0.979331     -5.377642      8.966058
  H      -5.476084     -5.919693      6.908101
  N      -5.501563     -3.663934      5.410088
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646807241847
  N      -4.034486     -3.192033      2.839323
  C      -3.646056     -3.688062      1.509608
  C      -3.049529     -5.075171      1.640431
  N      -3.955536     -5.936143      2.447386
  C      -5.112407     -6.433586      1.650605
  C      -6.301945     -6.637949      2.573203
  N      -6.421664     -5.437080      3.402065
  Mo     -4.764721     -4.565827      4.095631
  N      -3.509081     -5.729981      5.106050
  C      -2.523672     -6.514342      4.347309
  C      -3.221069     -7.046777      3.108733
  H      -2.163201     -7.357704      4.956832
  H      -1.641345     -5.907040      4.080630
  H      -3.963726     -7.796848      3.412874
  H      -2.515727     -7.516113      2.402865
  H      -7.215157     -6.778670      1.974062
  H      -6.176212     -7.542049      3.195775
  H      -5.363846     -5.662477      0.911271
  H      -4.836126     -7.354913      1.112359
  H      -2.896399     -3.012861      1.066931
  H      -4.511006     -3.698208      0.822021
  H      -2.091324     -5.009231      2.172153
  H      -2.864678     -5.530187      0.652618
  C      -4.216873     -1.793225      2.930776
  C      -4.077044     -1.139897      4.175334
  C      -4.281776      0.227153      4.304391
  C      -4.597976      0.967956      3.172997
  F      -4.814001      2.297868      3.301607
  C      -4.702986      0.372989      1.909981
  C      -5.031488      1.127087      0.695492
  O      -5.276728      0.623174     -0.396917
  C      -4.996554      2.661061      0.672676
  O      -3.968727      3.275738      0.523594
  C      -6.402230      3.312604      0.673643
  O      -7.398391      2.704790      0.932016
  Cl     -6.365724      5.048588      0.311769
  C      -4.517825     -1.017935      1.807372
  C      -7.671696     -5.092652      3.955894
  C      -8.610706     -6.012198      4.455129
  C      -9.580317     -5.570315      5.359075
  C      -9.550976     -4.252492      5.819837
  F     -10.364533     -3.907631      6.842617
  C      -8.659265     -3.314754      5.296845
  C      -8.276117     -1.993482      5.936780
  O      -9.055142     -1.048924      6.070075
  C      -6.883483     -1.981714      6.363349
  O      -6.175400     -3.253747      6.443858
  C      -6.253064     -0.884045      6.980564
  O      -6.601413      0.255920      7.123762
  Cl     -4.503236     -1.339887      7.669654
  C      -7.842470     -3.735806      4.254570
  C      -3.357447     -5.708275      6.511787
  C      -2.086554     -5.589346      7.112350
  C      -1.954629     -5.503206      8.495879
  C      -3.095862     -5.543503      9.285352
  F      -2.962358     -5.418926     10.626062
  C      -4.372158     -5.703403      8.729574
  C      -5.602528     -5.766158      9.534981
  O      -6.738467     -5.771980      9.076120
  C      -5.559290     -5.911057     11.062931
  O      -5.408756     -6.984694     11.594276
  C      -5.900077     -4.607761     11.822618
  O      -5.874610     -3.532388     11.302868
  Cl     -6.245189     -4.869294     13.543148
  C      -4.480968     -5.788330      7.335107
  H      -3.802422     -1.709482      5.063420
  H      -4.198993      0.715606      5.275542
  H      -4.639052     -1.454396      0.816448
  H      -8.534355     -7.075517      4.224392
  H     -10.295480     -6.267373      5.796949
  H      -7.180036     -3.004130      3.790288
  H      -1.193633     -5.525908      6.489466
  H      -0.979229     -5.377536      8.965568
  H      -5.476120     -5.919646      6.908191
  N      -5.501587     -3.663845      5.410162
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646808402501
  N      -4.034490     -3.192006      2.839339
  C      -3.646063     -3.688096      1.509600
  C      -3.049555     -5.075224      1.640483
  N      -3.955535     -5.936126      2.447476
  C      -5.112394     -6.433632      1.650712
  C      -6.301916     -6.637968      2.573329
  N      -6.421629     -5.437072      3.402162
  Mo     -4.764698     -4.565763      4.095677
  N      -3.509054     -5.729928      5.106127
  C      -2.523720     -6.514235      4.347475
  C      -3.221108     -7.046737      3.108864
  H      -2.163257     -7.357518      4.957117
  H      -1.641343     -5.906963      4.080789
  H      -3.963868     -7.796723      3.412935
  H      -2.515685     -7.516206      2.403149
  H      -7.215089     -6.778692      1.974059
  H      -6.176160     -7.542063      3.195881
  H      -5.363729     -5.662497      0.911376
  H      -4.836056     -7.355019      1.112496
  H      -2.896352     -3.012990      1.066867
  H      -4.511010     -3.698108      0.822005
  H      -2.091392     -5.009300      2.172179
