113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.669522076609
  N      -2.624290     -3.625559      2.676989
  C      -1.967780     -4.624053      1.856879
  C      -2.337717     -6.032804      2.302524
  N      -3.740688     -6.076285      2.665645
  C      -4.597986     -5.971560      1.503359
  C      -5.995413     -5.532911      1.922124
  N      -5.951438     -4.513146      2.953075
  Mo     -4.108438     -4.404432      3.871636
  N      -3.243076     -5.670280      5.225182
  C      -3.364674     -7.062996      4.857138
  C      -4.048637     -7.224521      3.494989
  H      -3.948654     -7.637534      5.601824
  H      -2.381130     -7.559996      4.794693
  H      -5.130833     -7.249585      3.630713
  H      -3.733505     -8.168434      3.018980
  H      -6.493218     -5.171534      1.007048
  H      -6.568295     -6.422309      2.249661
  H      -4.179052     -5.195760      0.860651
  H      -4.641445     -6.918009      0.938152
  H      -0.869541     -4.551864      1.928285
  H      -2.209368     -4.506354      0.784123
  H      -1.764224     -6.264298      3.198454
  H      -2.094808     -6.770575      1.519997
  C      -2.446742     -2.284469      2.128772
  C      -0.988859     -1.974836      1.701907
  C       0.060289     -2.104019      2.805311
  C       1.457693     -1.823432      2.250962
  C       2.562541     -2.067275      3.264261
  Cl      2.786220     -3.823436      3.565367
  C      -2.917524     -1.260635      3.169534
  C      -3.000260      0.177135      2.665179
  C      -3.953837      0.267899      1.479941
  C      -3.513474     -0.687379      0.377574
  C      -3.378398     -2.117696      0.893109
  C      -7.290861     -4.215066      3.437794
  C      -7.790620     -5.342318      4.398315
  C      -6.823625     -5.587490      5.550992
  C      -6.935166     -6.989906      6.149261
  C      -8.269684     -7.191937      6.848275
  Cl     -8.340613     -8.810373      7.623813
  C      -7.336365     -2.891117      4.219080
  C      -6.984379     -1.707715      3.325795
  C      -7.999617     -1.575302      2.196655
  C      -8.044393     -2.875052      1.401839
  C      -8.358566     -4.051226      2.322991
  C      -2.595875     -5.436249      6.516107
  C      -3.696084     -5.495300      7.616136
  C      -3.318854     -5.053679      9.028533
  C      -4.528400     -5.120361      9.962399
  C      -4.198146     -4.684916     11.379869
  Cl     -3.058667     -5.830054     12.168041
  C      -1.489758     -6.458850      6.872956
  C      -0.251525     -6.238224      6.009905
  C       0.448746     -4.932058      6.401219
  C      -0.529722     -3.971795      7.077919
  C      -1.923011     -4.041082      6.456398
  H      -0.712317     -2.626595      0.870603
  H      -0.954630     -0.954983      1.319585
  H       0.027796     -3.104477      3.237704
  H      -0.147930     -1.391368      3.603959
  H       1.638861     -2.442747      1.369391
  H       1.519204     -0.777390      1.939485
  H       2.331764     -1.616708      4.228879
  H       3.523936     -1.703699      2.902493
  H      -3.917758     -1.586253      3.448002
  H      -2.266745     -1.315666      4.042877
  H      -2.015144      0.545825      2.374398
  H      -3.359732      0.817722      3.474721
  H      -3.985331      1.290525      1.095504
  H      -4.960552      0.000538      1.805942
  H      -2.561235     -0.351182     -0.039157
  H      -4.244089     -0.672607     -0.436579
  H      -3.021119     -2.742954      0.070999
  H      -4.360332     -2.495223      1.198292
  H      -8.776768     -5.065193      4.774950
  H      -7.912103     -6.263083      3.822734
  H      -7.003683     -4.859239      6.344256
  H      -5.795850     -5.429593      5.163861
  H      -6.133715     -7.137383      6.874673
  H      -6.821576     -7.744602      5.367736
  H      -9.103441     -7.152284      6.149555
  H      -8.415318     -6.463682      7.645445
  H      -6.657096     -2.961941      5.061668
  H      -8.348593     -2.758541      4.610189
  H      -6.956530     -0.783307      3.909219
  H      -5.997024     -1.894189      2.896662
  H      -7.731279     -0.744871      1.539138
  H      -8.989330     -1.366536      2.612651
  H      -7.074332     -3.030043      0.925704
  H      -8.801587     -2.812218      0.615144
  H      -8.472807     -4.968882      1.744008
  H      -9.320305     -3.866019      2.809493
  H      -4.532920     -4.885000      7.264240
  H      -4.046473     -6.529604      7.665085
  H      -2.539135     -5.701100      9.430810
  H      -2.935832     -4.032393      9.020457
  H      -4.924200     -6.137860      9.979623
  H      -5.316891     -4.459740      9.593363
  H      -3.708572     -3.711723     11.395714
  H      -5.087259     -4.666518     12.009234
  H      -1.856396     -7.481048      6.779443
  H      -1.210053     -6.328586      7.918065
  H      -0.553717     -6.182964      4.962812
  H       0.436676     -7.081670      6.109749
  H       1.279491     -5.137784      7.080806
  H       0.868156     -4.466992      5.508819
  H      -0.152293     -2.949793      6.992772
  H      -0.592197     -4.201436      8.143397
  H      -2.545676     -3.314855      6.976680
  H      -1.865461     -3.771228      5.394748
  N      -4.464246     -2.718375      5.123639
  H      -4.058162     -2.563738      6.053079
  H      -5.071084     -1.921708      4.900603
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.694227194454
  N      -2.612626     -3.606901      2.696597
  C      -1.943923     -4.598720      1.856245
  C      -2.279562     -6.014622      2.292726
  N      -3.696799     -6.070546      2.671821
  C      -4.572803     -5.948983      1.503973
  C      -5.960091     -5.518955      1.947768
  N      -5.911034     -4.509142      3.006725
  Mo     -4.066130     -4.391268      3.910700
  N      -3.187914     -5.670115      5.223981
  C      -3.298712     -7.074708      4.854310
  C      -3.997610     -7.239764      3.504302
  H      -3.867363     -7.654528      5.604520
  H      -2.307297     -7.555700      4.789553
  H      -5.083832     -7.276059      3.650030
  H      -3.681533     -8.177719      3.016964
  H      -6.469779     -5.141107      1.045778
  H      -6.533879     -6.408675      2.269040
  H      -4.156547     -5.162291      0.864467
  H      -4.618601     -6.887229      0.925504
  H      -0.845610     -4.504016      1.911042
  H      -2.204429     -4.471362      0.789399
  H      -1.688840     -6.253928      3.181782
  H      -2.040629     -6.743475      1.500228
  C      -2.453223     -2.249341      2.125207
  C      -0.995328     -1.970525      1.682908
  C       0.068379     -2.085132      2.778341
  C       1.465938     -1.834606      2.204190
  C       2.586331     -2.067623      3.205012
  Cl      2.801740     -3.825543      3.549398
  C      -2.901856     -1.179417      3.136149
  C      -2.991373      0.240560      2.581520
  C      -3.971656      0.285484      1.409682
  C      -3.549377     -0.708485      0.329904
  C      -3.402528     -2.122673      0.892656
  C      -7.280564     -4.220087      3.479349
  C      -7.839597     -5.352734      4.415098
  C      -7.000698     -5.640478      5.662476
  C      -7.201314     -7.046209      6.237308
  C      -8.603739     -7.228488      6.796502
  Cl     -8.786521     -8.854275      7.549634
  C      -7.373243     -2.887973      4.255393
  C      -6.998237     -1.687600      3.376399
  C      -7.959698     -1.576792      2.193119
  C      -7.947005     -2.882675      1.394898
  C      -8.287355     -4.066541      2.306113
  C      -2.535740     -5.423600      6.523450
  C      -3.641048     -5.501536      7.617284
  C      -3.269710     -5.071904      9.034895
  C      -4.485932     -5.156505      9.961266
  C      -4.178697     -4.737193     11.390510
  Cl     -3.037297     -5.883407     12.189712
  C      -1.421760     -6.446288      6.856525
  C      -0.181871     -6.203040      5.994017
  C       0.509071     -4.888645      6.407185
  C      -0.478366     -3.940995      7.103600
  C      -1.873409     -4.010007      6.481232
  H      -0.732144     -2.648835      0.859515
  H      -0.959052     -0.956816      1.269361
  H       0.030914     -3.081522      3.239918
  H      -0.123879     -1.348645      3.569894
  H       1.631313     -2.478048      1.329046
  H       1.536563     -0.790235      1.864639
  H       2.377353     -1.588844      4.167469
  H       3.549756     -1.720542      2.819630
  H      -3.901768     -1.475507      3.443948
  H      -2.240475     -1.210317      4.010558
  H      -2.005583      0.604124      2.258888
  H      -3.335709      0.911849      3.380389
  H      -4.017714      1.299025      0.988691
  H      -4.980147      0.022287      1.770696
  H      -2.600950     -0.381094     -0.118836
  H      -4.295461     -0.726328     -0.477100
  H      -3.055033     -2.781911      0.084512
  H      -4.386450     -2.490960      1.222615
  H      -8.852108     -5.056064      4.713809
  H      -7.935818     -6.273703      3.821231
  H      -7.237797     -4.907977      6.445733
  H      -5.936970     -5.514041      5.397055
  H      -6.476705     -7.217434      7.045084
  H      -7.022751     -7.803469      5.460807
  H      -9.367371     -7.166077      6.015603
  H      -8.817488     -6.498204      7.584069
  H      -6.735723     -2.947678      5.139684
  H      -8.410315     -2.773631      4.598705
  H      -7.015175     -0.759311      3.965467
  H      -5.979923     -1.839988      2.986780
  H      -7.676511     -0.734233      1.547367
  H      -8.978182     -1.386016      2.562974
  H      -6.947481     -3.023807      0.958095
  H      -8.669692     -2.832898      0.568965
  H      -8.364185     -4.993763      1.723996
  H      -9.276661     -3.893244      2.750662
  H      -4.484981     -4.889769      7.266288
  H      -3.990242     -6.544426      7.655270
  H      -2.481951     -5.720685      9.436817
  H      -2.888237     -4.041489      9.039869
  H      -4.880133     -6.182505      9.961072
  H      -5.281360     -4.492545      9.589615
  H      -3.696647     -3.754494     11.426738
  H      -5.080490     -4.731389     12.010127
  H      -1.786258     -7.474557      6.752113
  H      -1.145290     -6.326663      7.909708
  H      -0.485949     -6.137366      4.939913
  H       0.515497     -7.046172      6.079117
  H       1.346515     -5.098616      7.085418
  H       0.928886     -4.402238      5.517565
  H      -0.108690     -2.909021      7.037071
  H      -0.540701     -4.187258      8.171777
  H      -2.509752     -3.290105      7.010316
  H      -1.811263     -3.714376      5.423908
  N      -4.423226     -2.808550      5.211951
  H      -4.006069     -2.696402      6.139088
  H      -5.033793     -2.009407      5.033606
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.706742403526
  N      -2.609350     -3.622282      2.689751
  C      -1.924014     -4.620677      1.844182
  C      -2.251971     -6.036755      2.277205
  N      -3.690443     -6.083547      2.650969
  C      -4.570866     -5.950895      1.466298
  C      -5.945942     -5.514916      1.924358
  N      -5.884649     -4.502284      3.001773
  Mo     -4.055552     -4.366600      3.902573
  N      -3.212843     -5.653953      5.201256
  C      -3.322783     -7.076513      4.846924
  C      -4.014546     -7.256929      3.498811
  H      -3.896191     -7.640937      5.603270
  H      -2.327853     -7.551062      4.807195
  H      -5.107088     -7.284880      3.634812
  H      -3.703321     -8.199095      3.017439
  H      -6.464744     -5.128163      1.033575
  H      -6.525707     -6.396035      2.253224
  H      -4.142551     -5.168490      0.824027
  H      -4.622202     -6.888720      0.888506
  H      -0.827195     -4.515444      1.901899
  H      -2.184209     -4.484285      0.779918
  H      -1.664925     -6.284943      3.170888
  H      -2.015738     -6.768747      1.487281
  C      -2.460385     -2.240082      2.118947
  C      -0.998940     -1.977383      1.684082
  C       0.072061     -2.109679      2.772756
  C       1.469664     -1.866957      2.192437
  C       2.604097     -2.117839      3.172386
  Cl      2.817178     -3.888299      3.501124
  C      -2.899825     -1.166733      3.137215
  C      -2.981709      0.253527      2.574537
  C      -3.965640      0.304057      1.401037
  C      -3.553543     -0.697933      0.320313
  C      -3.412674     -2.115002      0.885813
  C      -7.265692     -4.216086      3.505049
  C      -7.789216     -5.368356      4.425328
  C      -6.935669     -5.683467      5.659751
  C      -7.114835     -7.105875      6.204656
  C      -8.507698     -7.326144      6.774369
  Cl     -8.662523     -8.977296      7.490456
  C      -7.345056     -2.891553      4.301554
  C      -6.992554     -1.667308      3.438739
  C      -7.969009     -1.547568      2.263598
  C      -7.963993     -2.843698      1.441087
  C      -8.283519     -4.047576      2.340132
  C      -2.571099     -5.390249      6.523204
  C      -3.693364     -5.452372      7.599836
  C      -3.316948     -5.026672      9.018657
  C      -4.533072     -5.084035      9.948723
  C      -4.227702     -4.668054     11.379328
  Cl     -3.106540     -5.832642     12.196193
  C      -1.475758     -6.432829      6.851969
  C      -0.222799     -6.203609      5.999478
  C       0.483176     -4.894612      6.427836
  C      -0.496724     -3.934952      7.128808
  C      -1.887931     -3.976201      6.493084
  H      -0.741066     -2.652151      0.850246
  H      -0.960794     -0.958356      1.270736
  H       0.030839     -3.114379      3.231986
  H      -0.109324     -1.377848      3.579193
  H       1.623288     -2.503575      1.304122
  H       1.547389     -0.815268      1.858925
  H       2.416860     -1.645243      4.147122
  H       3.567630     -1.772732      2.776750
  H      -3.907819     -1.442268      3.461613
  H      -2.238479     -1.204392      4.017580
  H      -1.989483      0.612819      2.247383
  H      -3.315017      0.931309      3.377996
  H      -4.009264      1.320848      0.977482
  H      -4.980414      0.049153      1.768236
  H      -2.600582     -0.374084     -0.134208
  H      -4.300731     -0.715564     -0.490787
  H      -3.068626     -2.784179      0.078207
  H      -4.403588     -2.478410      1.215165
  H      -8.804166     -5.079939      4.740164
  H      -7.889670     -6.282111      3.810074
  H      -7.162003     -4.963461      6.465224
  H      -5.873152     -5.551917      5.399058
  H      -6.375775     -7.289177      7.002924
  H      -6.931552     -7.844609      5.404392
  H      -9.286976     -7.254040      6.003937
  H      -8.725974     -6.615682      7.584332
  H      -6.696941     -2.959140      5.187020
  H      -8.381835     -2.793783      4.662057
  H      -7.007026     -0.748021      4.048857
  H      -5.973386     -1.790666      3.029361
  H      -7.703223     -0.685956      1.628198
  H      -8.988571     -1.370249      2.651852
  H      -6.966955     -2.971826      0.979750
  H      -8.700800     -2.785044      0.623701
  H      -8.369707     -4.970707      1.746646
  H      -9.268938     -3.887137      2.807411
  H      -4.527943     -4.825232      7.240108
  H      -4.067689     -6.492868      7.635371
  H      -2.536258     -5.689227      9.425740
  H      -2.911681     -3.998896      9.021232
  H      -4.951881     -6.105377      9.951041
  H      -5.320637     -4.403548      9.572145
  H      -3.728866     -3.689202     11.418880
  H      -5.135119     -4.642885     11.996141
  H      -1.859955     -7.457616      6.744666
  H      -1.211665     -6.319917      7.914040
  H      -0.517905     -6.131550      4.937132
  H       0.463711     -7.059670      6.082370
  H       1.316484     -5.121594      7.111590
  H       0.919744     -4.403371      5.542278
  H      -0.112409     -2.903343      7.077587
  H      -0.573317     -4.187828      8.199421
  H      -2.524687     -3.245201      7.017108
  H      -1.802504     -3.661969      5.440684
  N      -4.436158     -2.873946      5.176324
  H      -4.032486     -2.781117      6.108150
  H      -5.044701     -2.074204      5.002329
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.712244516476
  N      -2.604105     -3.628904      2.684545
  C      -1.910558     -4.626449      1.838621
  C      -2.237895     -6.041425      2.270560
  N      -3.680374     -6.080537      2.640901
  C      -4.563468     -5.930186      1.458364
  C      -5.928123     -5.493549      1.934992
  N      -5.853730     -4.498022      3.032744
  Mo     -4.028495     -4.334107      3.908261
  N      -3.204151     -5.634176      5.177123
  C      -3.321287     -7.063370      4.833455
  C      -4.019751     -7.247535      3.493330
  H      -3.890314     -7.614481      5.601956
  H      -2.325887     -7.533022      4.797963
