79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8049.296594061294
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
  N      -4.779683     -2.751554      5.103792
  N      -5.209871     -1.716294      5.918327
  H      -4.850969     -1.852119      6.853430
  H      -6.220279     -1.705100      5.943383
  H      -4.871995     -0.836905      5.552005
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8049.695045319178
  N      -3.593668     -3.551005      2.182136
  C      -2.661173     -4.038017      1.188886
  C      -2.223774     -5.416798      1.681266
  N      -3.309862     -5.967780      2.520081
  C      -4.438239     -6.416327      1.653049
  C      -5.735707     -6.465874      2.466434
  N      -5.719605     -5.285310      3.301812
  Mo     -4.116960     -4.350255      3.849997
  N      -3.338331     -5.665749      4.998284
  C      -2.291556     -6.598608      4.629203
  C      -2.790015     -7.130839      3.287244
  H      -2.196448     -7.408462      5.358807
  H      -1.319356     -6.095012      4.531518
  H      -3.606308     -7.835204      3.471862
  H      -2.001610     -7.640959      2.726977
  H      -6.596281     -6.470712      1.788666
  H      -5.792882     -7.365407      3.098220
  H      -4.566822     -5.707909      0.829021
  H      -4.204869     -7.397220      1.228444
  H      -1.790088     -3.382925      1.080687
  H      -3.158647     -4.080916      0.209648
  H      -1.326508     -5.326257      2.301936
  H      -2.011126     -6.086064      0.841149
  C      -4.036213     -2.237480      2.122842
  C      -3.177248     -1.137113      1.920711
  C      -3.651163      0.155328      2.018787
  C      -4.967241      0.379892      2.394135
  F      -5.389619      1.641863      2.559670
  C      -5.859148     -0.678068      2.567391
  C      -7.226803     -0.519792      3.112248
  O      -8.100245     -1.343100      2.954708
  C      -7.427910      0.691909      4.028596
  O      -8.355674      1.458886      3.907210
  C      -6.362022      0.835183      5.070931
  O      -5.377058      0.106048      5.179958
  Cl     -6.535978      2.270642      6.015655
  C      -5.399819     -1.979121      2.333595
  C      -6.847475     -4.798277      3.923119
  C      -8.147946     -5.318596      3.983748
  C      -9.101490     -4.665864      4.751964
  C      -8.795899     -3.521816      5.477404
  F      -9.738720     -2.967945      6.256893
  C      -7.513370     -2.960277      5.447723
  C      -7.094924     -1.715295      6.153205
  O      -7.786870     -0.680169      6.176612
  C      -5.685310     -1.725615      6.680483
  O      -4.825225     -2.658757      6.426361
  C      -5.267394     -0.564005      7.522394
  O      -5.929298      0.259903      8.073139
  Cl     -3.523237     -0.547292      7.701381
  C      -6.586835     -3.620376      4.634051
  C      -3.704134     -5.518087      6.327587
  C      -2.749332     -5.342050      7.349225
  C      -3.146483     -5.107143      8.649739
  C      -4.498218     -5.031987      8.952237
  F      -4.869130     -4.760363     10.213348
  C      -5.472287     -5.261044      7.978702
  C      -6.918477     -5.176462      8.236778
  O      -7.761818     -5.415229      7.400843
  C      -7.338635     -4.628629      9.606360
  O      -7.770492     -5.260733     10.525371
  C      -7.199612     -3.100741      9.589732
  O      -6.331049     -2.513932      8.999661
  Cl     -8.473851     -2.293934     10.418775
  C      -5.057234     -5.536664      6.670618
  H      -2.134624     -1.291635      1.681542
  H      -3.003767      1.002471      1.849798
  H      -6.145449     -2.767944      2.279160
  H      -8.420515     -6.219341      3.455662
  H     -10.107744     -5.050844      4.816561
  H      -5.568204     -3.172168      4.513715