  H      -2.864725     -5.530103      0.652627
  C      -4.216850     -1.793175      2.930760
  C      -4.077019     -1.139763      4.175391
  C      -4.281753      0.227275      4.304331
  C      -4.597956      0.968058      3.172962
  F      -4.813762      2.297924      3.302002
  C      -4.702964      0.373035      1.909926
  C      -5.031571      1.127059      0.695418
  O      -5.276788      0.623047     -0.397003
  C      -4.996584      2.661039      0.672447
  O      -3.968714      3.275585      0.523246
  C      -6.402245      3.312608      0.673464
  O      -7.398463      2.704930      0.931905
  Cl     -6.365625      5.048461      0.311828
  C      -4.517806     -1.017950      1.807390
  C      -7.671626     -5.092642      3.955979
  C      -8.610640     -6.012146      4.455198
  C      -9.580272     -5.570247      5.359118
  C      -9.551008     -4.252411      5.819850
  F     -10.364654     -3.907675      6.842594
  C      -8.659301     -3.314668      5.296859
  C      -8.276153     -1.993377      5.936732
  O      -9.055263     -1.048804      6.069910
  C      -6.883542     -1.981586      6.363331
  O      -6.175411     -3.253621      6.443864
  C      -6.253200     -0.883852      6.980467
  O      -6.601898      0.255955      7.123628
  Cl     -4.503045     -1.339684      7.669169
  C      -7.842460     -3.735755      4.254629
  C      -3.357475     -5.708210      6.511795
  C      -2.086642     -5.589254      7.112274
  C      -1.954672     -5.503274      8.495806
  C      -3.095842     -5.543724      9.285367
  F      -2.962013     -5.419189     10.626069
  C      -4.372137     -5.703466      8.729612
  C      -5.602491     -5.766256      9.535045
  O      -6.738253     -5.771898      9.076023
  C      -5.559367     -5.911435     11.062913
  O      -5.408720     -6.985062     11.594239
  C      -5.900243     -4.608104     11.822537
  O      -5.874811     -3.532850     11.302337
  Cl     -6.244888     -4.869519     13.543152
  C      -4.480973     -5.788270      7.335133
  H      -3.802425     -1.709363      5.063469
  H      -4.198920      0.715624      5.275594
  H      -4.639134     -1.454188      0.816365
  H      -8.534283     -7.075473      4.224503
  H     -10.295406     -6.267299      5.797047
  H      -7.180023     -3.004055      3.790359
  H      -1.193760     -5.525789      6.489335
  H      -0.979201     -5.377787      8.965347
  H      -5.476188     -5.919605      6.908345
  N      -5.501582     -3.663781      5.410166
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646811100722
  N      -4.034510     -3.191916      2.839410
  C      -3.646087     -3.688131      1.509656
  C      -3.049614     -5.075290      1.640643
  N      -3.955540     -5.936057      2.447721
  C      -5.112363     -6.433704      1.650975
  C      -6.301864     -6.637990      2.573606
  N      -6.421561     -5.437036      3.402384
  Mo     -4.764668     -4.565593      4.095806
  N      -3.509032     -5.729819      5.106329
  C      -2.523869     -6.513980      4.347852
  C      -3.221236     -7.046639      3.109122
  H      -2.163351     -7.357104      4.957694
  H      -1.641356     -5.906675      4.081233
  H      -3.964194     -7.796423      3.413037
  H      -2.515739     -7.516284      2.403550
  H      -7.214959     -6.778705      1.974048
  H      -6.176077     -7.542071      3.196123
  H      -5.363468     -5.662490      0.911646
  H      -4.835853     -7.355236      1.112780
  H      -2.896261     -3.013266      1.066771
  H      -4.511158     -3.697733      0.822109
  H      -2.091475     -5.009361      2.172338
  H      -2.864907     -5.529972      0.652764
  C      -4.216784     -1.793030      2.930746
  C      -4.076970     -1.139428      4.175518
  C      -4.281708      0.227571      4.304126
  C      -4.597911      0.968312      3.172778
  F      -4.813168      2.298092      3.302426
  C      -4.702878      0.373159      1.909727
  C      -5.031785      1.127000      0.695171
  O      -5.276897      0.622691     -0.397269
  C      -4.996628      2.660985      0.671728
  O      -3.968595      3.275140      0.522243
  C      -6.402231      3.312663      0.672882
  O      -7.398531      2.705376      0.931485
  Cl     -6.365271      5.048546      0.311722
  C      -4.517735     -1.017959      1.807454
  C      -7.671487     -5.092586      3.956168
  C      -8.610499     -6.011997      4.455348
  C      -9.580170     -5.570073      5.359231
  C      -9.551091     -4.252196      5.819882
  F     -10.364916     -3.907748      6.842567
  C      -8.659416     -3.314428      5.296870
  C      -8.276295     -1.993094      5.936574
  O      -9.055531     -1.048443      6.069453
  C      -6.883754     -1.981217      6.363240
  O      -6.175504     -3.253280      6.443860
  C      -6.253596     -0.883356      6.980146
  O      -6.603195      0.256023      7.123377