  H      -5.111643     -7.261496      3.625300
  H      -3.719183     -8.192339      3.011742
  H      -6.460345     -5.085479      1.062284
  H      -6.512068     -6.370390      2.263932
  H      -4.125282     -5.150536      0.821168
  H      -4.621805     -6.864204      0.875772
  H      -0.815913     -4.510174      1.896968
  H      -2.175048     -4.481555      0.777502
  H      -1.657338     -6.300900      3.164547
  H      -2.009899     -6.775188      1.480698
  C      -2.475133     -2.236071      2.112315
  C      -1.013340     -1.975791      1.686914
  C       0.048249     -2.111722      2.781196
  C       1.452316     -1.878783      2.218284
  C       2.573764     -2.141808      3.206185
  Cl      2.759684     -3.918170      3.542807
  C      -2.915059     -1.168357      3.132737
  C      -2.998160      0.248100      2.558715
  C      -3.978458      0.292107      1.382337
  C      -3.565476     -0.715220      0.306939
  C      -3.422873     -2.129281      0.880351
  C      -7.250015     -4.220930      3.541061
  C      -7.774025     -5.391321      4.422351
  C      -6.962295     -5.707546      5.681388
  C      -7.141529     -7.136480      6.207204
  C      -8.548848     -7.388166      6.721947
  Cl     -8.703341     -9.051471      7.413824
  C      -7.357549     -2.908269      4.347698
  C      -7.005622     -1.665079      3.515737
  C      -7.946938     -1.542820      2.313347
  C      -7.912016     -2.828903      1.478347
  C      -8.238050     -4.045773      2.354092
  C      -2.561695     -5.361285      6.511304
  C      -3.690731     -5.399147      7.577262
  C      -3.312072     -4.985816      8.998622
  C      -4.529739     -5.018880      9.925722
  C      -4.226145     -4.616991     11.358293
  Cl     -3.129869     -5.807822     12.176714
  C      -1.485203     -6.420700      6.844218
  C      -0.227462     -6.224014      5.993090
  C       0.499504     -4.922281      6.405546
  C      -0.461722     -3.941278      7.100723
  C      -1.854098     -3.960699      6.466420
  H      -0.751089     -2.645004      0.850792
  H      -0.973986     -0.957276      1.271577
  H      -0.000681     -3.114685      3.241187
  H      -0.137214     -1.384919      3.590848
  H       1.610833     -2.511866      1.328534
  H       1.545217     -0.828233      1.885839
  H       2.387791     -1.667433      4.179762
  H       3.545843     -1.811151      2.821188
  H      -3.924625     -1.432599      3.468722
  H      -2.259623     -1.205063      4.017194
  H      -2.006364      0.607454      2.232161
  H      -3.328366      0.930377      3.358776
  H      -4.027382      1.306521      0.955759
  H      -4.992146      0.039145      1.750072
  H      -2.613164     -0.392138     -0.148842
  H      -4.308235     -0.738683     -0.507236
  H      -3.075567     -2.807310      0.082412
  H      -4.414294     -2.492389      1.206806
  H      -8.805151     -5.123965      4.703146
  H      -7.845121     -6.298584      3.794323
  H      -7.216655     -4.994119      6.484310
  H      -5.890451     -5.566576      5.469361
  H      -6.428745     -7.317630      7.029014
  H      -6.914766     -7.863514      5.407715
  H      -9.302917     -7.319270      5.927114
  H      -8.810704     -6.690966      7.529920
  H      -6.745116     -2.978767      5.255802
  H      -8.405256     -2.833137      4.680727
  H      -7.051017     -0.757741      4.140666
  H      -5.973190     -1.752272      3.132808
  H      -7.677058     -0.669574      1.697247
  H      -8.978036     -1.379666      2.675914
  H      -6.905983     -2.942930      1.033770
  H      -8.629352     -2.767880      0.645017
  H      -8.307117     -4.963024      1.751254
  H      -9.234203     -3.902230      2.804612
  H      -4.509665     -4.754960      7.214243
  H      -4.092764     -6.428546      7.608817
  H      -2.545088     -5.662626      9.407383
  H      -2.882559     -3.968662      9.006574
  H      -4.975435     -6.028675      9.921045
  H      -5.302046     -4.321010      9.549897
  H      -3.709667     -3.648340     11.409058
  H      -5.135028     -4.576453     11.971010
  H      -1.890095     -7.437239      6.754369
  H      -1.224339     -6.301293      7.906582
  H      -0.518972     -6.163238      4.929779
  H       0.443856     -7.090369      6.084299
  H       1.330520     -5.156165      7.088810
  H       0.944699     -4.446608      5.516488
  H      -0.060671     -2.916893      7.045209
  H      -0.541631     -4.182607      8.173258
  H      -2.478067     -3.211300      6.978745
  H      -1.758904     -3.647915      5.414104
  N      -4.404011     -2.912255      5.162210
  H      -4.009405     -2.844553      6.101874
  H      -5.000904     -2.100478      4.997217
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.714460505684
  N      -2.598864     -3.626738      2.682546
  C      -1.889138     -4.621535      1.850697
  C      -2.218832     -6.036842      2.281437
  N      -3.659658     -6.081419      2.637952
  C      -4.535934     -5.923856      1.457933
  C      -5.903153     -5.493894      1.932601
  N      -5.832772     -4.518131      3.046273
  Mo     -4.014523     -4.315044      3.908514
  N      -3.205925     -5.618628      5.170076
  C      -3.316119     -7.048725      4.833330
  C      -4.006739     -7.238590      3.491358
  H      -3.884952     -7.594083      5.606115
  H      -2.317045     -7.510083      4.806026
  H      -5.097934     -7.247214      3.612438
  H      -3.704850     -8.186517      3.015832
  H      -6.433309     -5.069576      1.067474
  H      -6.489590     -6.373116      2.249490
  H      -4.092227     -5.142917      0.828709
  H      -4.589921     -6.855313      0.869748
  H      -0.796966     -4.494383      1.922987
  H      -2.143856     -4.476368      0.787436
  H      -1.648609     -6.299675      3.179265
  H      -1.985092     -6.770647      1.492766
  C      -2.480256     -2.233022      2.103235
  C      -1.021031     -1.971862      1.665419
  C       0.059414     -2.108918      2.738792
  C       1.448375     -1.858269      2.148367
  C       2.597881     -2.130239      3.098501
  Cl      2.808231     -3.911541      3.391856
  C      -2.913320     -1.160185      3.115299
  C      -2.990696      0.249687      2.524329
  C      -3.969543      0.284084      1.348477
  C      -3.565213     -0.737473      0.284913
  C      -3.428581     -2.144255      0.876353
  C      -7.228539     -4.235696      3.568762
  C      -7.756303     -5.415659      4.426801
  C      -6.956974     -5.744949      5.686953
  C      -7.154808     -7.175687      6.199515
  C      -8.568685     -7.422551      6.695372
  Cl     -8.743417     -9.092002      7.365716
  C      -7.301053     -2.935859      4.393483
  C      -6.944965     -1.684500      3.581933
  C      -7.888834     -1.525257      2.388097
  C      -7.890062     -2.797628      1.536649
  C      -8.225770     -4.020624      2.394662
  C      -2.583240     -5.340625      6.519977
  C      -3.724521     -5.377840      7.568548
  C      -3.358092     -4.981127      8.997872
  C      -4.580125     -5.014984      9.917275
  C      -4.283518     -4.631343     11.354715
  Cl     -3.194521     -5.835329     12.162936
  C      -1.515133     -6.403321      6.866841
  C      -0.248270     -6.217478      6.030920
  C       0.476531     -4.915140      6.436244
  C      -0.484198     -3.931311      7.121572
  C      -1.870862     -3.946828      6.476331
  H      -0.769833     -2.631736      0.820324
  H      -0.987293     -0.953752      1.251135
  H       0.028250     -3.113783      3.192755
  H      -0.115105     -1.394506      3.559688
  H       1.589006     -2.470328      1.242529
  H       1.527776     -0.803501      1.830846
  H       2.439018     -1.678725      4.086263
  H       3.555929     -1.786130      2.693599
  H      -3.922597     -1.409227      3.458307
  H      -2.262865     -1.192116      4.001651
  H      -1.998566      0.600724      2.195563
  H      -3.315264      0.943280      3.315345
  H      -4.018228      1.292958      0.912278
  H      -4.982008      0.040961      1.720102
  H      -2.613734     -0.426240     -0.177335
  H      -4.307778     -0.765895     -0.527650
  H      -3.087294     -2.836731      0.090535
  H      -4.420524     -2.497189      1.208331
  H      -8.790185     -5.154291      4.700958
  H      -7.829915     -6.314872      3.790893
  H      -7.203388     -5.033646      6.492423
  H      -5.881258     -5.613966      5.487117
  H      -6.452473     -7.370922      7.024452
  H      -6.923769     -7.896518      5.397435
  H      -9.313753     -7.338741      5.895098
  H      -8.835658     -6.733385      7.507021
  H      -6.688692     -3.027010      5.298987
  H      -8.343769     -2.851910      4.738364
  H      -6.974841     -0.790203      4.224086
  H      -5.916321     -1.768124      3.190693
  H      -7.607406     -0.649295      1.783724
  H      -8.912147     -1.343625      2.760195
  H      -6.895253     -2.924280      1.074895
  H      -8.615310     -2.709657      0.713942
  H      -8.326727     -4.925049      1.780964
  H      -9.212521     -3.866168      2.860750
  H      -4.533451     -4.725155      7.203769
  H      -4.138245     -6.401190      7.585450
  H      -2.597327     -5.663024      9.405987
  H      -2.921560     -3.968888      9.019645
  H      -5.035742     -6.018431      9.898531
  H      -5.345693     -4.309689      9.545832
  H      -3.765014     -3.666139     11.421947
  H      -5.193989     -4.595334     11.963461
  H      -1.925155     -7.416976      6.784269
  H      -1.266717     -6.279187      7.930681
  H      -0.526542     -6.168751      4.965168
  H       0.419211     -7.084047      6.136058
  H       1.304730     -5.144623      7.122843
  H       0.925503     -4.445767      5.548093
  H      -0.079943     -2.909155      7.068834
  H      -0.572481     -4.168347      8.193089
  H      -2.493524     -3.191133      6.978581
  H      -1.765217     -3.632165      5.425841
  N      -4.435246     -2.929814      5.165976
  H      -4.080494     -2.884574      6.124582
  H      -5.037182     -2.118962      5.003034
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.716258178531
  N      -2.597687     -3.625612      2.650570
  C      -1.886164     -4.629768      1.837412
  C      -2.238882     -6.038719      2.274796
  N      -3.675610     -6.068281      2.624434
  C      -4.546036     -5.895260      1.450877
  C      -5.910203     -5.457107      1.926714
  N      -5.833417     -4.503423      3.054293
  Mo     -4.008860     -4.274680      3.891453
  N      -3.222986     -5.589516      5.149962
  C      -3.353596     -7.018335      4.826309
  C      -4.043734     -7.206655      3.484278
  H      -3.928135     -7.546581      5.607003
  H      -2.359302     -7.490818      4.801739
  H      -5.134258     -7.193155      3.600752
  H      -3.757319     -8.165507      3.019191
  H      -6.437212     -5.012955      1.069678
  H      -6.505547     -6.335333      2.230930
  H      -4.093052     -5.117302      0.826069
  H      -4.609374     -6.823964      0.857518
  H      -0.794568     -4.509383      1.922585
  H      -2.128739     -4.488889      0.770651
  H      -1.676706     -6.307294      3.174820
  H      -2.010450     -6.778301      1.488784
  C      -2.469428     -2.232182      2.074931
  C      -1.000220     -1.969150      1.668303
  C       0.049743     -2.107929      2.768973
  C       1.456878     -1.868838      2.221302
  C       2.571247     -2.156031      3.207115
  Cl      2.734806     -3.938538      3.519003
  C      -2.916008     -1.168677      3.086277
  C      -2.983658      0.244231      2.501152
  C      -3.939632      0.282472      1.308252
  C      -3.519474     -0.733253      0.246092
  C      -3.395849     -2.141750      0.835390
  C      -7.232108     -4.242135      3.586594
  C      -7.720341     -5.447007      4.426917
  C      -6.913574     -5.752838      5.686054
  C      -7.070605     -7.191265      6.190924
  C      -8.478595     -7.487106      6.675287
  Cl     -8.604000     -9.166449      7.328751
  C      -7.330623     -2.953100      4.419482
  C      -7.023061     -1.684322      3.619243
  C      -7.970722     -1.538300      2.428600
  C      -7.944934     -2.802988      1.570395
  C      -8.241576     -4.038951      2.419051
  C      -2.597310     -5.316290      6.504492
  C      -3.738355     -5.320633      7.550698
  C      -3.356369     -4.944381      8.981783
  C      -4.571306     -4.946215      9.909879
  C      -4.251217     -4.582154     11.346731
  Cl     -3.187267     -5.820944     12.133404
  C      -1.561003     -6.407992      6.860138
  C      -0.287741     -6.270756      6.027488
  C       0.473770     -4.985904      6.414084
  C      -0.455770     -3.969686      7.091161
  C      -1.844284     -3.948641      6.448817
  H      -0.730634     -2.623578      0.825503
  H      -0.952534     -0.951372      1.256924
  H       0.000431     -3.109323      3.224587
  H      -0.144770     -1.394733      3.585153
  H       1.618930     -2.478472      1.318357
  H       1.558877     -0.815961      1.906937
  H       2.392698     -1.696794      4.187059
  H       3.547870     -1.834759      2.830158
  H      -3.930626     -1.414205      3.414749
  H      -2.284083     -1.207012      3.984610
  H      -1.986491      0.597385      2.194798
  H      -3.322212      0.934954      3.287935
  H      -3.985095      1.293350      0.878133
  H      -4.957286      0.036819      1.661343
  H      -2.561253     -0.423069     -0.200239
  H      -4.248020     -0.755014     -0.578374
  H      -3.046185     -2.835923      0.056259
  H      -4.394418     -2.489865      1.150047
  H      -8.766183     -5.232505      4.695842
  H      -7.760544     -6.343176      3.785808
  H      -7.177209     -5.051202      6.493376
  H      -5.841491     -5.588519      5.489419
  H      -6.366877     -7.370307      7.016486
  H      -6.810658     -7.898943      5.387122
  H      -9.220952     -7.419798      5.871865
  H      -8.773720     -6.814778      7.490469
  H      -6.720715     -3.032555      5.326331
  H      -8.374100     -2.901913      4.769402
  H      -7.081460     -0.799480      4.271906
  H      -5.993996     -1.721232      3.223634
  H      -7.711484     -0.652420      1.830224
  H      -8.996378     -1.379959      2.802903
  H      -6.952745     -2.901041      1.098720
  H      -8.677225     -2.727252      0.753190
  H      -8.330009     -4.940919      1.800922
  H      -9.228124     -3.912484      2.893085
  H      -4.525886     -4.640225      7.193464
  H      -4.188650     -6.327514      7.561370
  H      -2.613177     -5.648550      9.381792
  H      -2.888434     -3.947269      9.007083
  H      -5.060700     -5.932376      9.888047
  H      -5.317970     -4.216328      9.550354
  H      -3.706868     -3.632433     11.418019
  H      -5.153900     -4.527237     11.964612
  H      -2.003177     -7.408774      6.792301
  H      -1.310033     -6.281525      7.922413
  H      -0.559815     -6.231933      4.960687
  H       0.353026     -7.154951      6.146964
  H       1.298151     -5.229686      7.099640
  H       0.933698     -4.540396      5.520691
  H      -0.021627     -2.960830      7.031977
  H      -0.548826     -4.194832      8.164068
  H      -2.439841     -3.167906      6.944437
  H      -1.732740     -3.641666      5.396918
  N      -4.426580     -2.884914      5.157385
  H      -4.103869     -2.863503      6.128906
  H      -4.998366     -2.052528      4.992298
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.717143566398
  N      -2.590633     -3.631406      2.621336
  C      -1.879046     -4.636815      1.813525
  C      -2.240163     -6.043323      2.253878
  N      -3.672428     -6.067340      2.610376
  C      -4.547385     -5.880194      1.444943
  C      -5.909330     -5.435808      1.925802
  N      -5.824207     -4.510707      3.073795
  Mo     -3.990103     -4.262271      3.882238
  N      -3.214220     -5.582678      5.139557
  C      -3.354416     -7.010622      4.818946
  C      -4.045807     -7.196783      3.475718
  H      -3.933336     -7.532388      5.600576
  H      -2.363447     -7.489901      4.794401
  H      -5.136004     -7.172728      3.594373
  H      -3.769368     -8.162001      3.016901
  H      -6.429762     -4.966909      1.077240
  H      -6.514465     -6.315102      2.207232
  H      -4.092829     -5.100206      0.823411
  H      -4.620369     -6.802917      0.842459
  H      -0.787401     -4.520046      1.903696
  H      -2.116973     -4.498072      0.745139
  H      -1.672588     -6.315319      3.149748
  H      -2.016998     -6.782675      1.465435
  C      -2.462540     -2.237867      2.051475
  C      -0.995091     -1.972822      1.637197
  C       0.060696     -2.123472      2.729948
  C       1.465175     -1.879303      2.177596