  H      -1.693911     -5.387998      7.119886
  H      -2.423458     -4.958365      9.437393
  H      -5.826271     -5.811203      5.956709
  N      -4.771266     -2.766209      5.107702
  N      -5.209035     -1.713324      5.929291
  H      -4.837154     -1.850088      6.912501
  H      -6.253293     -1.702050      5.960767
  H      -4.862554     -0.819390      5.548193
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.022815263032
  N      -3.591721     -3.553708      2.177781
  C      -2.658628     -4.039704      1.183785
  C      -2.220879     -5.418180      1.673220
  N      -3.306869     -5.971759      2.511839
  C      -4.436478     -6.419649      1.644308
  C      -5.733453     -6.472089      2.459258
  N      -5.720898     -5.292773      3.298057
  Mo     -4.115278     -4.356870      3.846818
  N      -3.334388     -5.675504      4.994755
  C      -2.286895     -6.607025      4.620876
  C      -2.785696     -7.136718      3.277692
  H      -2.190515     -7.418529      5.349182
  H      -1.314710     -6.102712      4.522807
  H      -3.601649     -7.842134      3.461332
  H      -1.996960     -7.645285      2.715284
  H      -6.594830     -6.476616      1.781655
  H      -5.788458     -7.373785      3.088974
  H      -4.565957     -5.709500      0.821671
  H      -4.202381     -7.400079      1.217350
  H      -1.787358     -3.383851      1.076499
  H      -3.156386     -4.081419      0.204171
  H      -1.323335     -5.328481      2.294184
  H      -2.007956     -6.086364      0.831591
  C      -4.033728     -2.238657      2.117903
  C      -3.172426     -1.138708      1.916575
  C      -3.641252      0.156182      2.010513
  C      -4.957401      0.385550      2.380507
  F      -5.375565      1.650323      2.541138
  C      -5.853670     -0.669011      2.554066
  C      -7.222559     -0.498753      3.094826
  O      -8.101893     -1.318726      2.939533
  C      -7.419702      0.721738      4.003521
  O      -8.345562      1.492090      3.872747
  C      -6.355573      0.871769      5.047346
  O      -5.367746      0.136257      5.162542
  Cl     -6.523887      2.315384      5.981335
  C      -5.397969     -1.974287      2.325065
  C      -6.852411     -4.808253      3.922637
  C      -8.152692     -5.332384      3.984028
  C      -9.111119     -4.685197      4.755038
  C      -8.815718     -3.540477      5.486143
  F      -9.765865     -2.995876      6.264131
  C      -7.537763     -2.968832      5.462954
  C      -7.135915     -1.710557      6.178273
  O      -7.832188     -0.671735      6.198133
  C      -5.705726     -1.716457      6.724557
  O      -4.811481     -2.685199      6.464529
  C      -5.275096     -0.538903      7.557207
  O      -5.945138      0.285304      8.096705
  Cl     -3.527078     -0.521934      7.742310
  C      -6.598624     -3.632079      4.637381
  C      -3.700892     -5.528079      6.325408
  C      -2.743572     -5.350533      7.345683
  C      -3.136925     -5.113646      8.647759
  C      -4.488148     -5.037117      8.953279
  F      -4.854210     -4.762570     10.215852
  C      -5.466053     -5.267277      7.982764
  C      -6.912891     -5.179639      8.246576
  O      -7.759689     -5.422028      7.412737
  C      -7.337545     -4.626416      9.615202
  O      -7.769819     -5.262227     10.534004
  C      -7.208853     -3.094026      9.605410
  O      -6.342758     -2.493746      9.021027
  Cl     -8.493241     -2.301853     10.437057
  C      -5.054471     -5.546534      6.671749
  H      -2.128844     -1.296743      1.679337
  H      -2.989514      1.001343      1.841040
  H      -6.146454     -2.760765      2.270218
  H      -8.422979     -6.233980      3.453384
  H     -10.116215     -5.076807      4.816833