  Cl     -4.502899     -1.338805      7.667824
  C      -7.842447     -3.735608      4.254756
  C      -3.357566     -5.708126      6.511935
  C      -2.086815     -5.589061      7.112206
  C      -1.954707     -5.503568      8.495746
  C      -3.095716     -5.544407      9.285533
  F      -2.961393     -5.419982     10.626296
  C      -4.372014     -5.703809      8.729883
  C      -5.602277     -5.766628      9.535395
  O      -6.737665     -5.772410      9.076086
  C      -5.559362     -5.912483     11.063084
  O      -5.408277     -6.985911     11.594644
  C      -5.900703     -4.609068     11.822443
  O      -5.875207     -3.534390     11.300852
  Cl     -6.244165     -4.870327     13.542794
  C      -4.480961     -5.788242      7.335380
  H      -3.802472     -1.708916      5.063689
  H      -4.198839      0.716001      5.275543
  H      -4.639292     -1.453748      0.816147
  H      -8.534118     -7.075342      4.224749
  H     -10.295178     -6.267128      5.797347
  H      -7.180006     -3.003831      3.790537
  H      -1.194078     -5.525468      6.489071
  H      -0.979050     -5.378467      8.964900
  H      -5.476343     -5.919478      6.908909
  N      -5.501613     -3.663629      5.410158
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670602-z8CJ/orca E -7995.646812145599
  N      -4.034528     -3.191869      2.839435
  C      -3.646121     -3.688114      1.509713
  C      -3.049635     -5.075266      1.640691
  N      -3.955539     -5.936014      2.447796
  C      -5.112346     -6.433695      1.651043
  C      -6.301850     -6.637983      2.573664
  N      -6.421548     -5.437023      3.402437
  Mo     -4.764671     -4.565535      4.095841
  N      -3.509041     -5.729806      5.106368
  C      -2.523915     -6.513909      4.347929
  C      -3.221277     -7.046630      3.109156
  H      -2.163305     -7.357040      4.957705
  H      -1.641378     -5.906507      4.081385
  H      -3.964193     -7.796384      3.413070
  H      -2.515867     -7.516196      2.403425
  H      -7.214936     -6.778696      1.974032
  H      -6.176068     -7.542064      3.196178
  H      -5.363412     -5.662451      0.911725
  H      -4.835765     -7.355272      1.112833
  H      -2.896224     -3.013322      1.066759
  H      -4.511325     -3.697524      0.822233
  H      -2.091443     -5.009297      2.172440
  H      -2.864988     -5.530004      0.652831
  C      -4.216769     -1.792970      2.930744
  C      -4.076964     -1.139341      4.175514
  C      -4.281695      0.227625      4.304037
  C      -4.597906      0.968375      3.172679
  F      -4.813012      2.298131      3.302163
  C      -4.702833      0.373162      1.909675
  C      -5.031862      1.126933      0.695092
  O      -5.276904      0.622511     -0.397326
  C      -4.996620      2.660914      0.671462
  O      -3.968520      3.274934      0.521891
  C      -6.402208      3.312621      0.672668
  O      -7.398514      2.705465      0.931310
  Cl     -6.365128      5.048774      0.311668
  C      -4.517703     -1.017973      1.807521
  C      -7.671458     -5.092557      3.956220
  C      -8.610457     -6.011941      4.455400
  C      -9.580127     -5.570013      5.359285
  C      -9.551113     -4.252125      5.819918
  F     -10.364980     -3.907797      6.842604
  C      -8.659464     -3.314337      5.296883
  C      -8.276355     -1.993000      5.936523
  O      -9.055605     -1.048328      6.069300
  C      -6.883842     -1.981099      6.363202
  O      -6.175551     -3.253180      6.443845
  C      -6.253735     -0.883194      6.980033
  O      -6.603722      0.256150      7.123495
  Cl     -4.502788     -1.338315      7.667366
  C      -7.842446     -3.735552      4.254797
  C      -3.357607     -5.708133      6.512070
  C      -2.086835     -5.589016      7.112286
  C      -1.954673     -5.503703      8.495824
  C      -3.095626     -5.544696      9.285676
  F      -2.961350     -5.420277     10.626477
  C      -4.371970     -5.703949      8.730048
  C      -5.602184     -5.766762      9.535585
  O      -6.737488     -5.772419      9.076061
  C      -5.559383     -5.912928     11.063222
  O      -5.408149     -6.986297     11.594883
  C      -5.900879     -4.609466     11.822442
  O      -5.875247     -3.535103     11.300264
  Cl     -6.243908     -4.870597     13.542514
  C      -4.480960     -5.788259      7.335538
  H      -3.802495     -1.708700      5.063782
  H      -4.198866      0.716283      5.275368
  H      -4.639326     -1.453664      0.816131
  H      -8.534061     -7.075293      4.224836
  H     -10.295077     -6.267074      5.797485
  H      -7.180008     -3.003741      3.790596
  H      -1.194160     -5.525367      6.489071
  H      -0.978926     -5.378674      8.964858
  H      -5.476381     -5.919424      6.909135
  N      -5.501637     -3.663592      5.410142