  C       2.584378     -2.191731      3.150436
  Cl      2.736121     -3.980063      3.430637
  C      -2.906867     -1.181982      3.071809
  C      -2.971108      0.236387      2.497910
  C      -3.924991      0.286222      1.303829
  C      -3.512633     -0.726172      0.235312
  C      -3.396797     -2.138203      0.818721
  C      -7.219115     -4.252595      3.614656
  C      -7.704634     -5.468364      4.441135
  C      -6.904394     -5.779568      5.702921
  C      -7.069920     -7.220649      6.199064
  C      -8.482932     -7.516920      6.668400
  Cl     -8.617988     -9.201718      7.304259
  C      -7.308837     -2.973533      4.460111
  C      -6.999121     -1.699869      3.670661
  C      -7.944572     -1.536679      2.480119
  C      -7.929099     -2.794745      1.612155
  C      -8.230279     -4.034918      2.451491
  C      -2.606372     -5.304788      6.503212
  C      -3.759368     -5.318464      7.535420
  C      -3.394034     -4.942524      8.971258
  C      -4.614648     -4.957318      9.891342
  C      -4.304742     -4.593526     11.330894
  Cl     -3.227740     -5.820123     12.117934
  C      -1.560903     -6.382621      6.879827
  C      -0.274628     -6.234953      6.069904
  C       0.461762     -4.935633      6.457857
  C      -0.492170     -3.928397      7.114017
  C      -1.871781     -3.929017      6.451134
  H      -0.732951     -2.619438      0.785324
  H      -0.945664     -0.951460      1.234577
  H       0.013158     -3.129641      3.175320
  H      -0.129251     -1.419725      3.555706
  H       1.618716     -2.470507      1.260732
  H       1.570476     -0.820733      1.883120
  H       2.416893     -1.748015      4.139595
  H       3.560883     -1.872260      2.771044
  H      -3.923828     -1.427116      3.399864
  H      -2.275747     -1.228947      3.970324
  H      -1.971909      0.589266      2.197134
  H      -3.309576      0.922978      3.288563
  H      -3.966275      1.300339      0.880193
  H      -4.944445      0.044762      1.654976
  H      -2.553416     -0.420759     -0.212591
  H      -4.243790     -0.737919     -0.587249
  H      -3.058921     -2.833937      0.035465
  H      -4.397115     -2.477455      1.139894
  H      -8.755763     -5.269267      4.703253
  H      -7.733256     -6.359786      3.792440
  H      -7.168987     -5.080455      6.512322
  H      -5.831810     -5.615945      5.511346
  H      -6.373278     -7.408144      7.029186
  H      -6.804169     -7.924321      5.393206
  H      -9.217817     -7.440140      5.858721
  H      -8.784272     -6.851689      7.487436
  H      -6.698397     -3.062234      5.365633
  H      -8.351761     -2.920235      4.814046
  H      -7.055880     -0.821486      4.332794
  H      -5.969191     -1.734391      3.275030
  H      -7.674419     -0.649546      1.888223
  H      -8.969442     -1.368305      2.853136
  H      -6.938835     -2.895452      1.135359
  H      -8.663183     -2.708272      0.797151
  H      -8.325667     -4.932890      1.827146
  H      -9.215096     -3.907280      2.929115
  H      -4.548573     -4.641076      7.174756
  H      -4.205507     -6.327327      7.537464
  H      -2.646455     -5.639489      9.375888
  H      -2.935295     -3.940866      9.001528
  H      -5.096415     -5.947374      9.865086
  H      -5.366216     -4.233135      9.529636
  H      -3.773553     -3.636597     11.407593
  H      -5.210827     -4.553110     11.945291
  H      -1.990061     -7.389441      6.814172
  H      -1.326521     -6.246914      7.944765
  H      -0.524802     -6.211801      4.996940
  H       0.375296     -7.109440      6.211824
  H       1.281281     -5.161131      7.155894
  H       0.927680     -4.489716      5.567821
  H      -0.070276     -2.913970      7.057236
  H      -0.599122     -4.149603      8.186762
  H      -2.484849     -3.151927      6.931812
  H      -1.751376     -3.625206      5.399073
  N      -4.394255     -2.864645      5.163284
  H      -4.110058     -2.875490      6.146402
  H      -4.940345     -2.015173      5.001525
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.717729052612
  N      -2.599567     -3.617459      2.615372
  C      -1.869430     -4.616617      1.818202
  C      -2.232754     -6.026421      2.249829
  N      -3.666515     -6.056901      2.595598
  C      -4.535151     -5.858171      1.428380
  C      -5.903359     -5.421408      1.902194
  N      -5.827932     -4.528078      3.074265
  Mo     -3.996635     -4.251177      3.877877
  N      -3.226878     -5.579974      5.131763
  C      -3.371980     -7.005872      4.807150
  C      -4.050441     -7.186011      3.456193
  H      -3.958132     -7.528250      5.582623
  H      -2.382326     -7.488507      4.786296
  H      -5.141863     -7.157879      3.566657
  H      -3.774653     -8.153459      3.001485
  H      -6.408643     -4.928600      1.057634
  H      -6.515289     -6.306662      2.148423
  H      -4.080007     -5.069038      0.818048
  H      -4.603696     -6.772213      0.811892
  H      -0.779836     -4.496012      1.928047
  H      -2.088771     -4.477820      0.745482
  H      -1.667595     -6.301114      3.147414
  H      -1.998390     -6.759524      1.458444
  C      -2.473623     -2.225212      2.046424
  C      -1.000740     -1.950319      1.660370
  C       0.028730     -2.084233      2.779934
  C       1.447074     -1.841603      2.263347
  C       2.538546     -2.154193      3.267864
  Cl      2.668307     -3.940991      3.568262
  C      -2.952399     -1.167736      3.050983
  C      -3.008197      0.249154      2.471052
  C      -3.928986      0.290499      1.250626
  C      -3.488861     -0.728015      0.198688
  C      -3.385050     -2.136419      0.794672
  C      -7.221648     -4.271971      3.614635
  C      -7.702687     -5.483854      4.451330
  C      -6.910964     -5.772658      5.724384
  C      -7.082912     -7.205031      6.245191
  C      -8.501491     -7.493659      6.702840
  Cl     -8.644235     -9.169195      7.360740
  C      -7.301163     -2.988739      4.453138
  C      -6.996055     -1.722521      3.650371
  C      -7.948139     -1.563483      2.463903
  C      -7.940524     -2.827748      1.603989
  C      -8.237545     -4.061338      2.454473
  C      -2.600272     -5.312435      6.489458
  C      -3.744724     -5.291159      7.531233
  C      -3.357472     -4.928899      8.964792
  C      -4.570991     -4.908428      9.893731
  C      -4.237406     -4.558265     11.332109
  Cl     -3.186538     -5.815586     12.105639
  C      -1.582682     -6.419988      6.859306
  C      -0.298880     -6.315496      6.038659
  C       0.478923     -5.035997      6.414982
  C      -0.439293     -3.999441      7.077955
  C      -1.825385     -3.959023      6.428752
  H      -0.715775     -2.603664      0.819828
  H      -0.947896     -0.931592      1.250235
  H      -0.026474     -3.086279      3.234521
  H      -0.185681     -1.372509      3.593663
  H       1.624452     -2.435152      1.351659
  H       1.561845     -0.783227      1.969439
  H       2.348467     -1.700056      4.248642
  H       3.527252     -1.845668      2.910522
  H      -3.978485     -1.417738      3.350646
  H      -2.346107     -1.208205      3.967132
  H      -2.001526      0.605734      2.198233
  H      -3.373136      0.937567      3.248790
  H      -3.961251      1.302787      0.820410
  H      -4.957805      0.050176      1.575877
  H      -2.519098     -0.424897     -0.228868
  H      -4.201191     -0.744915     -0.640651
  H      -3.032751     -2.839165      0.023154
  H      -4.392397     -2.471672      1.100799
  H      -8.759823     -5.297574      4.700968
  H      -7.714033     -6.383475      3.812168
  H      -7.181163     -5.058834      6.519641
  H      -5.838452     -5.611198      5.535216
  H      -6.395576     -7.379795      7.087314
  H      -6.808056     -7.923464      5.454622
  H      -9.226814     -7.428245      5.883026
  H      -8.812312     -6.816742      7.509296
  H      -6.678283     -3.069319      5.351789
  H      -8.340472     -2.929566      4.819216
  H      -7.047306     -0.839567      4.307787
  H      -5.968369     -1.762390      3.247256
  H      -7.672950     -0.682966      1.863616
  H      -8.971060     -1.384101      2.838673
  H      -6.953087     -2.932752      1.120001
  H      -8.680246     -2.746441      0.792886
  H      -8.336439     -4.965333      1.837872
  H      -9.220056     -3.929487      2.936341
  H      -4.515985     -4.586512      7.181288
  H      -4.225066     -6.284613      7.533741
  H      -2.627445     -5.648082      9.363553
  H      -2.868815     -3.940568      8.991711
  H      -5.084418     -5.883303      9.868903
  H      -5.302835     -4.159469      9.540130
  H      -3.680276     -3.615516     11.406666
  H      -5.136952     -4.496378     11.955009
  H      -2.043211     -7.414148      6.801759
  H      -1.332231     -6.288691      7.921373
  H      -0.553648     -6.292889      4.965810
  H       0.324827     -7.208767      6.184379
  H       1.300484     -5.282094      7.104347
  H       0.947993     -4.606292      5.518018
  H       0.012818     -2.997910      7.016812
  H      -0.543359     -4.217077      8.152347
  H      -2.409064     -3.161904      6.912969
  H      -1.707937     -3.659849      5.374901
  N      -4.424871     -2.866298      5.179892
  H      -4.196371     -2.915480      6.174920
  H      -4.959132     -2.009263      5.022304
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.718272357073
  N      -2.588331     -3.615301      2.617241
  C      -1.854984     -4.621900      1.831361
  C      -2.229341     -6.028053      2.266441
  N      -3.666398     -6.045410      2.603185
  C      -4.525758     -5.840253      1.429084
  C      -5.893576     -5.393207      1.893961
  N      -5.822541     -4.508883      3.074029
  Mo     -3.992415     -4.232144      3.880931
  N      -3.242032     -5.564375      5.142940
  C      -3.399488     -6.990095      4.820728
  C      -4.068783     -7.168482      3.465303
  H      -3.997703     -7.505596      5.591519
  H      -2.414428     -7.482403      4.809670
  H      -5.160939     -7.129217      3.567722
  H      -3.799494     -8.140688      3.017513
  H      -6.384114     -4.890164      1.047245
  H      -6.516781     -6.274960      2.125673
  H      -4.061467     -5.054654      0.820864
  H      -4.597504     -6.753355      0.811976
  H      -0.765959     -4.507098      1.953094
  H      -2.060880     -4.487318      0.755572
  H      -1.669892     -6.303384      3.168028
  H      -1.994618     -6.765074      1.479058
  C      -2.455078     -2.226099      2.041937
  C      -0.985048     -1.955762      1.643578
  C       0.060243     -2.087214      2.749315
  C       1.468114     -1.828672      2.210176
  C       2.583720     -2.151419      3.184630
  Cl      2.739220     -3.943109      3.442215
  C      -2.929054     -1.158202      3.038670
  C      -2.975208      0.254986      2.449598
  C      -3.894718      0.295042      1.227515
  C      -3.464481     -0.736726      0.184009
  C      -3.371993     -2.140424      0.792664
  C      -7.219024     -4.272367      3.618820
  C      -7.676006     -5.502797      4.441091
  C      -6.884286     -5.784727      5.716150
  C      -7.032896     -7.221215      6.232728
  C      -8.448670     -7.537389      6.681099
  Cl     -8.564490     -9.218018      7.332439
  C      -7.320795     -3.002186      4.476834
  C      -7.054650     -1.715459      3.690964
  C      -8.021435     -1.561017      2.515775
  C      -7.986734     -2.810241      1.633995
  C      -8.244148     -4.066684      2.465896
  C      -2.616954     -5.302902      6.501695
  C      -3.766451     -5.273640      7.538319
  C      -3.385799     -4.920581      8.975679
  C      -4.607259     -4.894163      9.893989
  C      -4.283893     -4.555961     11.337850
  Cl     -3.248536     -5.825428     12.113320
  C      -1.615477     -6.423954      6.871436
  C      -0.324656     -6.331041      6.060045
  C       0.464863     -5.061070      6.447529
  C      -0.445574     -4.015933      7.108409
  C      -1.825710     -3.956758      6.449058
  H      -0.709902     -2.611983      0.801828
  H      -0.936103     -0.938005      1.229960
  H       0.019804     -3.092209      3.200418
  H      -0.147502     -1.379341      3.568614
  H       1.630962     -2.404588      1.284202
  H       1.570460     -0.764110      1.933494
  H       2.410826     -1.719032      4.178615
  H       3.561319     -1.825670      2.811899
  H      -3.957271     -1.400721      3.335795
  H      -2.324370     -1.196424      3.956210
  H      -1.965332      0.603113      2.176218
  H      -3.337303      0.950523      3.222594
  H      -3.916360      1.304082      0.788576
  H      -4.926858      0.067875      1.554080
  H      -2.492495     -0.445989     -0.247690
  H      -4.178488     -0.755173     -0.654143
  H      -3.030562     -2.854170      0.025940
  H      -4.381033     -2.461964      1.107700
  H      -8.739109     -5.345661      4.685797
  H      -7.658598     -6.395799      3.791427
  H      -7.170612     -5.078417      6.512956
  H      -5.814741     -5.603551      5.529654
  H      -6.348035     -7.385359      7.079768
  H      -6.739780     -7.933007      5.442272
  H      -9.170305     -7.482274      5.857034
  H      -8.776461     -6.869166      7.488366
  H      -6.683554     -3.080018      5.365701
  H      -8.356841     -2.973043      4.855628
  H      -7.121606     -0.844636      4.363406
  H      -6.030704     -1.724358      3.277414
  H      -7.771356     -0.664205      1.928040
  H      -9.045845     -1.413307      2.900360
  H      -7.000865     -2.878099      1.140447
  H      -8.735233     -2.735827      0.830161
  H      -8.322517     -4.963006      1.835185
  H      -9.227051     -3.968039      2.955140
  H      -4.529791     -4.560336      7.188117
  H      -4.257216     -6.262294      7.533760
  H      -2.665032     -5.647815      9.377377
  H      -2.889539     -3.935914      9.010012
  H      -5.129770     -5.864321      9.857999
  H      -5.328538     -4.135344      9.538578
  H      -3.721278     -3.617120     11.423142
  H      -5.188817     -4.492065     11.953005
  H      -2.087855     -7.412432      6.804485
  H      -1.369568     -6.301507      7.935863
  H      -0.569690     -6.302761      4.984700
  H       0.287323     -7.231964      6.209394
  H       1.280178     -5.318738      7.140302
  H       0.943114     -4.632361      5.554825
  H       0.019310     -3.019633      7.054140
  H      -0.560640     -4.236552      8.181382
  H      -2.404110     -3.153109      6.928517
  H      -1.696495     -3.657894      5.396358
  N      -4.415016     -2.850090      5.180888
  H      -4.242815     -2.930341      6.185119
  H      -4.904724     -1.968688      5.014059
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.718759058835
  N      -2.583129     -3.645817      2.589946
  C      -1.853992     -4.662865      1.812282
  C      -2.242052     -6.063843      2.254844
  N      -3.679199     -6.061202      2.596862
  C      -4.541987     -5.851114      1.424724
  C      -5.902269     -5.381271      1.892581
  N      -5.817714     -4.500989      3.075910
  Mo     -3.981216     -4.238219      3.869061
  N      -3.238790     -5.569710      5.135377
  C      -3.413012     -6.995949      4.818707
  C      -4.091512     -7.174859      3.467665
  H      -4.015226     -7.503174      5.592158
  H      -2.433802     -7.498771      4.806934
  H      -5.182417     -7.122585      3.574730
  H      -3.835394     -8.152724      3.025092
  H      -6.381077     -4.866579      1.046466
  H      -6.542017     -6.252384      2.120148
  H      -4.069775     -5.076041      0.809775
  H      -4.628590     -6.766517      0.813405
  H      -0.764672     -4.556342      1.938569
  H      -2.053172     -4.533180      0.735007
  H      -1.682493     -6.341481      3.155586
  H      -2.018539     -6.807376      1.470651
  C      -2.452587     -2.260087      2.008474
  C      -0.979309     -1.969749      1.641728
  C       0.041116     -2.070388      2.773982
  C       1.456933     -1.791148      2.266615
  C       2.555315     -2.096482      3.265820
  Cl      2.727102     -3.885521      3.534153
  C      -2.967756     -1.193375      2.986278
  C      -3.016050      0.215593      2.389190
  C      -3.901512      0.238832      1.141004
  C      -3.435101     -0.796431      0.115954
  C      -3.343455     -2.193674      0.738166
  C      -7.206634     -4.251598      3.635459
  C      -7.670889     -5.490843      4.438976
  C      -6.887347     -5.786120      5.715802
  C      -7.045503     -7.222698      6.227633
  C      -8.465299     -7.534050      6.666726
  Cl     -8.592009     -9.216202      7.313246
  C      -7.284145     -2.996461      4.520633
  C      -7.015162     -1.694345      3.759608