  H      -5.569510     -3.182655      4.513934
  H      -1.687787     -5.396329      7.113260
  H      -2.410927     -4.963587      9.433985
  H      -5.825445     -5.821141      5.959349
  N      -4.761095     -2.779453      5.109762
  N      -5.206289     -1.709652      5.938606
  H      -4.821617     -1.847759      6.969523
  H      -6.283052     -1.697728      5.975367
  H      -4.851747     -0.802889      5.544269
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.292185005621
  N      -3.589416     -3.556009      2.172657
  C      -2.655529     -4.041448      1.178217
  C      -2.217787     -5.419628      1.664962
  N      -3.303965     -5.975632      2.503295
  C      -4.434882     -6.422753      1.635085
  C      -5.731510     -6.477831      2.451245
  N      -5.722856     -5.299715      3.293487
  Mo     -4.113801     -4.363052      3.843173
  N      -3.330868     -5.684995      4.991296
  C      -2.282708     -6.615203      4.612557
  C      -2.781720     -7.142453      3.268159
  H      -2.185212     -7.428332      5.339657
  H      -1.310446     -6.110283      4.514151
  H      -3.597460     -7.848816      3.450762
  H      -1.992623     -7.649599      2.703700
  H      -6.593537     -6.481990      1.773535
  H      -5.784560     -7.381731      3.078856
  H      -4.564896     -5.710844      0.813796
  H      -4.200090     -7.402812      1.205865
  H      -1.783887     -3.385001      1.071952
  H      -3.153378     -4.082018      0.198094
  H      -1.320079     -5.330882      2.286444
  H      -2.004510     -6.086937      0.821953
  C      -4.030730     -2.239305      2.112006
  C      -3.166761     -1.140108      1.911560
  C      -3.630333      0.157341      2.001259
  C      -4.946738      0.391415      2.365819
  F      -5.360652      1.659005      2.521590
  C      -5.847445     -0.659754      2.539646
  C      -7.217602     -0.478253      3.076452
  O      -8.102311     -1.295091      2.923086
  C      -7.411870      0.750295      3.978265
  O      -8.336362      1.523043      3.838447
  C      -6.349653      0.907443      5.023839
  O      -5.358865      0.166757      5.144586
  Cl     -6.513072      2.357857      5.948546
  C      -5.395428     -1.968947      2.315449
  C      -6.858319     -4.817636      3.921061
  C      -8.158409     -5.345756      3.982917
  C      -9.121375     -4.703987      4.756332
  C      -8.835430     -3.558729      5.492868
  F      -9.792601     -3.023069      6.269357
  C      -7.561949     -2.977695      5.476089
  C      -7.177061     -1.706540      6.201765
  O      -7.877350     -0.665153      6.218169
  C      -5.725537     -1.707528      6.767611
  O      -4.796769     -2.711673      6.501747
  C      -5.282587     -0.514029      7.591529
  O      -5.960660      0.309913      8.120033
  Cl     -3.530390     -0.496043      7.783041
  C      -6.611751     -3.643298      4.639647
  C      -3.698206     -5.537728      6.323491
  C      -2.738133     -5.358423      7.342234
  C      -3.126936     -5.119474      8.646054
  C      -4.477472     -5.041722      8.955185
  F      -4.838149     -4.764224     10.219396
  C      -5.459586     -5.273047      7.988294
  C      -6.906776     -5.182325      8.259374
  O      -7.757669     -5.428367      7.428474
  C      -7.336150     -4.624566      9.627568
  O      -7.768187     -5.265851     10.544943
  C      -7.219876     -3.087491      9.628348
  O      -6.357442     -2.471301      9.051937
  Cl     -8.515578     -2.314044     10.464724
  C      -5.052176     -5.556071      6.673940
  H      -2.122165     -1.301946      1.676437
  H      -2.974125      1.000501      1.831396
  H      -6.146705     -2.753183      2.260306
  H      -8.426500     -6.248300      3.449730
  H     -10.125473     -5.101898      4.815416