  C      -7.995580     -1.506417      2.600641
  C      -7.982762     -2.736313      1.690954
  C      -8.240310     -4.010536      2.497449
  C      -2.609676     -5.303003      6.490655
  C      -3.756261     -5.292890      7.531351
  C      -3.379404     -4.935396      8.968359
  C      -4.601311     -4.936325      9.886674
  C      -4.286082     -4.601223     11.333037
  Cl     -3.225373     -5.854109     12.101781
  C      -1.593195     -6.409234      6.860960
  C      -0.298575     -6.293810      6.057909
  C       0.467985     -5.011381      6.452493
  C      -0.463379     -3.979328      7.105110
  C      -1.838850     -3.943648      6.435649
  H      -0.672974     -2.631932      0.816076
  H      -0.938258     -0.956394      1.217301
  H       0.007880     -3.071447      3.234051
  H      -0.199773     -1.357662      3.579845
  H       1.649572     -2.364952      1.345127
  H       1.549331     -0.725142      1.992477
  H       2.355789     -1.661826      4.253744
  H       3.536398     -1.760103      2.912481
  H      -4.001519     -1.449406      3.252097
  H      -2.388867     -1.219767      3.920746
  H      -2.003517      0.575588      2.143292
  H      -3.409193      0.909078      3.148611
  H      -3.918550      1.244385      0.694340
  H      -4.941002      0.005572      1.440574
  H      -2.456198     -0.498896     -0.294455
  H      -4.128237     -0.829410     -0.739036
  H      -2.979921     -2.911123     -0.014611
  H      -4.355590     -2.520438      1.035364
  H      -8.735449     -5.336953      4.677922
  H      -7.645278     -6.374817      3.776839
  H      -7.173603     -5.081228      6.513891
  H      -5.816443     -5.610162      5.532789
  H      -6.367557     -7.390647      7.079340
  H      -6.750082     -7.934488      5.438161
  H      -9.181781     -7.473791      5.838684
  H      -8.794805     -6.866697      7.473884
  H      -6.629750     -3.097988      5.394659
  H      -8.312946     -2.965319      4.917213
  H      -7.065238     -0.838220      4.451680
  H      -5.996419     -1.705655      3.334107
  H      -7.743063     -0.599613      2.029288
  H      -9.013780     -1.357943      3.000147
  H      -7.004208     -2.798583      1.183404
  H      -8.741119     -2.638801      0.899169
  H      -8.331977     -4.891081      1.847667
  H      -9.217059     -3.914566      2.999259
  H      -4.534612     -4.594378      7.185857
  H      -4.229700     -6.289872      7.526821
  H      -2.644384     -5.649638      9.367468
  H      -2.903273     -3.941046      9.004204
  H      -5.106079     -5.915468      9.843508
  H      -5.335388     -4.187850      9.535725
  H      -3.743365     -3.651401     11.424475
  H      -5.192620     -4.560001     11.947585
  H      -2.049175     -7.404690      6.788512
  H      -1.354169     -6.285969      7.926966
  H      -0.534845     -6.269114      4.980914
  H       0.326407     -7.184702      6.212874
  H       1.281949     -5.256454      7.151070
  H       0.946068     -4.574852      5.563357
  H      -0.013359     -2.976309      7.051554
  H      -0.582977     -4.199291      8.177660
  H      -2.435675     -3.146138      6.902592
  H      -1.706016     -3.650612      5.381728
  N      -4.375771     -2.854124      5.164150
  H      -4.243996     -2.957090      6.173291
  H      -4.811403     -1.945197      4.990261
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.719301680822
  N      -2.598371     -3.644622      2.572717
  C      -1.858388     -4.656681      1.800387
  C      -2.246969     -6.060298      2.237610
  N      -3.683088     -6.059477      2.582060
  C      -4.548976     -5.849510      1.412088
  C      -5.909118     -5.376743      1.881703
  N      -5.824514     -4.508385      3.072580
  Mo     -3.987181     -4.240231      3.861688
  N      -3.236198     -5.571914      5.124832
  C      -3.412263     -6.997065      4.803229
  C      -4.092807     -7.174343      3.452369
  H      -4.013629     -7.508726      5.574781
  H      -2.433004     -7.499037      4.788070
  H      -5.183149     -7.123640      3.560391
  H      -3.835975     -8.151678      3.009015
  H      -6.380781     -4.848614      1.038782
  H      -6.555028     -6.246010      2.097009
  H      -4.076861     -5.076277      0.795532
  H      -4.637858     -6.765191      0.801609
  H      -0.770531     -4.546448      1.940013
  H      -2.045227     -4.525076      0.721503
  H      -1.687151     -6.340554      3.136903
  H      -2.023453     -6.801283      1.451123
  C      -2.463525     -2.257056      2.001465
  C      -0.985265     -1.959586      1.667541
  C       0.012339     -2.089444      2.816051
  C       1.436271     -1.785560      2.346635
  C       2.518209     -2.133433      3.349816
  Cl      2.691386     -3.932203      3.538980
  C      -3.009506     -1.204303      2.978135
  C      -3.045816      0.211999      2.397635
  C      -3.896472      0.251532      1.125601
  C      -3.406609     -0.774806      0.102493
  C      -3.329095     -2.178562      0.712475
  C      -7.213594     -4.257281      3.629895
  C      -7.675482     -5.492545      4.442348
  C      -6.906558     -5.757193      5.734004
  C      -7.056826     -7.184111      6.272763
  C      -8.479074     -7.501545      6.699695
  Cl     -8.596240     -9.171264      7.379513
  C      -7.296629     -2.995482      4.505582
  C      -7.037065     -1.698485      3.734571
  C      -8.015661     -1.525462      2.572022
  C      -7.990596     -2.761644      1.671025
  C      -8.242947     -4.030898      2.485985
  C      -2.593363     -5.307925      6.473880
  C      -3.731222     -5.293257      7.524914
  C      -3.342637     -4.928176      8.957089
  C      -4.556979     -4.929468      9.885849
  C      -4.231119     -4.591450     11.329125
  Cl     -3.159709     -5.839297     12.090775
  C      -1.578899     -6.415958      6.844289
  C      -0.281717     -6.304898      6.045619
  C       0.485772     -5.024578      6.444394
  C      -0.447115     -3.988821      7.089385
  C      -1.818554     -3.951125      6.411989
  H      -0.663750     -2.606234      0.835683
  H      -0.935511     -0.937956      1.265563
  H      -0.025455     -3.105128      3.241100
  H      -0.249344     -1.403840      3.638452
  H       1.646754     -2.316163      1.403663
  H       1.530391     -0.708074      2.123797
  H       2.300217     -1.744295      4.352514
  H       3.503816     -1.778872      3.028791
  H      -4.051766     -1.469852      3.205881
  H      -2.457947     -1.240653      3.928335
  H      -2.027849      0.576474      2.185368
  H      -3.462047      0.894110      3.154763
  H      -3.897364      1.261563      0.689426
  H      -4.943656      0.020068      1.393635
  H      -2.418845     -0.474152     -0.282742
  H      -4.079961     -0.799262     -0.768215
  H      -2.951578     -2.888257     -0.040098
  H      -4.346537     -2.506927      0.986791
  H      -8.745685     -5.352990      4.662431
  H      -7.622726     -6.383342      3.791771
  H      -7.210135     -5.039636      6.513863
  H      -5.835556     -5.573809      5.558583
  H      -6.389395     -7.325972      7.136782
  H      -6.743162     -7.909538      5.503347
  H      -9.185030     -7.466302      5.861501
  H      -8.825936     -6.821553      7.488561
  H      -6.632813     -3.083636      5.373521
  H      -8.322914     -2.968174      4.907791
  H      -7.092599     -0.837869      4.419967
  H      -6.018350     -1.710690      3.312858
  H      -7.766255     -0.621767      1.994567
  H      -9.035958     -1.380774      2.966566
  H      -7.009695     -2.820754      1.167809
  H      -8.746985     -2.676311      0.876231
  H      -8.323510     -4.916466      1.842053
  H      -9.222784     -3.937811      2.981913
  H      -4.515200     -4.598399      7.185110
  H      -4.203443     -6.290556      7.529008
  H      -2.602247     -5.638395      9.352781
  H      -2.869941     -3.932254      8.983914
  H      -5.060224     -5.909239      9.847907
  H      -5.294390     -4.182213      9.540166
  H      -3.691498     -3.639525     11.414378
  H      -5.132702     -4.552935     11.950801
  H      -2.036295     -7.410196      6.771275
  H      -1.340150     -6.293173      7.910293
  H      -0.512003     -6.281357      4.967680
  H       0.339870     -7.197026      6.206326
  H       1.294583     -5.271511      7.147908
  H       0.970449     -4.590086      5.558543
  H       0.006450     -2.987625      7.035446
  H      -0.573458     -4.205695      8.161627
  H      -2.417461     -3.147941      6.865500
  H      -1.678879     -3.669282      5.356110
  N      -4.377419     -2.866476      5.166971
  H      -4.288437     -2.997075      6.178095
  H      -4.767551     -1.936089      4.995459
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.719715043654
  N      -2.611265     -3.647191      2.557543
  C      -1.865053     -4.658344      1.793166
  C      -2.257913     -6.061418      2.231079
  N      -3.692570     -6.055880      2.577260
  C      -4.557201     -5.848207      1.406639
  C      -5.916794     -5.366572      1.872617
  N      -5.831333     -4.503867      3.065750
  Mo     -3.994844     -4.236587      3.856374
  N      -3.239694     -5.565848      5.122511
  C      -3.424198     -6.989343      4.802156
  C      -4.104996     -7.167086      3.450777
  H      -4.027272     -7.499313      5.573668
  H      -2.446468     -7.494908      4.786815
  H      -5.195238     -7.113618      3.557699
  H      -3.850070     -8.146612      3.010641
  H      -6.380410     -4.829370      1.029841
  H      -6.569463     -6.231886      2.081399
  H      -4.080518     -5.080960      0.785792
  H      -4.649907     -6.767323      0.801832
  H      -0.778392     -4.546599      1.943398
  H      -2.041605     -4.527949      0.712364
  H      -1.698760     -6.342712      3.130229
  H      -2.037859     -6.803669      1.444799
  C      -2.470026     -2.263114      1.991035
  C      -0.986385     -1.954032      1.696369
  C      -0.015058     -2.095598      2.866029
  C       1.412070     -1.746513      2.438663
  C       2.483076     -2.127415      3.441584
  Cl      2.692493     -3.929514      3.531116
  C      -3.058223     -1.222638      2.956048
  C      -3.092868      0.197649      2.386023
  C      -3.902931      0.238481      1.088059
  C      -3.375069     -0.779302      0.075116
  C      -3.302591     -2.185782      0.679415
  C      -7.217960     -4.258147      3.627862
  C      -7.675572     -5.500827      4.435609
  C      -6.908910     -5.759264      5.730056
  C      -7.057831     -7.181405      6.280326
  C      -8.480782     -7.497488      6.706426
  Cl     -8.595677     -9.160322      7.402963
  C      -7.300451     -3.001099      4.510006
  C      -7.046770     -1.699858      3.745187
  C      -8.024190     -1.523497      2.582418
  C      -7.994603     -2.755446      1.675803
  C      -8.246537     -4.027804      2.484835
  C      -2.578440     -5.308358      6.461058
  C      -3.707313     -5.273832      7.522762
  C      -3.309011     -4.900035      8.950000
  C      -4.521066     -4.887725      9.881999
  C      -4.188917     -4.549567     11.323810
  Cl     -3.126341     -5.804589     12.085228
  C      -1.580092     -6.432352      6.827559
  C      -0.283654     -6.343302      6.025657
  C       0.504373     -5.075556      6.423784
  C      -0.411907     -4.022599      7.065418
  C      -1.781371     -3.966002      6.386000
  H      -0.641305     -2.590335      0.865572
  H      -0.932175     -0.927425      1.308254
  H      -0.041343     -3.124128      3.259432
  H      -0.310848     -1.439222      3.700621
  H       1.648416     -2.224507      1.474005
  H       1.491182     -0.657690      2.272785
  H       2.239014     -1.799619      4.460135
  H       3.466105     -1.735051      3.158971
  H      -4.106743     -1.506220      3.139249
  H      -2.538421     -1.259712      3.923702
  H      -2.072750      0.574147      2.209766
  H      -3.541358      0.868650      3.134621
  H      -3.895380      1.250844      0.657498
  H      -4.956335     -0.000151      1.321875
  H      -2.379779     -0.468918     -0.281834
  H      -4.023847     -0.805431     -0.813938
  H      -2.900989     -2.888196     -0.067134
  H      -4.323802     -2.523157      0.926598
  H      -8.748380     -5.374337      4.649904
  H      -7.606369     -6.388454      3.783084
  H      -7.214268     -5.036626      6.504291
  H      -5.837460     -5.577445      5.552322
  H      -6.392916     -7.312224      7.148275
  H      -6.740408     -7.913916      5.519368
  H      -9.184530     -7.472566      5.866069
  H      -8.830999     -6.810465      7.487625
  H      -6.626162     -3.089500      5.369083
  H      -8.323585     -2.980005      4.920424
  H      -7.104313     -0.843480      4.435324
  H      -6.027042     -1.710254      3.326594
  H      -7.776045     -0.616792      2.009222
  H      -9.045513     -1.383499      2.975955
  H      -7.012386     -2.811231      1.174190
  H      -8.750357     -2.669142      0.880487
  H      -8.323205     -4.910010      1.835692
  H      -9.227371     -3.938391      2.979312
  H      -4.489793     -4.576199      7.184770
  H      -4.188067     -6.266892      7.538107
  H      -2.572188     -5.612318      9.348089
  H      -2.830354     -3.906967      8.967261
  H      -5.033622     -5.862864      9.846093
  H      -5.251465     -4.133687      9.536532
  H      -3.641347     -3.601923     11.405466
  H      -5.088761     -4.502526     11.947359
  H      -2.053145     -7.419327      6.755453
  H      -1.334934     -6.313937      7.892331
  H      -0.514935     -6.318032      4.947825
  H       0.323692     -7.244966      6.187845
  H       1.307901     -5.335420      7.128695
  H       0.997213     -4.650579      5.537978
  H       0.058563     -3.029406      7.007145
  H      -0.541989     -4.232862      8.138410
  H      -2.369596     -3.147851      6.825057
  H      -1.634751     -3.701716      5.326524
  N      -4.380184     -2.862598      5.166717
  H      -4.339779     -3.014469      6.177582
  H      -4.725114     -1.914868      4.994440
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.719995593010
  N      -2.629472     -3.647518      2.545910
  C      -1.881949     -4.657289      1.782719
  C      -2.275823     -6.060419      2.218049
  N      -3.708216     -6.052844      2.568523
  C      -4.573066     -5.850028      1.398045
  C      -5.931288     -5.363525      1.862304
  N      -5.844217     -4.498298      3.052823
  Mo     -4.010431     -4.234980      3.849933
  N      -3.251516     -5.563561      5.116158
  C      -3.436609     -6.985996      4.793771
  C      -4.118521     -7.163492      3.443160
  H      -4.037764     -7.497990      5.565436
  H      -2.458063     -7.490237      4.776319
  H      -5.208852     -7.111267      3.549656
  H      -3.862389     -8.142812      3.002857
  H      -6.393413     -4.825210      1.019470
  H      -6.585409     -6.226622      2.073725
  H      -4.093781     -5.088859      0.771478
  H      -4.668044     -6.773887      0.800791
  H      -0.796118     -4.544537      1.937844
  H      -2.054267     -4.523828      0.701607
  H      -1.715436     -6.345411      3.115184
  H      -2.061425     -6.801740      1.429317
  C      -2.466592     -2.264073      1.987514
  C      -0.975975     -1.964298      1.720372
  C      -0.025560     -2.116387      2.905499
  C       1.404069     -1.740482      2.509615
  C       2.467129     -2.158375      3.506046
  Cl      2.693592     -3.960412      3.508615
  C      -3.065446     -1.225349      2.946478
  C      -3.081573      0.198936      2.385206
  C      -3.864991      0.254579      1.072075
  C      -3.325892     -0.763029      0.065552
  C      -3.275150     -2.173967      0.661902
  C      -7.230271     -4.258902      3.622293
  C      -7.669560     -5.501279      4.441727
  C      -6.891990     -5.740284      5.733211
  C      -7.028453     -7.156663      6.301024
  C      -8.446495     -7.476227      6.740746
  Cl     -8.545645     -9.129945      7.460767
  C      -7.318098     -2.996899      4.495817
  C      -7.087638     -1.698206      3.721213
  C      -8.071506     -1.539710      2.562165
  C      -8.032639     -2.777453      1.664715
  C      -8.268967     -4.044918      2.484707
  C      -2.579684     -5.310119      6.449238
  C      -3.699492     -5.281901      7.521419
  C      -3.293263     -4.892816      8.942696
  C      -4.495539     -4.895478      9.887560
  C      -4.153158     -4.550837     11.325215
  Cl     -3.065759     -5.790239     12.076732
  C      -1.576666     -6.432902      6.807940
  C      -0.280774     -6.336408      6.006659
  C       0.502708     -5.068820      6.412727
  C      -0.419042     -4.018759      7.052187
  C      -1.786166     -3.967494      6.367550
  H      -0.620350     -2.600248      0.893502
  H      -0.907737     -0.936322      1.337396
  H      -0.045626     -3.152534      3.276998
  H      -0.345142     -1.480942      3.747388
  H       1.653938     -2.175411      1.528312
  H       1.477424     -0.645231      2.390576
  H       2.208620     -1.883168      4.536600
  H       3.449270     -1.743331      3.254525
  H      -4.119566     -1.508401      3.103265
  H      -2.562875     -1.270142      3.922733
  H      -2.055389      0.568341      2.230961
  H      -3.539419      0.868268      3.129659
  H      -3.837679      1.268934      0.647144
  H      -4.924976      0.026284      1.282753
  H      -2.321626     -0.459321     -0.271560
  H      -3.957804     -0.779620     -0.835762
  H      -2.865762     -2.873676     -0.082515
  H      -4.302877     -2.505961      0.888966
  H      -8.743054     -5.388128      4.659584
  H      -7.589352     -6.392343      3.795911
  H      -7.194763     -5.009965      6.501035
  H      -5.822054     -5.556525      5.544716
  H      -6.356961     -7.271424      7.165888
  H      -6.711401     -7.896771      5.547467
  H      -9.156150     -7.467629      5.905104
  H      -8.796030     -6.780852      7.514771
  H      -6.631313     -3.069214      5.346015
  H      -8.336420     -2.987176      4.918643
  H      -7.150814     -0.838754      4.406831
  H      -6.069582     -1.700615      3.299928
  H      -7.837677     -0.633878      1.981839
  H      -9.092582     -1.409604      2.959993
  H      -7.052028     -2.828732      1.159620
  H      -8.792804     -2.704970      0.872209
  H      -8.343123     -4.931975      1.842199
  H      -9.247448     -3.959740      2.984619
  H      -4.495754     -4.598372      7.187357
  H      -4.166862     -6.281144      7.547810
  H      -2.540758     -5.590520      9.337175
  H      -2.831094     -3.892014      8.949347
  H      -4.995221     -5.877276      9.857766
  H      -5.239372     -4.151734      9.548704
  H      -3.617760     -3.595761     11.400171
  H      -5.046981     -4.515209     11.958051
  H      -2.046351     -7.421104      6.731374
  H      -1.331125     -6.319325      7.873107
  H      -0.511682     -6.307256      4.928736
  H       0.329446     -7.236856      6.164653
  H       1.302242     -5.330146      7.121660
  H       1.000202     -4.641021      5.531333
  H       0.048802     -3.024183      6.994761
  H      -0.551222     -4.228770      8.124789
  H      -2.380358     -3.147426      6.793994
  H      -1.635373     -3.713810      5.305814
  N      -4.394547     -2.868012      5.166790
  H      -4.403712     -3.040666      6.174701
  H      -4.695513     -1.905132      4.997985
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720234234513
  N      -2.647435     -3.653022      2.535595
  C      -1.895382     -4.660308      1.772797
  C      -2.281891     -6.064543      2.209193
  N      -3.712495     -6.061335      2.565563
  C      -4.579779     -5.870183      1.394938
  C      -5.938210     -5.384415      1.857231
  N      -5.851154     -4.510285      3.041643
  Mo     -4.021240     -4.243681      3.845285
  N      -3.250514     -5.565243      5.112672
  C      -3.429473     -6.988926      4.791897
  C      -4.114321     -7.172033      3.443947
  H      -4.024180     -7.503725      5.566609
  H      -2.448027     -7.487505      4.770920
  H      -5.204870     -7.125839      3.552240
  H      -3.853596     -8.150568      3.004441
  H      -6.403640     -4.852306      1.012848
  H      -6.588875     -6.248096      2.076493
  H      -4.102675     -5.114034      0.760442
  H      -4.672760     -6.800340      0.807173
  H      -0.810573     -4.541643      1.928883
  H      -2.067631     -4.527202      0.691752
  H      -1.716849     -6.348511      3.103903
  H      -2.070465     -6.805409      1.419200
  C      -2.470765     -2.265774      1.991065
  C      -0.976645     -1.965971      1.740921
  C      -0.036407     -2.131471      2.932182
  C       1.390661     -1.721501      2.559885
  C       2.455502     -2.180912      3.536025
  Cl      2.702057     -3.977716      3.437788
  C      -3.075518     -1.236009      2.955992
  C      -3.087845      0.194527      2.410074
  C      -3.856461      0.267032      1.089113
  C      -3.308141     -0.741325      0.079137
  C      -3.266860     -2.159217      0.659501
  C      -7.238440     -4.268240      3.612583
  C      -7.681600     -5.507852      4.433387
  C      -6.911942     -5.741470      5.730551
  C      -7.063714     -7.151016      6.311909
  C      -8.486638     -7.454148      6.747381
  Cl     -8.602971     -9.098012      7.487015
  C      -7.326431     -3.005376      4.484344
  C      -7.094111     -1.707162      3.710859
  C      -8.072006     -1.547885      2.547420
  C      -8.032865     -2.786907      1.652310
  C      -8.276065     -4.052214      2.473936
  C      -2.567117     -5.308754      6.439105
  C      -3.678641     -5.280861      7.519576
  C      -3.268413     -4.869667      8.933207
  C      -4.463764     -4.884577      9.886664
  C      -4.116600     -4.526998     11.319856
  Cl     -3.007357     -5.747161     12.070963
  C      -1.560742     -6.429579      6.795940
  C      -0.265076     -6.329669      5.994869
  C       0.515925     -5.061730      6.403749
  C      -0.410061     -4.010646      7.036197
  C      -1.774675     -3.967084      6.346045
  H      -0.614324     -2.593019      0.910345
  H      -0.902453     -0.933580      1.370054
  H      -0.041353     -3.177322      3.275911
  H      -0.376786     -1.525043      3.786957
  H       1.646096     -2.105467      1.559118
  H       1.453697     -0.621144      2.494595
  H       2.191160     -1.967328      4.579714
  H       3.433626     -1.741181      3.312146
  H      -4.130413     -1.524353      3.103639
  H      -2.575584     -1.288857      3.933255
  H      -2.059275      0.563450      2.269409
  H      -3.550928      0.856411      3.157971
  H      -3.819409      1.285700      0.675266
  H      -4.920064      0.041333      1.283322
  H      -2.299173     -0.436922     -0.243290
  H      -3.929456     -0.746777     -0.829781
  H      -2.851763     -2.849661     -0.090079
  H      -4.297535     -2.492565      0.872430
  H      -8.756542     -5.394367      4.643896
  H      -7.596714     -6.401885      3.792197
  H      -7.210302     -5.000660      6.490043
  H      -5.839210     -5.571765      5.545496
  H      -6.397403     -7.261450      7.181618
  H      -6.748830     -7.901602      5.567967
  H      -9.191652     -7.450299      5.907802
  H      -8.835039     -6.746411      7.510686
  H      -6.640469     -3.075990      5.335153
  H      -8.344940     -2.996739      4.907270
  H      -7.160062     -0.848059      4.396750
  H      -6.072671     -1.710323      3.297573
  H      -7.836365     -0.642336      1.967465
  H      -9.094609     -1.417053      2.941619
  H      -7.050523     -2.842781      1.151577
  H      -8.789606     -2.713372      0.856556
  H      -8.354446     -4.939750      1.832526
  H      -9.254695     -3.962201      2.972840
  H      -4.487264     -4.613170      7.183603
  H      -4.132067     -6.286095      7.561634
  H      -2.500407     -5.549823      9.328958
  H      -2.824011     -3.860845      8.926301
  H      -4.949425     -5.873805      9.865260
  H      -5.220730     -4.153758      9.548579
  H      -3.593804     -3.564304     11.386211
  H      -5.006575     -4.499879     11.958562
  H      -2.027932     -7.418993      6.719441
  H      -1.315923     -6.315978      7.861508
  H      -0.496319     -6.299778      4.916912
  H       0.347203     -7.229106      6.150662
  H       1.310300     -5.322904      7.118625
  H       1.019847     -4.636027      5.525004
  H       0.055741     -3.015208      6.975595
  H      -0.544495     -4.215761      8.109354
  H      -2.372927     -3.142389      6.757126
  H      -1.618582     -3.728467      5.281558
  N      -4.407397     -2.876122      5.159971
  H      -4.459264     -3.058076      6.164931
  H      -4.652875     -1.897619      4.990622
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720438902998
  N      -2.662672     -3.659211      2.528847
  C      -1.908178     -4.664160      1.763361
  C      -2.290771     -6.070262      2.196030
  N      -3.720618     -6.067749      2.557211
  C      -4.590093     -5.877230      1.387573
  C      -5.947134     -5.391333      1.851746
  N      -5.853939     -4.513703      3.033739
  Mo     -4.027014     -4.253993      3.843541
  N      -3.249577     -5.578478      5.102944
  C      -3.430534     -7.001688      4.780013
  C      -4.120612     -7.180320      3.434463
  H      -4.021193     -7.517957      5.556769
  H      -2.449524     -7.500869      4.752285
  H      -5.211103     -7.133289      3.546027
  H      -3.862380     -8.157873      2.991289
  H      -6.416105     -4.861122      1.008743
  H      -6.596835     -6.255030      2.075515
  H      -4.113892     -5.122469      0.750358
  H      -4.684012     -6.808790      0.802145
  H      -0.823916     -4.542123      1.918337
  H      -2.082290     -4.528594      0.682793
  H      -1.721110     -6.358399      3.086704
  H      -2.083883     -6.807864      1.401762
  C      -2.478827     -2.268936      1.994319
  C      -0.981700     -1.963362      1.766406
  C      -0.057909     -2.132236      2.970381
  C       1.369640     -1.694676      2.630553
  C       2.426910     -2.190457      3.597543
  Cl      2.684373     -3.980166      3.421601
  C      -3.100761     -1.243763      2.953850
  C      -3.114609      0.187863      2.411654
  C      -3.861549      0.261079      1.078325
  C      -3.292719     -0.742663      0.075339
  C      -3.255799     -2.161837      0.652598
  C      -7.238809     -4.267249      3.610745
  C      -7.679448     -5.504376      4.433981
  C      -6.903095     -5.738950      5.726882
  C      -7.069755     -7.142825      6.319096
  C      -8.493543     -7.424738      6.765638
  Cl     -8.625653     -9.060266      7.520822
  C      -7.321846     -3.002364      4.480053
  C      -7.087169     -1.705607      3.704690
  C      -8.064073     -1.545809      2.540719
  C      -8.031231     -2.787308      1.649065
  C      -8.279249     -4.049748      2.474798
  C      -2.556815     -5.320598      6.424501
  C      -3.662949     -5.290949      7.509946
  C      -3.252588     -4.851304      8.914773
  C      -4.441178     -4.876239      9.876265
  C      -4.090825     -4.496515     11.302931
  Cl     -2.957464     -5.690060     12.061032
  C      -1.547943     -6.439598      6.781240
  C      -0.250117     -6.333747      5.983954
  C       0.527397     -5.065449      6.398462
  C      -0.404910     -4.013073      7.020010
  C      -1.765074     -3.979844      6.320823
  H      -0.606224     -2.584431      0.937482
  H      -0.903620     -0.928667      1.402189
  H      -0.049790     -3.184405      3.296176
  H      -0.424925     -1.548483      3.829478
  H       1.637154     -2.035950      1.617610
  H       1.425627     -0.592306      2.610634
  H       2.149838     -2.026897      4.647030
  H       3.404865     -1.735316      3.405898
  H      -4.154477     -1.540156      3.092171
  H      -2.607625     -1.293297      3.934744
  H      -2.085305      0.561576      2.287336
  H      -3.590752      0.845842      3.154749
  H      -3.819655      1.280977      0.667787
  H      -4.928625      0.032564      1.252414
  H      -2.279299     -0.434235     -0.228969
  H      -3.898130     -0.748000     -0.844392
  H      -2.826621     -2.848013     -0.093160
  H      -4.288527     -2.500210      0.848459
  H      -8.753085     -5.388082      4.649988
  H      -7.600558     -6.400573      3.794463
  H      -7.184357     -4.988788      6.483849
  H      -5.829052     -5.587451      5.533248
  H      -6.398980     -7.255659      7.185234
  H      -6.768985     -7.902175      5.578199
  H      -9.203491     -7.419842      5.930221
  H      -8.828981     -6.705668      7.524241
  H      -6.636444     -3.071905      5.331292
  H      -8.339626     -2.991541      4.905316
  H      -7.152419     -0.845723      4.389891
  H      -6.063503     -1.710395      3.294871
  H      -7.826844     -0.641811      1.959005
  H      -9.086295     -1.411017      2.935169
  H      -7.049422     -2.849244      1.148270
  H      -8.787616     -2.712138      0.853054
  H      -8.365611     -4.938889      1.836181
  H      -9.255590     -3.953466      2.976987
  H      -4.483475     -4.641460      7.167313
  H      -4.101413     -6.302081      7.570206
  H      -2.467945     -5.509676      9.315290
  H      -2.828657     -3.833890      8.890399
  H      -4.910053     -5.873871      9.869326
  H      -5.213093     -4.162806      9.534628
  H      -3.583104     -3.524890     11.355433
  H      -4.977102     -4.476169     11.947091
  H      -2.011857     -7.430441      6.702775
  H      -1.307373     -6.326914      7.848176
  H      -0.478914     -6.301411      4.905450
  H       0.364347     -7.232153      6.137282
  H       1.313719     -5.326532      7.122358
  H       1.041605     -4.642434      5.523802
  H       0.057911     -3.016376      6.956633
  H      -0.544121     -4.212315      8.093583
  H      -2.367993     -3.149495      6.713122
  H      -1.600236     -3.758467      5.254114
  N      -4.404947     -2.893114      5.168238
  H      -4.500717     -3.090543      6.167471
  H      -4.587643     -1.898887      5.010659
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720582191627
  N      -2.687459     -3.651542      2.528142
  C      -1.925988     -4.650579      1.759768
  C      -2.293816     -6.060147      2.191398
  N      -3.723168     -6.069523      2.556163
  C      -4.594930     -5.889981      1.385505
  C      -5.955168     -5.415353      1.849040
  N      -5.862991     -4.524351      3.021356
  Mo     -4.043113     -4.260032      3.843926
  N      -3.251070     -5.580215      5.099259
  C      -3.419093     -7.004876      4.776501
  C      -4.112744     -7.186424      3.433487
  H      -4.000901     -7.527157      5.555880
  H      -2.433605     -7.495512      4.743219
  H      -5.203449     -7.146738      3.548581
  H      -3.849589     -8.161373      2.987553
  H      -6.434210     -4.898940      1.003453
  H      -6.594854     -6.283960      2.084115
  H      -4.126384     -5.132732      0.745332
  H      -4.680097     -6.824401      0.803364
  H      -0.842654     -4.518505      1.911466
  H      -2.105086     -4.515284      0.679872
  H      -1.717982     -6.345841      3.078926
  H      -2.084290     -6.794051      1.394471
  C      -2.488475     -2.256709      2.008644
  C      -0.986843     -1.966216      1.788804
  C      -0.069385     -2.172497      2.991922
  C       1.364781     -1.736063      2.677661
  C       2.410627     -2.306325      3.616176
  Cl      2.632694     -4.088332      3.338127
  C      -3.101696     -1.233231      2.976259
  C      -3.107663      0.202052      2.443942
  C      -3.849415      0.291527      1.108793
  C      -3.282535     -0.707319      0.100088
  C      -3.258942     -2.131711      0.665428
  C      -7.248596     -4.278045      3.597994
  C      -7.684853     -5.511050      4.427502
  C      -6.904036     -5.741792      5.718274
  C      -7.083370     -7.138668      6.324468
  C      -8.507750     -7.400608      6.780949
  Cl     -8.652992     -9.024793      7.557643
  C      -7.338712     -3.007779      4.458932
  C      -7.099151     -1.715811      3.678075
  C      -8.068184     -1.564630      2.506302
  C      -8.032860     -2.812897      1.623984
  C      -8.286500     -4.069261      2.458277
  C      -2.548833     -5.313705      6.414290
  C      -3.646081     -5.303101      7.509255
  C      -3.238801     -4.830346      8.904014
  C      -4.414520     -4.889113      9.879613
  C      -4.062382     -4.478793     11.297357
  Cl     -2.878034     -5.620962     12.056913
  C      -1.521754     -6.419346      6.760682
  C      -0.226362     -6.285506      5.963244
  C       0.533865     -5.011092      6.390121
  C      -0.416698     -3.971610      7.006572
  C      -1.774816     -3.963488      6.302392
  H      -0.618622     -2.576410      0.948692
  H      -0.892097     -0.926056      1.444620
  H      -0.067188     -3.234225      3.286267
  H      -0.441376     -1.614672      3.865688
  H       1.627968     -2.025190      1.647394
  H       1.439152     -0.635602      2.718886
  H       2.133843     -2.199925      4.673198
  H       3.397768     -1.859623      3.454106
  H      -4.154691     -1.524833      3.122787
  H      -2.600468     -1.288830      3.953065
  H      -2.075377      0.569665      2.324192
  H      -3.579623      0.857940      3.191461
  H      -3.798124      1.314690      0.707348
  H      -4.919267      0.069715      1.274668