  H      -5.571446     -3.192701      4.513187
  H      -1.682024     -5.404036      7.106255
  H      -2.397515     -4.968033      9.430494
  H      -5.825454     -5.830801      5.963438
  N      -4.750101     -2.792094      5.111376
  N      -5.202851     -1.706467      5.946999
  H      -4.805509     -1.845970      7.025332
  H      -6.311385     -1.693978      5.988228
  H      -4.840649     -0.786969      5.539928
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.513407471202
  N      -3.586727     -3.557781      2.166780
  C      -2.651851     -4.043184      1.172247
  C      -2.214518     -5.421097      1.656600
  N      -3.301210     -5.979282      2.494533
  C      -4.433514     -6.425460      1.625466
  C      -5.729972     -6.482839      2.442419
  N      -5.725581     -5.305893      3.288095
  Mo     -4.112589     -4.368645      3.839090
  N      -3.327922     -5.694052      4.988010
  C      -2.279172     -6.622999      4.604371
  C      -2.778219     -7.147914      3.258785
  H      -2.180765     -7.437710      5.330369
  H      -1.306729     -6.117618      4.505708
  H      -3.593902     -7.855077      3.440277
  H      -1.988744     -7.653804      2.692403
  H      -6.592455     -6.486544      1.764296
  H      -5.781359     -7.388963      3.067893
  H      -4.563625     -5.711760      0.805476
  H      -4.198090     -7.405243      1.194101
  H      -1.779637     -3.386349      1.067120
  H      -3.149572     -4.082650      0.191476
  H      -1.316780     -5.333448      2.278847
  H      -2.000811     -6.087768      0.812382
  C      -4.027129     -2.239303      2.105108
  C      -3.160149     -1.141266      1.905600
  C      -3.618351      0.158820      1.990981
  C      -4.935203      0.397406      2.350105
  F      -5.344891      1.667783      2.501118
  C      -5.840327     -0.650471      2.524194
  C      -7.211757     -0.458943      3.057348
  O      -8.101082     -1.273026      2.905511
  C      -7.404533      0.776564      3.953413
  O      -8.328415      1.550515      3.805298
  C      -6.344355      0.941065      5.000938
  O      -5.350457      0.196824      5.126380
  Cl     -6.504095      2.396493      5.918462
  C      -5.392014     -1.963107      2.304741
  C      -6.865370     -4.826152      3.918309
  C      -8.165248     -5.358455      3.980283
  C      -9.132405     -4.721958      4.755617
  C      -8.855074     -3.576293      5.497262
  F      -9.818935     -3.049152      6.272247
  C      -7.585839     -2.986769      5.486714
  C      -7.218140     -1.703362      6.223196
  O      -7.921920     -0.660850      6.236228
  C      -5.744560     -1.699013      6.809238
  O      -4.780853     -2.738351      6.537686
  C      -5.289853     -0.489470      7.624984
  O      -5.975900      0.333668      8.142766
  Cl     -3.533201     -0.469673      7.823230
  C      -6.626416     -3.653767      4.640752
  C      -3.696202     -5.546878      6.321940
  C      -2.733134     -5.365572      7.338924
  C      -3.116595     -5.124452      8.644636
  C      -4.466258     -5.045580      8.957931
  F      -4.821077     -4.765066     10.223905
  C      -5.452901     -5.278105      7.995251
  C      -6.900060     -5.184176      8.275089
  O      -7.755705     -5.433855      7.448080
  C      -7.334227     -4.622771      9.643389
  O      -7.765311     -5.271276     10.558052
  C      -7.232383     -3.080983      9.658502
  O      -6.374869     -2.446635      9.092446
  Cl     -8.540364     -2.330424     10.501779
  C      -5.050392     -5.565051      6.677282
  H      -2.114507     -1.307202      1.672777
  H      -2.957609      0.999971      1.820820
  H      -6.145968     -2.745269      2.249508
  H      -8.431204     -6.262039      3.444597