  H      -2.264726     -0.403900     -0.194484
  H      -3.881961     -0.699942     -0.823553
  H      -2.830056     -2.813453     -0.084757
  H      -4.294979     -2.465380      0.852256
  H      -8.757488     -5.392540      4.647947
  H      -7.610839     -6.411500      3.792987
  H      -7.171517     -4.981655      6.470409
  H      -5.828699     -5.606449      5.518387
  H      -6.409099     -7.250945      7.187944
  H      -6.794313     -7.907399      5.588570
  H      -9.221401     -7.399137      5.948656
  H      -8.832574     -6.668193      7.531428
  H      -6.662961     -3.070890      5.318134
  H      -8.359874     -2.995943      4.876422
  H      -7.171598     -0.852066      4.357747
  H      -6.071072     -1.721106      3.279897
  H      -7.827873     -0.664627      1.919650
  H      -9.092782     -1.426267      2.893793
  H      -7.048108     -2.880201      1.129542
  H      -8.784013     -2.741953      0.822638
  H      -8.373895     -4.963522      1.826615
  H      -9.263584     -3.967555      2.957891
  H      -4.490351     -4.687087      7.163744
  H      -4.050910     -6.327138      7.587735
  H      -2.423780     -5.451645      9.303607
  H      -2.855828     -3.797288      8.862272
  H      -4.845033     -5.903873      9.890770
  H      -5.217371     -4.210500      9.538202
  H      -3.589558     -3.488915     11.332641
  H      -4.941552     -4.482259     11.951559
  H      -1.969765     -7.416988      6.674414
  H      -1.283838     -6.311485      7.829060
  H      -0.457831     -6.243973      4.885475
  H       0.401917     -7.176474      6.103791
  H       1.315207     -5.267518      7.121195
  H       1.052864     -4.580738      5.521616
  H       0.029777     -2.967495      6.942835
  H      -0.555012     -4.170978      8.080168
  H      -2.390647     -3.136472      6.680777
  H      -1.606647     -3.754119      5.233941
  N      -4.419601     -2.898792      5.171762
  H      -4.554627     -3.102910      6.165316
  H      -4.559670     -1.896611      5.020809
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720662195156
  N      -2.704042     -3.649526      2.522218
  C      -1.941490     -4.641520      1.744067
  C      -2.295850     -6.055504      2.172687
  N      -3.723153     -6.076564      2.544797
  C      -4.600239     -5.902380      1.376920
  C      -5.961507     -5.437414      1.845505
  N      -5.866038     -4.537663      3.010253
  Mo     -4.049821     -4.272569      3.839499
  N      -3.245829     -5.593859      5.087058
  C      -3.403429     -7.018366      4.760442
  C      -4.102816     -7.198745      3.420357
  H      -3.976775     -7.548688      5.540695
  H      -2.414331     -7.501395      4.719711
  H      -5.193067     -7.164057      3.541246
  H      -3.837940     -8.170936      2.969557
  H      -6.449203     -4.930224      0.999119
  H      -6.593942     -6.309018      2.088832
  H      -4.140168     -5.140474      0.736230
  H      -4.679884     -6.836491      0.793660
  H      -0.858263     -4.503690      1.887736
  H      -2.130027     -4.503129      0.666171
  H      -1.712393     -6.341010      3.055088
  H      -2.085390     -6.783967      1.371106
  C      -2.500189     -2.248891      2.018773
  C      -0.996756     -1.952186      1.819807
  C      -0.090939     -2.182728      3.027596
  C       1.345201     -1.730812      2.745009
  C       2.383714     -2.361412      3.652469
  Cl      2.594884     -4.125695      3.269789
  C      -3.126306     -1.236351      2.989128
  C      -3.135313      0.203200      2.468661
  C      -3.861244      0.301664      1.125661
  C      -3.276264     -0.684337      0.114621
  C      -3.255036     -2.113626      0.667566
  C      -7.250217     -4.281417      3.587185
  C      -7.686509     -5.502663      4.433335
  C      -6.905938     -5.717079      5.726891
  C      -7.095106     -7.101371      6.358541
  C      -8.520269     -7.343429      6.823481
  Cl     -8.675078     -8.949200      7.635664
  C      -7.341181     -2.999731      4.431694
  C      -7.097112     -1.717761      3.636125
  C      -8.062407     -1.580846      2.459404
  C      -8.029265     -2.841278      1.594067
  C      -8.287540     -4.085611      2.444892
  C      -2.536458     -5.323595      6.398121
  C      -3.628484     -5.318817      7.498935
  C      -3.221456     -4.824641      8.886167
  C      -4.387174     -4.900538      9.872528
  C      -4.033501     -4.463817     11.282018
  Cl     -2.815263     -5.567143     12.045523
  C      -1.504309     -6.425483      6.741415
  C      -0.205400     -6.278713      5.952295
  C       0.547453     -5.006810      6.397505
  C      -0.414943     -3.970082      7.001019
  C      -1.765571     -3.972182      6.282270
  H      -0.620030     -2.544636      0.970665
  H      -0.899409     -0.905205      1.497903
  H      -0.083227     -3.251697      3.292931
  H      -0.478244     -1.652526      3.912022
  H       1.612980     -1.959974      1.700711
  H       1.423533     -0.635145      2.850890
  H       2.102523     -2.316744      4.712901
  H       3.374456     -1.912439      3.521849
  H      -4.177966     -1.534656      3.128148
  H      -2.629676     -1.295327      3.968692
  H      -2.103918      0.577946      2.364574
  H      -3.619495      0.849684      3.216575
  H      -3.810371      1.329157      0.735238
  H      -4.931994      0.072702      1.274994
  H      -2.255400     -0.373901     -0.161738
  H      -3.862452     -0.670307     -0.817271
  H      -2.813854     -2.787044     -0.083029
  H      -4.292060     -2.452325      0.837686
  H      -8.758848     -5.380147      4.653827
  H      -7.614765     -6.412096      3.811675
  H      -7.165631     -4.941700      6.466207
  H      -5.829443     -5.594894      5.523405
  H      -6.419392     -7.203402      7.221995
  H      -6.813548     -7.885083      5.635642
  H      -9.235720     -7.354919      5.992789
  H      -8.838193     -6.592427      7.558419
  H      -6.670601     -3.052405      5.295533
  H      -8.364102     -2.981386      4.844628
  H      -7.172351     -0.845782      4.304834
  H      -6.067438     -1.728107      3.244383
  H      -7.817393     -0.689940      1.860729
  H      -9.087594     -1.433184      2.841898
  H      -7.043440     -2.917716      1.102699
  H      -8.778285     -2.778937      0.790068
  H      -8.377850     -4.988212      1.825755
  H      -9.264241     -3.973830      2.943240
  H      -4.485173     -4.722044      7.150701
  H      -4.015991     -6.348624      7.590435
  H      -2.388707     -5.423146      9.284376
  H      -2.862876     -3.783349      8.831444
  H      -4.792225     -5.925345      9.900771
  H      -5.209730     -4.246731      9.529532
  H      -3.584630     -3.462382     11.301096
  H      -4.906860     -4.480396     11.943794
  H      -1.945829     -7.425023      6.645609
  H      -1.273568     -6.323804      7.812370
  H      -0.431201     -6.225189      4.873740
  H       0.425831     -7.168751      6.085674
  H       1.315970     -5.266813      7.140887
  H       1.081020     -4.574863      5.538966
  H       0.026163     -2.963424      6.939416
  H      -0.562615     -4.167478      8.073724
  H      -2.387904     -3.142714      6.642931
  H      -1.584999     -3.775555      5.213318
  N      -4.422729     -2.919215      5.177677
  H      -4.593276     -3.134723      6.163330
  H      -4.512338     -1.909233      5.043286
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720733450576
  N      -2.707788     -3.642097      2.524305
  C      -1.945672     -4.630405      1.740614
  C      -2.292324     -6.046750      2.169051
  N      -3.719371     -6.077072      2.540329
  C      -4.597373     -5.904995      1.372866
  C      -5.961146     -5.450009      1.843188
  N      -5.868601     -4.546820      3.004423
  Mo     -4.054304     -4.274352      3.836573
  N      -3.247838     -5.595999      5.083200
  C      -3.396654     -7.020484      4.754663
  C      -4.095608     -7.201617      3.414446
  H      -3.967098     -7.556036      5.533529
  H      -2.405141     -7.498072      4.712565
  H      -5.185707     -7.169121      3.536590
  H      -3.829079     -8.172777      2.962539
  H      -6.453220     -4.949730      0.994929
  H      -6.587676     -6.325185      2.088700
  H      -4.143612     -5.136385      0.735904
  H      -4.670406     -6.836536      0.784751
  H      -0.862089     -4.490666      1.879088
  H      -2.139791     -4.491547      0.663891
  H      -1.707493     -6.328791      3.051587
  H      -2.075358     -6.772964      1.367117
  C      -2.501769     -2.238156      2.028543
  C      -0.997781     -1.944925      1.830205
  C      -0.091182     -2.189862      3.034318
  C       1.350505     -1.757682      2.748545
  C       2.382436     -2.412686      3.645845
  Cl      2.552355     -4.180350      3.257970
  C      -3.122075     -1.229147      3.005566
  C      -3.129754      0.213122      2.491970
  C      -3.859426      0.319269      1.151841
  C      -3.276303     -0.660226      0.133175
  C      -3.257313     -2.092686      0.678051
  C      -7.252856     -4.289686      3.579950
  C      -7.688747     -5.509072      4.430197
  C      -6.903925     -5.726113      5.720466
  C      -7.096047     -7.108839      6.353977
  C      -8.519003     -7.342522      6.829944
  Cl     -8.675985     -8.945986      7.646243
  C      -7.345537     -3.005067      4.420488
  C      -7.105385     -1.724937      3.620515
  C      -8.074056     -1.594040      2.445660
  C      -8.039582     -2.856988      1.583776
  C      -8.291938     -4.099631      2.438290
  C      -2.537542     -5.320606      6.393948
  C      -3.628300     -5.310751      7.496493
  C      -3.216713     -4.813649      8.881321
  C      -4.378703     -4.885399      9.872380
  C      -4.021936     -4.433748     11.276477
  Cl     -2.794083     -5.522891     12.044922
  C      -1.504185     -6.420402      6.741783
  C      -0.204289     -6.275028      5.954541
  C       0.547824     -5.003995      6.402253
  C      -0.417548     -3.964408      6.996646
  C      -1.766434     -3.969862      6.274130
  H      -0.624699     -2.531624      0.975206
  H      -0.897781     -0.895565      1.517270
  H      -0.097362     -3.258984      3.297900
  H      -0.467407     -1.655225      3.921211
  H       1.611421     -1.980258      1.700936
  H       1.447762     -0.664605      2.865139
  H       2.109929     -2.364175      4.708393
  H       3.381643     -1.984990      3.508423
  H      -4.174048     -1.523797      3.147941
  H      -2.622538     -1.294033      3.983610
  H      -2.098767      0.588680      2.388135
  H      -3.612918      0.855779      3.243972
  H      -3.811540      1.349393      0.767967
  H      -4.929075      0.087477      1.303373
  H      -2.255169     -0.348779     -0.141287
  H      -3.863309     -0.639407     -0.797945
  H      -2.817851     -2.763452     -0.075807
  H      -4.295085     -2.429163      0.846798
  H      -8.759729     -5.383480      4.656093
  H      -7.622870     -6.418825      3.808597
  H      -7.157425     -4.949241      6.460449
  H      -5.827957     -5.608254      5.511483
  H      -6.414443     -7.214775      7.212225
  H      -6.824184     -7.894268      5.629233
  H      -9.240667     -7.351562      6.004590
  H      -8.827174     -6.588579      7.566059
  H      -6.674706     -3.053729      5.284588
  H      -8.368662     -2.986765      4.832663
  H      -7.181930     -0.851017      4.286480
  H      -6.077542     -1.733423      3.225589
  H      -7.829904     -0.705574      1.842802
  H      -9.098530     -1.445197      2.829244
  H      -7.054680     -2.930926      1.089845
  H      -8.790937     -2.799155      0.781656
  H      -8.380044     -5.004188      1.821891
  H      -9.268279     -3.989141      2.937742
  H      -4.483985     -4.712708      7.147577
  H      -4.018459     -6.339294      7.591414
  H      -2.383149     -5.411900      9.278158
  H      -2.857680     -3.772640      8.822163
  H      -4.779082     -5.911590      9.912473
  H      -5.205505     -4.238481      9.526411
  H      -3.578803     -3.429576     11.284314
  H      -4.892530     -4.449419     11.941924
  H      -1.944342     -7.420405      6.647793
  H      -1.274740     -6.315579      7.812831
  H      -0.427804     -6.219469      4.875554
  H       0.426216     -7.165489      6.088726
  H       1.311117     -5.263729      7.151065
  H       1.087002     -4.575955      5.545643
  H       0.022699     -2.957565      6.931551
  H      -0.568515     -4.156753      8.069821
  H      -2.389299     -3.138702      6.629815
  H      -1.583388     -3.777551      5.204606
  N      -4.434407     -2.927855      5.179693
  H      -4.619454     -3.149794      6.161296
  H      -4.505485     -1.915334      5.055086
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720787409746
  N      -2.706269     -3.632945      2.529265
  C      -1.949316     -4.617306      1.735696
  C      -2.284278     -6.035257      2.167506
  N      -3.710342     -6.076652      2.539714
  C      -4.592119     -5.909381      1.374571
  C      -5.957966     -5.467520      1.850161
  N      -5.867004     -4.554635      3.002296
  Mo     -4.053599     -4.275599      3.836748
  N      -3.243001     -5.597908      5.083013
  C      -3.378051     -7.021697      4.750795
  C      -4.079284     -7.204290      3.412609
  H      -3.942374     -7.565833      5.528396
  H      -2.382406     -7.490468      4.705385
  H      -5.168986     -7.175357      3.538966
  H      -3.810667     -8.173649      2.958228
  H      -6.459200     -4.980757      0.999102
  H      -6.574893     -6.347018      2.104934
  H      -4.148462     -5.132408      0.740552
  H      -4.657306     -6.838577      0.781974
  H      -0.864434     -4.475310      1.861126
  H      -2.156574     -4.479458      0.661336
  H      -1.696824     -6.309924      3.050685
  H      -2.059921     -6.760663      1.366747
  C      -2.504148     -2.226752      2.036913
  C      -1.001137     -1.931297      1.833726
  C      -0.088748     -2.181945      3.031659
  C       1.357711     -1.776817      2.729233
  C       2.387100     -2.450138      3.615533
  Cl      2.502297     -4.226060      3.245229
  C      -3.120404     -1.221999      3.020034
  C      -3.135444      0.221791      2.510007
  C      -3.873795      0.327687      1.174803
  C      -3.289196     -0.643938      0.149138
  C      -3.263527     -2.078197      0.688598
  C      -7.250925     -4.288953      3.572036
  C      -7.690386     -5.497504      4.437380
  C      -6.904319     -5.705823      5.728287
  C      -7.101246     -7.080825      6.375892
  C      -8.522850     -7.300103      6.862845
  Cl     -8.684803     -8.893070      7.698489
  C      -7.345660     -2.992703      4.394726
  C      -7.103641     -1.723681      3.577347
  C      -8.072277     -1.609253      2.400309
  C      -8.037919     -2.884299      1.556214
  C      -8.289244     -4.115010      2.427323
  C      -2.535356     -5.322490      6.395585
  C      -3.627200     -5.325757      7.497681
  C      -3.219440     -4.838353      8.887036
  C      -4.381608     -4.924620      9.876547
  C      -4.032726     -4.466593     11.280608
  Cl     -2.787480     -5.535319     12.049594
  C      -1.495692     -6.418631      6.737008
  C      -0.196229     -6.260112      5.951923
  C       0.549419     -4.991264      6.415431
  C      -0.423540     -3.958471      7.010014
  C      -1.771612     -3.967195      6.285385
  H      -0.631423     -2.514039      0.974479
  H      -0.904727     -0.880332      1.525392
  H      -0.111583     -3.248338      3.303870
  H      -0.446198     -1.632593      3.917380
  H       1.604614     -2.002351      1.678943
  H       1.478128     -0.686085      2.846334
  H       2.133887     -2.381819      4.681696
  H       3.395012     -2.051680      3.455905
  H      -4.171439     -1.517155      3.168289
  H      -2.615458     -1.288597      3.995318
  H      -2.107559      0.604135      2.402487
  H      -3.619541      0.859423      3.265836
  H      -3.837052      1.359707      0.795012
  H      -4.940165      0.085812      1.332948
  H      -2.270374     -0.325880     -0.126317
  H      -3.879332     -0.621830     -0.779834
  H      -2.823370     -2.745772     -0.067443
  H      -4.299961     -2.417645      0.858666
  H      -8.759912     -5.363801      4.665248
  H      -7.630685     -6.413294      3.824326
  H      -7.154260     -4.920800      6.460878
  H      -5.828082     -5.594208      5.515782
  H      -6.415320     -7.183199      7.231116
  H      -6.838872     -7.874928      5.657317
  H      -9.249477     -7.313782      6.041988
  H      -8.821294     -6.535954      7.592350
  H      -6.677237     -3.029822      5.261024
  H      -8.370547     -2.968010      4.801729
  H      -7.181209     -0.840481      4.230644
  H      -6.076206     -1.737329      3.181601
  H      -7.824613     -0.731120      1.783798
  H      -9.096477     -1.451997      2.780612
  H      -7.053362     -2.963653      1.062497
  H      -8.790218     -2.838074      0.754288
  H      -8.375161     -5.027723      1.822831
  H      -9.266068     -3.998388      2.924305
  H      -4.484098     -4.727930      7.152117
  H      -4.014079     -6.356387      7.583415
  H      -2.383668     -5.436066      9.279405
  H      -2.866204     -3.794942      8.836919
  H      -4.767944     -5.956068      9.917684
  H      -5.216679     -4.289258      9.529164
  H      -3.605855     -3.455419     11.287713
  H      -4.903155     -4.496142     11.945714
  H      -1.929871     -7.420298      6.634273
  H      -1.267217     -6.320540      7.808669
  H      -0.418815     -6.191028      4.873516
  H       0.437933     -7.149307      6.076310
  H       1.307506     -5.255004      7.167979
  H       1.093095     -4.556817      5.565276
  H       0.010704     -2.948783      6.949099
  H      -0.575758     -4.155211      8.082040
  H      -2.399461     -3.142348      6.647035
  H      -1.589096     -3.765818      5.217416
  N      -4.436618     -2.931880      5.179944
  H      -4.630938     -3.156456      6.159115
  H      -4.501625     -1.918367      5.059214
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720812740227
  N      -2.714957     -3.626020      2.526008
  C      -1.958117     -4.606371      1.727525
  C      -2.283082     -6.025414      2.161617
  N      -3.708181     -6.074899      2.535320
  C      -4.593042     -5.913786      1.371667
  C      -5.960417     -5.481660      1.850726
  N      -5.870620     -4.561005      2.995989
  Mo     -4.059068     -4.276582      3.833674
  N      -3.240056     -5.596455      5.079174
  C      -3.365851     -7.019912      4.744371
  C      -4.070070     -7.204472      3.408478
  H      -3.923696     -7.570683      5.522169
  H      -2.367141     -7.481872      4.694323
  H      -5.159542     -7.179361      3.538358
  H      -3.799138     -8.172406      2.952368
  H      -6.469569     -5.005208      0.998629
  H      -6.568903     -6.364921      2.113588
  H      -4.156982     -5.132651      0.737172
  H      -4.652262     -6.843362      0.779071
  H      -0.873037     -4.459491      1.846401
  H      -2.172420     -4.469764      0.654371
  H      -1.693220     -6.294127      3.045126
  H      -2.054415     -6.750685      1.361855
  C      -2.507703     -2.218044      2.042925
  C      -1.002926     -1.925483      1.848208
  C      -0.096143     -2.200338      3.044801
  C       1.355476     -1.806507      2.750353
  C       2.378042     -2.522148      3.611236
  Cl      2.460310     -4.288802      3.190313
  C      -3.125099     -1.220111      3.031792
  C      -3.137679      0.227894      2.533711
  C      -3.871176      0.344677      1.196762
  C      -3.281950     -0.618341      0.165753
  C      -3.260481     -2.057291      0.692462
  C      -7.253587     -4.294121      3.566285
  C      -7.689618     -5.498711      4.439293
  C      -6.895831     -5.703298      5.726054
  C      -7.096459     -7.072357      6.384726
  C      -8.514870     -7.277502      6.887068
  Cl     -8.679985     -8.862151      7.737714
  C      -7.350180     -2.992637      4.380195
  C      -7.111515     -1.728692      3.554154
  C      -8.081051     -1.623761      2.376916
  C      -8.046778     -2.904980      1.542342
  C      -8.294795     -4.129641      2.422789
  C      -2.530224     -5.318575      6.389740
  C      -3.620784     -5.327795      7.492972
  C      -3.217628     -4.834212      8.881407
  C      -4.378724     -4.932518      9.870993
  C      -4.037641     -4.461240     11.272560
  Cl     -2.774116     -5.504300     12.046823
  C      -1.484391     -6.409337      6.730525
  C      -0.185097     -6.240362      5.947175
  C       0.553123     -4.970330      6.419146
  C      -0.428097     -3.941501      7.007472
  C      -1.773516     -3.960103      6.278154
  H      -0.632884     -2.497337      0.981960
  H      -0.901284     -0.870216      1.556377
  H      -0.131467     -3.270156      3.302123
  H      -0.449945     -1.659164      3.936677
  H       1.596536     -2.001642      1.692843
  H       1.492262     -0.722014      2.902045
  H       2.132477     -2.478945      4.680507
  H       3.391843     -2.137240      3.455938
  H      -4.177299     -1.515500      3.173260
  H      -2.622182     -1.294806      4.007415
  H      -2.109391      0.611047      2.433236
  H      -3.624874      0.859162      3.292924
  H      -3.833375      1.379803      0.825789
  H      -4.938023      0.100777      1.349157
  H      -2.261563     -0.298421     -0.101397
  H      -3.867220     -0.587781     -0.766086
  H      -2.816974     -2.718567     -0.066904
  H      -4.298224     -2.397039      0.854202
  H      -8.757466     -5.362375      4.672823
  H      -7.633926     -6.416802      3.829329
  H      -7.136253     -4.911586      6.454665
  H      -5.820222     -5.600969      5.504965
  H      -6.402994     -7.173495      7.234097
  H      -6.846827     -7.873430      5.669522
  H      -9.249521     -7.292773      6.073490
  H      -8.800500     -6.505161      7.613025
  H      -6.679847     -3.021598      5.244995
  H      -8.374778     -2.967869      4.787884
  H      -7.190757     -0.841505      4.201696
  H      -6.083711     -1.742912      3.158471
  H      -7.834086     -0.750448      1.753391
  H      -9.104993     -1.464085      2.756814
  H      -7.063358     -2.986566      1.047108
  H      -8.801184     -2.865705      0.742011
  H      -8.380659     -5.046471      1.824406
  H      -9.270698     -4.010756      2.920835
  H      -4.482562     -4.737564      7.146772
  H      -3.999546     -6.361284      7.580502
  H      -2.375605     -5.422634      9.274253
  H      -2.875885     -3.787141      8.830058
  H      -4.749280     -5.969531      9.917545
  H      -5.223171     -4.311880      9.519754
  H      -3.628241     -3.442882     11.274165
  H      -4.907390     -4.502348     11.937893
  H      -1.911913     -7.413539      6.625333
  H      -1.257442     -6.311888      7.802472
  H      -0.406863     -6.165491      4.868976
  H       0.453805     -7.126720      6.066973
  H       1.304953     -5.233725      7.178012
  H       1.102868     -4.533645      5.573857
  H       0.000098     -2.929351      6.944999
  H      -0.582694     -4.135911      8.079472
  H      -2.408153     -3.137952      6.633991
  H      -1.588214     -3.761958      5.210246
  N      -4.442883     -2.936722      5.179078
  H      -4.651671     -3.166556      6.154213
  H      -4.486639     -1.920978      5.066695
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720828284397
  N      -2.714181     -3.625894      2.523054
  C      -1.959530     -4.606758      1.723359
  C      -2.283561     -6.024869      2.159789
  N      -3.708550     -6.073860      2.534132
  C      -4.594796     -5.913551      1.371558
  C      -5.961627     -5.482200      1.852423
  N      -5.870849     -4.560010      2.996625
  Mo     -4.058086     -4.275329      3.832302
  N      -3.238544     -5.594556      5.078835
  C      -3.365186     -7.017980      4.743728
  C      -4.069752     -7.202838      3.408372
  H      -3.922476     -7.568791      5.521942
  H      -2.366593     -7.480339      4.692951
  H      -5.159186     -7.177746      3.538881
  H      -3.798997     -8.170981      2.952468
  H      -6.473868     -5.007935      1.001214
  H      -6.567843     -6.366217      2.118448
  H      -4.159996     -5.132707      0.735756
  H      -4.654446     -6.843890      0.780132
  H      -0.874106     -4.459217      1.838820
  H      -2.176896     -4.471266      0.650586
  H      -1.693541     -6.290817      3.044051
  H      -2.055049     -6.752112      1.361760
  C      -2.507053     -2.218289      2.039757
  C      -1.002167     -1.924512      1.844775
  C      -0.096465     -2.194824      3.043337
  C       1.355823     -1.804276      2.746639
  C       2.379649     -2.513493      3.611650
  Cl      2.463933     -4.283096      3.203613
  C      -3.124287     -1.220888      3.029583
  C      -3.136462      0.227705      2.533292
  C      -3.870670      0.345474      1.196678
  C      -3.282220     -0.617229      0.165199
  C      -3.260063     -2.056888      0.689990
  C      -7.253098     -4.293555      3.568465
  C      -7.687322     -5.497053      4.443570
  C      -6.890000     -5.700166      5.728469
  C      -7.088968     -7.068970      6.388493
  C      -8.506009     -7.273949      6.894735
  Cl     -8.669342     -8.858922      7.745091
  C      -7.348185     -2.990815      4.379859
  C      -7.109625     -1.729182      3.550453
  C      -8.080030     -1.625361      2.373930
  C      -8.049170     -2.908652      1.542583
  C      -8.296641     -4.131052      2.426660
  C      -2.530544     -5.318901      6.390558
  C      -3.623393     -5.326432      7.490873
  C      -3.221910     -4.839198      8.882070
  C      -4.387041     -4.935345      9.867179
  C      -4.049219     -4.470108     11.271520
  Cl     -2.792285     -5.520251     12.046889
  C      -1.487056     -6.411344      6.732793
  C      -0.187802     -6.244789      5.948679
  C       0.552592     -4.975728      6.419948
  C      -0.426284     -3.945185      7.009055
  C      -1.772157     -3.961339      6.280698
  H      -0.630428     -2.498218      0.980629
  H      -0.901632     -0.869812      1.550390
  H      -0.135081     -3.263307      3.306093
  H      -0.450179     -1.648363      3.931783
  H       1.595935     -2.005966      1.690250
  H       1.492449     -0.718827      2.891563
  H       2.136114     -2.462431      4.681032
  H       3.392892     -2.128983      3.451783
  H      -4.176773     -1.516563      3.169279
  H      -2.621246     -1.297130      4.004751
  H      -2.107774      0.609855      2.432030
  H      -3.622340      0.858785      3.293439
  H      -3.832410      1.380627      0.825885
  H      -4.937635      0.102143      1.349717
  H      -2.262108     -0.297158     -0.102659
  H      -3.867970     -0.585979     -0.766417
  H      -2.816281     -2.716588     -0.070574
  H      -4.297692     -2.397787      0.851271
  H      -8.754577     -5.359919      4.678952
  H      -7.632868     -6.415863      3.834436
  H      -7.128860     -4.907611      6.456668
  H      -5.815011     -5.598580      5.504977
  H      -6.393149     -7.169541      7.236085
  H      -6.841299     -7.870570      5.673190
  H      -9.242991     -7.288667      6.083275
  H      -8.789413     -6.501871      7.621848
  H      -6.675805     -3.017514      5.243083
  H      -8.372023     -2.964971      4.789494
  H      -7.186839     -0.840503      4.196222
  H      -6.081788     -1.745610      3.153861
  H      -7.833224     -0.753555      1.748390
  H      -9.103343     -1.463942      2.755002
  H      -7.067263     -2.993042      1.045140
  H      -8.805620     -2.870461      0.744078
  H      -8.384661     -5.049120      1.830308
  H      -9.271452     -4.010497      2.926333
  H      -4.481394     -4.730379      7.144912
  H      -4.007130     -6.358374      7.573886
  H      -2.384271     -5.433291      9.275854
  H      -2.874350     -3.793861      8.835506
  H      -4.762527     -5.970837      9.908381
  H      -5.227347     -4.309707      9.514810
  H      -3.636288     -3.453220     11.278061
  H      -4.921519     -4.510420     11.933563
  H      -1.916397     -7.415026      6.629360
  H      -1.259404     -6.312662      7.804467
  H      -0.410149     -6.169933      4.870634
  H       0.449973     -7.131985      6.068139
  H       1.303880     -5.240412      7.178930
  H       1.103138     -4.539960      5.574709
  H       0.003939     -2.933952      6.945912
  H      -0.580680     -4.138972      8.081245
  H      -2.405866     -3.139358      6.638824
  H      -1.587712     -3.761098      5.213225
  N      -4.440533     -2.934826      5.177112
  H      -4.638413     -3.164304      6.154696
  H      -4.488149     -1.919381      5.063568
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720833562095
  N      -2.714503     -3.625371      2.520553
  C      -1.961737     -4.605874      1.718325
  C      -2.282105     -6.023518      2.157703
  N      -3.706855     -6.074379      2.533318
  C      -4.595082     -5.916357      1.371916
  C      -5.961755     -5.487316      1.854503
  N      -5.870185     -4.562021      2.996468
  Mo     -4.057199     -4.274995      3.831199
  N      -3.236491     -5.592825      5.078951
  C      -3.360583     -7.016643      4.743557
  C      -4.065651     -7.203109      3.409070
  H      -3.915803     -7.568604      5.522400
  H      -2.361126     -7.477186      4.691861
  H      -5.154979     -7.179428      3.540679
  H      -3.794132     -8.171250      2.953590
  H      -6.478172     -5.017082      1.003811
  H      -6.564652     -6.372416      2.124788
  H      -4.162957     -5.135347      0.734602
  H      -4.653961     -6.847466      0.781585
  H      -0.876155     -4.456298      1.828508
  H      -2.184116     -4.471723      0.646308
  H      -1.690860     -6.285338      3.042376
  H      -2.052758     -6.752515      1.361558
  C      -2.507238     -2.216987      2.039330
  C      -1.002226     -1.922225      1.843686
  C      -0.096322     -2.194158      3.042053
  C       1.357167     -1.809003      2.743764
  C       2.380475     -2.523065      3.605238
  Cl      2.456205     -4.293037      3.196759
  C      -3.123607     -1.220571      3.031272
  C      -3.136064      0.228749      2.537270
  C      -3.871676      0.348215      1.201453
  C      -3.284326     -0.613229      0.168383
  C      -3.260948     -2.053876      0.690618
  C      -7.252226     -4.293667      3.568139
  C      -7.686914     -5.494278      4.446211
  C      -6.888842     -5.694780      5.731028
  C      -7.090331     -7.061422      6.395182
  C      -8.507274     -7.262386      6.903150
  Cl     -8.673473     -8.845554      7.756312
  C      -7.346531     -2.988240      4.375091
  C      -7.106437     -1.730029      3.540931
  C      -8.076193     -1.628726      2.363812
  C      -8.048172     -2.915117      1.537229
  C      -8.296136     -4.134307      2.426071
  C      -2.529893     -5.317384      6.391683
  C      -3.623178     -5.329166      7.491025
  C      -3.223032     -4.847021      8.884385
  C      -4.389400     -4.947681      9.867660
  C      -4.054531     -4.486257     11.273925
  Cl     -2.796168     -5.535780     12.047867
  C      -1.483839     -6.407541      6.732692
  C      -0.185577     -6.236237      5.947786
  C       0.552054     -4.966578      6.421359
  C      -0.428863     -3.938801      7.011943
  C      -1.775024     -3.957547      6.284300
  H      -0.630526     -2.494400      0.978597
  H      -0.902022     -0.867108      1.550927
  H      -0.139634     -3.262265      3.305920
  H      -0.448365     -1.645756      3.929902
  H       1.593830     -2.009733      1.686407
  H       1.497977     -0.724334      2.890429
  H       2.141422     -2.471208      4.675576
  H       3.394778     -2.142895      3.441621
  H      -4.175846     -1.516483      3.171543
  H      -2.618818     -1.298357      4.005292
  H      -2.107129      0.610109      2.434754
  H      -3.620009      0.859320      3.298980
  H      -3.833493      1.383699      0.831561
  H      -4.938635      0.105193      1.355374
  H      -2.264606     -0.292615     -0.100327
  H      -3.870874     -0.580728     -0.762739
  H      -2.816958     -2.711497     -0.071722
  H      -4.298284     -2.396103      0.851299
  H      -8.753911     -5.355065      4.681569
  H      -7.634075     -6.414948      3.839612
  H      -7.125510     -4.899247      6.456684
  H      -5.813865     -5.596846      5.506904
  H      -6.393930     -7.161227      7.242445
  H      -6.844716     -7.865418      5.681826
  H      -9.245107     -7.276815      6.092454
  H      -8.788361     -6.488443      7.629203
  H      -6.674080     -3.011473      5.238478
  H      -8.370237     -2.960145      4.784940
  H      -7.182431     -0.838939      4.183604
  H      -6.078245     -1.749126      3.145123
  H      -7.828272     -0.759284      1.735499
  H      -9.099307     -1.464450      2.744422
  H      -7.067229     -3.002896      1.038642
  H      -8.805661     -2.878763      0.739607
  H      -8.385677     -5.054443      1.832989
  H      -9.270527     -4.011405      2.925972
  H      -4.481045     -4.731659      7.147272
  H      -4.006668     -6.361466      7.569817
  H      -2.385402     -5.442077      9.276922
  H      -2.875483     -3.801457      8.842181
  H      -4.763733     -5.983776      9.904695
  H      -5.230097     -4.322136      9.515907
  H      -3.644167     -3.468372     11.284348