  H     -10.135662     -5.125791      4.812090
  H      -5.574162     -3.202208      4.511383
  H      -1.676776     -5.411004      7.098891
  H      -2.383314     -4.971539      9.426899
  H      -5.826348     -5.839906      5.969066
  N      -4.738072     -2.804151      5.112415
  N      -5.198583     -1.703848      5.954224
  H      -4.788641     -1.844860      7.079620
  H      -6.338066     -1.690898      5.998888
  H      -4.829357     -0.772107      5.535261
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.695332771776
  N      -3.583931     -3.558842      2.160383
  C      -2.647863     -4.044692      1.166122
  C      -2.211194     -5.422334      1.648366
  N      -3.298642     -5.982519      2.485806
  C      -4.432412     -6.427615      1.615800
  C      -5.728864     -6.486997      2.433157
  N      -5.729222     -5.311235      3.282202
  Mo     -4.111827     -4.373531      3.834818
  N      -3.325605     -5.702460      4.985161
  C      -2.276269     -6.630100      4.596552
  C      -2.775121     -7.152838      3.249841
  H      -2.177074     -7.446324      5.321546
  H      -1.303600     -6.124321      4.497717
  H      -3.590844     -7.860705      3.430168
  H      -1.985242     -7.657573      2.681658
  H      -6.591599     -6.490217      1.754328
  H      -5.778831     -7.395340      3.056470
  H      -4.562235     -5.712101      0.797073
  H      -4.196367     -7.407185      1.182423
  H      -1.774958     -3.387604      1.062233
  H      -3.145253     -4.083138      0.184588
  H      -1.313557     -5.335857      2.271604
  H      -1.996943     -6.088590      0.803137
  C      -4.023224     -2.238480      2.097310
  C      -3.152855     -1.142088      1.898820
  C      -3.605414      0.160722      1.979698
  C      -4.922823      0.403718      2.333279
  F      -5.328229      1.676872      2.479532
  C      -5.832393     -0.640889      2.507625
  C      -7.204991     -0.440181      3.037364
  O      -8.098479     -1.251521      2.886693
  C      -7.397052      0.801291      3.928744
  O      -8.320694      1.575733      3.773076
  C      -6.339019      0.972779      4.978478
  O      -5.342381      0.226120      5.107958
  Cl     -6.495791      2.431579      5.890909
  C      -5.387984     -1.956558      2.292962
  C      -6.873884     -4.833802      3.914706
  C      -8.173451     -5.370682      3.976491
  C      -9.144533     -4.739436      4.753199
  C      -8.874935     -3.593467      5.499496
  F      -9.845135     -3.074434      6.273077
  C      -7.609575     -2.996513      5.494689
  C      -7.259000     -1.701749      6.242303
  O      -7.965636     -0.659942      6.252127
  C      -5.762659     -1.691565      6.849131
  O      -4.763489     -2.765785      6.572099
  C      -5.296973     -0.465870      7.657228
  O      -5.990942      0.355938      8.164729
  Cl     -3.535643     -0.443422      7.862332
  C      -6.643126     -3.663528      4.640956
  C      -3.694874     -5.555389      6.321029
  C      -2.728579     -5.371773      7.335938
  C      -3.105974     -5.128408      8.643637
  C      -4.454626     -5.048641      8.961521
  F      -4.803327     -4.765058     10.229289
  C      -5.445965     -5.282496      8.003531
  C      -6.892650     -5.185331      8.293290
  O      -7.753626     -5.438680      7.471146
  C      -7.331566     -4.621077      9.662073
  O      -7.760957     -5.278238     10.572881
  C      -7.245852     -3.074800      9.694565
  O      -6.394427     -2.420830      9.140918
  Cl     -8.566708     -2.350663     10.546554
  C      -5.048984     -5.573441      6.681926
  H      -2.106172     -1.312505      1.668563
  H      -2.940017      0.999757      1.809331
  H      -6.144574     -2.736751      2.237926
  H      -8.437211     -6.275422      3.438389
  H     -10.147037     -5.148901      4.807238
  H      -5.578182     -3.211450      4.508667
  H      -1.672078     -5.416924      7.091354
  H      -2.368490     -4.973868      9.423344
  H      -5.827921     -5.848437      5.976316
  N      -4.724896     -2.816038      5.112827
  N      -5.193504     -1.702292      5.960179
  H      -4.770898     -1.845001      7.132047
  H      -6.362969     -1.689107      6.007072
  H      -4.818144     -0.758962      5.530379
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.845104258912
  N      -3.581341     -3.559246      2.153719
  C      -2.643804     -4.045888      1.160122
  C      -2.207663     -5.423112      1.640573
  N      -3.295959     -5.985085      2.477509
  C      -4.431272     -6.428901      1.606817
  C      -5.727827     -6.489841      2.424520
  N      -5.733539     -5.315310      3.276690
  Mo     -4.111590     -4.377813      3.830576
  N      -3.323684     -5.709920      4.982881
  C      -2.273514     -6.636051      4.589289
  C      -2.771841     -7.156839      3.241669
  H      -2.173458     -7.453669      5.313385
  H      -1.300714     -6.129749      4.490374
  H      -3.587560     -7.865445      3.420857
  H      -1.981510     -7.660398      2.671765
  H      -6.590651     -6.492561      1.744785
  H      -5.776561     -7.400346      3.045710
  H      -4.560594     -5.711585      0.789323
  H      -4.194675     -7.408317      1.171553
  H      -1.770269     -3.388506      1.057476
  H      -3.140692     -4.083596      0.177737
  H      -1.310248     -5.337754      2.264977
  H      -1.992663     -6.089133      0.794532
  C      -4.019468     -2.236933      2.088536
  C      -3.145354     -1.142662      1.891094
  C      -3.591698      0.163053      1.966937
  C      -4.909560      0.410668      2.314581
  F      -5.310597      1.686852      2.455750
  C      -5.823667     -0.630500      2.489248
  C      -7.196961     -0.420081      3.015555
  O      -8.095379     -1.227373      2.866198
  C      -7.387078      0.827073      3.902754
  O      -8.309182      1.602644      3.740135
  C      -6.331124      1.004084      4.955549
  O      -5.334397      0.254647      5.089211
  Cl     -6.484038      2.465217      5.864170
  C      -5.383765     -1.949207      2.279762
  C      -6.884140     -4.840284      3.911050
  C      -8.183302     -5.382038      3.972616
  C      -9.158878     -4.756613      4.749892
  C      -8.896784     -3.610536      5.500065
  F      -9.873170     -3.099545      6.272571
  C      -7.634715     -3.007244      5.500093
  C      -7.300828     -1.702865      6.258727
  O      -8.009973     -0.664145      6.265919
  C      -5.780810     -1.686263      6.886896
  O      -4.745605     -2.794968      6.604591
  C      -5.305431     -0.444600      7.687845
  O      -6.007046      0.375419      8.186198
  Cl     -3.539517     -0.418545      7.899717
  C      -6.663194     -3.672270      4.641019
  C      -3.693871     -5.563145      6.320957
  C      -2.724196     -5.376829      7.333459
  C      -3.094906     -5.131393      8.643221
  C      -4.442454     -5.051286      8.966021
  F      -4.785045     -4.764788     10.235586
  C      -5.438417     -5.286651      8.013050
  C      -6.884079     -5.186460      8.313599
  O      -7.750991     -5.443392      7.497302
  C      -7.327317     -4.620387      9.683290
  O      -7.754190     -5.287480     10.589192
  C      -7.258856     -3.070114      9.735870
  O      -6.414446     -2.395772      9.196416
  Cl     -8.592524     -2.375286     10.598452
  C      -5.047421     -5.581380      6.687940
  H      -2.097678     -1.318081      1.663822
  H      -2.921366      0.999644      1.796345
  H      -6.143137     -2.727367      2.225345