  H      -4.927663     -4.530875     11.934622
  H      -1.910714     -7.412307      6.629417
  H      -1.255715     -6.308582      7.804334
  H      -0.409169     -6.159295      4.870162
  H       0.454752     -7.122019      6.064113
  H       1.303045     -5.231335      7.180684
  H       1.102653     -4.528609      5.577412
  H      -0.000889     -2.926589      6.949334
  H      -0.582380     -4.133697      8.084122
  H      -2.410717     -3.138121      6.644923
  H      -1.592017     -3.754013      5.217284
  N      -4.439278     -2.934770      5.176225
  H      -4.649551     -3.166306      6.150788
  H      -4.491748     -1.919671      5.062492
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720837436716
  N      -2.716381     -3.622868      2.520292
  C      -1.964309     -4.602091      1.715563
  C      -2.279940     -6.020014      2.156948
  N      -3.704498     -6.074435      2.533116
  C      -4.593855     -5.919383      1.372223
  C      -5.961127     -5.493877      1.855638
  N      -5.870274     -4.565237      2.995078
  Mo     -4.058136     -4.275089      3.830832
  N      -3.235518     -5.591271      5.079456
  C      -3.355066     -7.015408      4.743381
  C      -4.060259     -7.203754      3.409437
  H      -3.907867     -7.569391      5.522468
  H      -2.354168     -7.472838      4.690980
  H      -5.149544     -7.182631      3.541731
  H      -3.786861     -8.171390      2.954057
  H      -6.480899     -5.028008      1.004708
  H      -6.560562     -6.380283      2.129397
  H      -4.164627     -5.137537      0.734070
  H      -4.650658     -6.850955      0.782423
  H      -0.878764     -4.449900      1.821278
  H      -2.191113     -4.468913      0.644276
  H      -1.687593     -6.278051      3.042011
  H      -2.048575     -6.749754      1.362125
  C      -2.508482     -2.213674      2.041430
  C      -1.003278     -1.919863      1.844689
  C      -0.096151     -2.196814      3.041287
  C       1.358517     -1.817971      2.740895
  C       2.380359     -2.541243      3.596012
  Cl      2.442950     -4.310427      3.181836
  C      -3.123053     -1.217410      3.034984
  C      -3.134521      0.232332      2.542337
  C      -3.871445      0.353683      1.207406
  C      -3.285967     -0.607251      0.172873
  C      -3.262764     -2.048571      0.693470
  C      -7.252421     -4.295066      3.565754
  C      -7.687482     -5.492395      4.447866
  C      -6.888932     -5.689569      5.732864
  C      -7.092555     -7.053548      6.402028
  C      -8.509433     -7.250526      6.911555
  Cl     -8.677892     -8.831026      7.769189
  C      -7.346529     -2.986517      4.367781
  C      -7.105178     -1.731819      3.528601
  C      -8.074739     -1.634093      2.351159
  C      -8.048606     -2.923695      1.529543
  C      -8.296585     -4.139427      2.423283
  C      -2.529855     -5.315374      6.392697
  C      -3.622869     -5.332696      7.492127
  C      -3.223698     -4.853975      8.886956
  C      -4.390084     -4.960095      9.869661
  C      -4.057314     -4.500587     11.277011
  Cl     -2.795477     -5.547208     12.049233
  C      -1.480118     -6.402701      6.730827
  C      -0.183130     -6.224759      5.945277
  C       0.550920     -4.954801      6.422970
  C      -0.433067     -3.930953      7.015444
  C      -1.779319     -3.952779      6.288086
  H      -0.633474     -2.489862      0.977336
  H      -0.902084     -0.864089      1.554953
  H      -0.144238     -3.265003      3.304078
  H      -0.444849     -1.648006      3.930253
  H       1.590818     -2.015310      1.681897
  H       1.505507     -0.734773      2.892085
  H       2.146151     -2.491338      4.667491
  H       3.396404     -2.167050      3.429365
  H      -4.175133     -1.512450      3.176387
  H      -2.616730     -1.296541      4.008122
  H      -2.105194      0.612300      2.438628
  H      -3.616365      0.863022      3.305221
  H      -3.832646      1.389418      0.838258
  H      -4.938477      0.111730      1.362259
  H      -2.266289     -0.287065     -0.096622
  H      -3.873313     -0.573366     -0.757675
  H      -2.819136     -2.705064     -0.070126
  H      -4.300055     -2.390903      0.853761
  H      -8.754203     -5.351219      4.683434
  H      -7.636329     -6.415254      3.844497
  H      -7.123748     -4.890910      6.455655
  H      -5.813845     -5.594823      5.507947
  H      -6.395769     -7.151800      7.249163
  H      -6.848551     -7.860229      5.691153
  H      -9.247880     -7.265848      6.101429
  H      -8.788674     -6.474091      7.635655
  H      -6.674558     -3.006080      5.231704
  H      -8.370249     -2.956176      4.777330
  H      -7.180365     -0.838108      4.167755
  H      -6.076926     -1.753418      3.133380
  H      -7.826011     -0.767226      1.719636
  H      -9.097637     -1.467205      2.731275
  H      -7.068324     -3.014257      1.030162
  H      -8.806883     -2.889775      0.732594
  H      -8.387131     -5.061763      1.833830
  H      -9.270674     -4.014230      2.923238
  H      -4.481769     -4.735526      7.150594
  H      -4.004424     -6.365935      7.567794
  H      -2.384709     -5.448170      9.277902
  H      -2.878196     -3.807589      8.847809
  H      -4.761471     -5.997332      9.904216
  H      -5.232523     -4.336371      9.518811
  H      -3.650659     -3.481251     11.289773
  H      -4.930510     -4.549830     11.937294
  H      -1.903635     -7.408713      6.625984
  H      -1.251597     -6.304983      7.802523
  H      -0.408152     -6.144138      4.868205
  H       0.460258     -7.108895      6.057191
  H       1.301657     -5.220008      7.182436
  H       1.101399     -4.513530      5.580785
  H      -0.008238     -2.917330      6.954401
  H      -0.585766     -4.128047      8.087340
  H      -2.417456     -3.136295      6.650995
  H      -1.597410     -3.746050      5.221480
  N      -4.443015     -2.936130      5.176754
  H      -4.646088     -3.168942      6.152492
  H      -4.486726     -1.920255      5.066743
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720839711553
  N      -2.717063     -3.623188      2.519854
  C      -1.965343     -4.602281      1.714606
  C      -2.280596     -6.020231      2.156412
  N      -3.705107     -6.074869      2.532981
  C      -4.594706     -5.920403      1.372124
  C      -5.961840     -5.494437      1.855649
  N      -5.870832     -4.565199      2.994536
  Mo     -4.058704     -4.275515      3.830427
  N      -3.235773     -5.591192      5.079251
  C      -3.355044     -7.015441      4.743326
  C      -4.060529     -7.204192      3.409537
  H      -3.907627     -7.569459      5.522571
  H      -2.354086     -7.472560      4.690822
  H      -5.149814     -7.183419      3.541945
  H      -3.786903     -8.171797      2.954253
  H      -6.481546     -5.028765      1.004475
  H      -6.561539     -6.380440      2.129940
  H      -4.165505     -5.138959      0.733438
  H      -4.651741     -6.852226      0.782760
  H      -0.879726     -4.450077      1.819727
  H      -2.192718     -4.469078      0.643491
  H      -1.688104     -6.277815      3.041534
  H      -2.049185     -6.750193      1.361819
  C      -2.508439     -2.213739      2.042212
  C      -1.003174     -1.920855      1.846273
  C      -0.096335     -2.199614      3.042665
  C       1.358503     -1.821381      2.742584
  C       2.379738     -2.544522      3.598422
  Cl      2.441680     -4.313970      3.185400
  C      -3.122931     -1.218273      3.036542
  C      -3.133261      0.231936      2.545281
  C      -3.869760      0.355303      1.210333
  C      -3.284729     -0.604875      0.174767
  C      -3.262351     -2.046706      0.693999
  C      -7.253088     -4.295233      3.565157
  C      -7.688012     -5.492975      4.447216
  C      -6.889439     -5.690867      5.732085
  C      -7.092164     -7.055363      6.400304
  C      -8.508871     -7.253672      6.909733
  Cl     -8.676151     -8.835061      7.766008
  C      -7.347993     -2.986668      4.367307
  C      -7.107076     -1.731683      3.528331
  C      -8.076818     -1.634519      2.350997
  C      -8.049652     -2.923910      1.529032
  C      -8.296947     -4.139869      2.422448
  C      -2.529593     -5.314631      6.392083
  C      -3.622305     -5.331237      7.492010
  C      -3.222357     -4.851536      8.886332
  C      -4.388381     -4.956127      9.869626
  C      -4.054789     -4.495764     11.276480
  Cl     -2.793577     -5.542843     12.049117
  C      -1.479376     -6.401522      6.730290
  C      -0.182925     -6.223723      5.943982
  C       0.551214     -4.953833      6.421504
  C      -0.432811     -3.929947      7.014012
  C      -1.779231     -3.951861      6.286887
  H      -0.633697     -2.490329      0.978379
  H      -0.901227     -0.864876      1.557528
  H      -0.145053     -3.267983      3.304609
  H      -0.444749     -1.651196      3.932066
  H       1.591133     -2.019395      1.683772
  H       1.505861     -0.738155      2.893280
  H       2.145023     -2.493905      4.669764
  H       3.395985     -2.170722      3.432066
  H      -4.175272     -1.512912      3.177040
  H      -2.617336     -1.298833      4.010073
  H      -2.103715      0.611409      2.442307
  H      -3.615000      0.862093      3.308703
  H      -3.830080      1.391439      0.842369
  H      -4.936989      0.113962      1.364620
  H      -2.264828     -0.284976     -0.094360
  H      -3.872041     -0.569772     -0.755736
  H      -2.818862     -2.702548     -0.070189
  H      -4.299792     -2.388698      0.853634
  H      -8.754693     -5.352038      4.683147
  H      -7.636910     -6.415572      3.843519
  H      -7.124535     -4.892860      6.455506
  H      -5.814355     -5.595418      5.506972
  H      -6.395303     -7.153742      7.247326
  H      -6.847579     -7.861316      5.688799
  H      -9.247384     -7.268759      6.099646
  H      -8.788568     -6.478092      7.634574
  H      -6.676102     -3.005974      5.231251
  H      -8.371752     -2.956782      4.776726
  H      -7.182651     -0.838030      4.167488
  H      -6.078879     -1.752971      3.133160
  H      -7.828668     -0.767362      1.719583
  H      -9.099815     -1.468434      2.731137
  H      -7.069203     -3.013653      1.029712
  H      -8.807894     -2.890424      0.732044
  H      -8.386631     -5.062148      1.832841
  H      -9.271257     -4.015310      2.922195
  H      -4.481278     -4.734074      7.150447
  H      -4.004069     -6.364368      7.568612
  H      -2.383461     -5.445682      9.277477
  H      -2.876472     -3.805319      8.846011
  H      -4.760406     -5.993097      9.905211
  H      -5.230521     -4.332094      9.518631
  H      -3.647254     -3.476757     11.288228
  H      -4.927809     -4.543725     11.937086
  H      -1.902620     -7.407660      6.626122
  H      -1.250292     -6.303237      7.801772
  H      -0.408643     -6.142860      4.867047
  H       0.460555     -7.107854      6.055462
  H       1.302262     -5.218955      7.180676
  H       1.101368     -4.512591      5.579075
  H      -0.008048     -2.916299      6.952870
  H      -0.585328     -4.127035      8.085910
  H      -2.417351     -3.135354      6.649793
  H      -1.597482     -3.745411      5.220155
  N      -4.443431     -2.936880      5.176446
  H      -4.647724     -3.170158      6.151782
  H      -4.488421     -1.921001      5.066394
113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668098-AMqT/orca E -7160.720840898964
  N      -2.717742     -3.622991      2.519484
  C      -1.966874     -4.601877      1.713166
  C      -2.280743     -6.019700      2.156212
  N      -3.705139     -6.075145      2.533193
  C      -4.595096     -5.921930      1.372459
  C      -5.962171     -5.495974      1.856045
  N      -5.871113     -4.565629      2.993961
  Mo     -4.059201     -4.275601      3.830155
  N      -3.235874     -5.590460      5.079498
  C      -3.354110     -7.014875      4.743721
  C      -4.059768     -7.204390      3.410171
  H      -3.906111     -7.569125      5.523234
  H      -2.352837     -7.471189      4.691025
  H      -5.149070     -7.184353      3.542663
  H      -3.785549     -8.171948      2.955132
  H      -6.482284     -5.031189      1.004596
  H      -6.561612     -6.381763      2.131485
  H      -4.166340     -5.140963      0.732888
  H      -4.652071     -6.854233      0.783848
  H      -0.881154     -4.449182      1.816327
  H      -2.196153     -4.469092      0.642403
  H      -1.687909     -6.275753      3.041581
  H      -2.048863     -6.750281      1.362327
  C      -2.508261     -2.213227      2.043151
  C      -1.002976     -1.921445      1.846772
  C      -0.095359     -2.202565      3.041999
  C       1.359556     -1.825926      2.740543
  C       2.380904     -2.549308      3.595989
  Cl      2.440518     -4.319249      3.184801
  C      -3.121606     -1.218337      3.038737
  C      -3.130998      0.232316      2.548788
  C      -3.868215      0.357667      1.214476
  C      -3.284587     -0.601868      0.177488
  C      -3.262662     -2.044236      0.695308
  C      -7.253489     -4.295482      3.564316
  C      -7.688279     -5.492536      4.447531
  C      -6.889496     -5.690002      5.732323
  C      -7.091820     -7.054373      6.400833
  C      -8.508446     -7.253198      6.910200
  Cl     -8.675176     -8.834926      7.765988
  C      -7.348833     -2.986132      4.365096
  C      -7.107727     -1.732033      3.524753
  C      -8.077513     -1.636271      2.347365
  C      -8.050235     -2.926498      1.526710
  C      -8.297249     -4.141445      2.421391
  C      -2.529886     -5.313406      6.392372
  C      -3.622554     -5.331356      7.492360
  C      -3.222414     -4.852398      8.886937
  C      -4.388297     -4.957142      9.870351
  C      -4.054347     -4.497796     11.277432
  Cl     -2.793639     -5.546037     12.049316
  C      -1.478262     -6.399123      6.729937
  C      -0.182682     -6.219546      5.942694
  C       0.550578     -4.949582      6.421121
  C      -0.434279     -3.926974      7.014531
  C      -1.780991     -3.949666      6.287866
  H      -0.634753     -2.490052      0.977748
  H      -0.900237     -0.865189      1.559289
  H      -0.145233     -3.271072      3.303209
  H      -0.442288     -1.654362      3.932157
  H       1.591005     -2.025078      1.681685
  H       1.508082     -0.742706      2.890178
  H       2.147341     -2.497388      4.667533
  H       3.397352     -2.176629      3.428311
  H      -4.174093     -1.512384      3.179494
  H      -2.615789     -1.300334      4.012090
  H      -2.101220      0.611036      2.445511
  H      -3.611708      0.862180      3.313122
  H      -3.827848      1.394162      0.847571
  H      -4.935556      0.117103      1.369085
  H      -2.264696     -0.282358     -0.092204
  H      -3.872666     -0.565534     -0.752473
  H      -2.819736     -2.699355     -0.069806
  H      -4.300170     -2.386014      0.854899
  H      -8.754844     -5.351276      4.683859
  H      -7.637745     -6.415599      3.844525
  H      -7.124386     -4.891789      6.455598
  H      -5.814433     -5.594570      5.506851
  H      -6.394944     -7.152414      7.247856
  H      -6.846824     -7.860261      5.689382
  H      -9.246989     -7.268234      6.100133
  H      -8.788391     -6.477975      7.635324
  H      -6.677241     -3.004346      5.229301
  H      -8.372699     -2.955868      4.774204
  H      -7.183260     -0.837613      4.162829
  H      -6.079487     -1.753972      3.129729
  H      -7.829488     -0.769733      1.715017
  H      -9.100503     -1.469888      2.727364
  H      -7.069864     -3.016645      1.027250
  H      -8.808651     -2.894027      0.729849
  H      -8.386710     -5.064413      1.832841
  H      -9.271599     -4.016498      2.921003
  H      -4.481779     -4.734101      7.151445
  H      -4.004065     -6.364632      7.568366
  H      -2.383479     -5.446686      9.277744
  H      -2.876456     -3.806191      8.846914
  H      -4.760733     -5.993979      9.905397
  H      -5.230222     -4.332546      9.519852
  H      -3.646241     -3.479018     11.289714
  H      -4.927335     -4.545670     11.938084
  H      -1.900359     -7.405746      6.625975
  H      -1.248563     -6.300690      7.801254
  H      -0.409553     -6.137342      4.866081
  H       0.461733     -7.103211      6.052405
  H       1.302136     -5.214662      7.179791
  H       1.100092     -4.507300      5.578818
  H      -0.010489     -2.912883      6.954009
  H      -0.586273     -4.124990      8.086316
  H      -2.419715     -3.134113      6.651831
  H      -1.599874     -3.742125      5.221257
  N      -4.444912     -2.937610      5.176591
  H      -4.651467     -3.171967      6.151181
  H      -4.490353     -1.921680      5.067265