  H      -8.444280     -6.288044      3.432090
  H     -10.160432     -5.172020      4.801509
  H      -5.584976     -3.221284      4.505104
  H      -1.667691     -5.421385      7.083859
  H      -2.353000     -4.975031      9.420016
  H      -5.829551     -5.856560      5.985145
  N      -4.711136     -2.829285      5.111769
  N      -5.188845     -1.702587      5.964858
  H      -4.753600     -1.847276      7.182057
  H      -6.387639     -1.689588      6.012621
  H      -4.808634     -0.748690      5.525688
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8050.968241882446
  N      -3.578199     -3.558754      2.146920
  C      -2.639166     -4.046874      1.154324
  C      -2.204263     -5.423866      1.633314
  N      -3.293721     -5.987057      2.469646
  C      -4.430889     -6.429007      1.598406
  C      -5.727553     -6.490740      2.416316
  N      -5.738442     -5.317397      3.271540
  Mo     -4.111315     -4.381234      3.826448
  N      -3.322268     -5.716618      4.981215
  C      -2.271593     -6.641360      4.582550
  C      -2.769493     -7.160136      3.234170
  H      -2.170939     -7.460399      5.305751
  H      -1.298505     -6.134865      4.483639
  H      -3.585507     -7.869130      3.412211
  H      -1.978924     -7.662840      2.662576
  H      -6.590332     -6.492619      1.735501
  H      -5.775556     -7.403446      3.035276
  H      -4.559164     -5.709768      0.782181
  H      -4.194292     -7.408398      1.161281
  H      -1.764675     -3.389641      1.052905
  H      -3.135366     -4.083849      0.171005
  H      -1.307211     -5.340061      2.259084
  H      -1.988652     -6.089939      0.786652
  C      -4.014781     -2.234588      2.079362
  C      -3.136664     -1.142828      1.882784
  C      -3.577329      0.165698      1.953628
  C      -4.896061      0.417251      2.295559
  F      -5.293740      1.696207      2.431952
  C      -5.814201     -0.620773      2.470706
  C      -7.188075     -0.402621      2.993885
  O      -8.090597     -1.206295      2.845956
  C      -7.377955      0.849120      3.877829
  O      -8.299048      1.624419      3.709608
  C      -6.323701      1.032039      4.933879
  O      -5.327562      0.281749      5.070355
  Cl     -6.474539      2.493840      5.840565
  C      -5.378318     -1.941700      2.266384
  C      -6.895104     -4.844959      3.906987
  C      -8.193649     -5.391572      3.968064
  C      -9.173715     -4.771925      4.745280
  C      -8.918500     -3.625860      5.498668
  F      -9.900459     -3.122140      6.270142
  C      -7.659201     -3.017320      5.503055
  C      -7.342397     -1.705568      6.271857
  O      -8.053519     -0.671497      6.276417
  C      -5.798631     -1.682084      6.922385
  O      -4.726696     -2.825007      6.635675
  C      -5.314776     -0.424817      7.716086
  O      -6.024117      0.392983      8.205642
  Cl     -3.544442     -0.394264      7.935197
  C      -6.684485     -3.678912      4.641005
  C      -3.693149     -5.570414      6.321610
  C      -2.719883     -5.381592      7.331386
  C      -3.083451     -5.134160      8.643238
  C      -4.429914     -5.053564      8.971081
  F      -4.766461     -4.764163     10.242441
  C      -5.430419     -5.290111      8.023251
  C      -6.874497     -5.186455      8.334790
  O      -7.747866     -5.446610      7.525050
  C      -7.321700     -4.619230      9.705466
  O      -7.745730     -5.296940     10.605660
  C      -7.270918     -3.065644      9.779668
  O      -6.434095     -2.371142      9.255655
  Cl     -8.617148     -2.401833     10.653854
  C      -5.045731     -5.588546      6.695001
  H      -2.088076     -1.323263      1.658558
  H      -2.902471      1.000039      1.782834
  H      -6.139995     -2.718319      2.213054
  H      -8.451578     -6.298784      3.425177
  H     -10.174308     -5.192996      4.794518
  H      -5.592861     -3.229956      4.501418
  H      -1.663542     -5.425701      7.076404
  H      -2.336989     -4.976185      9.416879
  H      -5.831187     -5.863529      5.995065
  N      -4.696550     -2.842039      5.110296
  N      -5.183872     -1.703978      5.967943
  H      -4.736102     -1.850906      7.230054
  H      -6.411068     -1.691392      6.014908
  H      -4.800117     -0.741166      5.521022
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.069533771875
  N      -3.575067     -3.556924      2.140487
  C      -2.634552     -4.047104      1.149211
  C      -2.201363     -5.423994      1.627029
  N      -3.292125     -5.988048      2.462698
  C      -4.431443     -6.427768      1.591109
  C      -5.728216     -6.489805      2.408997
  N      -5.744302     -5.317649      3.267149
  Mo     -4.111321     -4.383480      3.822909
  N      -3.321494     -5.722160      4.980695
  C      -2.270572     -6.645483      4.576817
  C      -2.768096     -7.162266      3.227841
  H      -2.169458     -7.465947      5.299082
  H      -1.297104     -6.138998      4.478000
  H      -3.584611     -7.871374      3.404740
  H      -1.977482     -7.664326      2.654591
  H      -6.590775     -6.490714      1.726936
  H      -5.775845     -7.404699      3.025636
  H      -4.558234     -5.706516      0.776196
  H      -4.195190     -7.407179      1.152197
  H      -1.758922     -3.390338      1.048970
  H      -3.129918     -4.083408      0.164926
  H      -1.304794     -5.342014      2.254306
  H      -1.985240     -6.090373      0.779989
  C      -4.009760     -2.231033      2.070088
  C      -3.127434     -1.142188      1.874131
  C      -3.562895      0.169011      1.939835
  C      -4.882775      0.423913      2.276130
  F      -5.277986      1.705295      2.407842
  C      -5.804533     -0.611155      2.452023
  C      -7.178768     -0.386735      2.972358
  O      -8.084930     -1.186932      2.826095
  C      -7.369174      0.868737      3.853715
  O      -8.289505      1.643120      3.681282
  C      -6.315787      1.057092      4.912873
  O      -5.321015      0.306931      5.050887
  Cl     -6.465485      2.518306      5.819340
  C      -5.372319     -1.933621      2.253070
  C      -6.907173     -4.848222      3.902900
  C      -8.204707     -5.400323      3.963176
  C      -9.189204     -4.786475      4.739784
  C      -8.940113     -3.640350      5.495689
  F      -9.926965     -3.143122      6.266234
  C      -7.682879     -3.027661      5.503560
  C      -7.382488     -1.710714      6.281410
  O      -8.095105     -0.682528      6.283355
  C      -5.814947     -1.679857      6.955014
  O      -4.705654     -2.856431      6.665056
  C      -5.323769     -0.407347      7.741185
  O      -6.040798      0.407910      8.222414
  Cl     -3.549148     -0.371703      7.967373
  C      -6.707215     -3.683913      4.641123
  C      -3.692700     -5.576974      6.323459
  C      -2.715668     -5.385840      7.330150
  C      -3.071883     -5.136632      8.644071
  C      -4.417345     -5.055574      8.976902
  F      -4.748155     -4.763396     10.249946
  C      -5.422195     -5.293027      8.034131
  C      -6.864239     -5.185700      8.356178
  O      -7.744225     -5.448869      7.553415
  C      -7.315280     -4.617956      9.727641
  O      -7.736296     -5.306617     10.621560
  C      -7.282398     -3.061881      9.823830
  O      -6.453436     -2.348043      9.315955
  Cl     -8.640813     -2.429945     10.709925
  C      -5.043887     -5.594886      6.703352
  H      -2.078053     -1.327647      1.653093
  H      -2.883921      1.001223      1.768804
  H      -6.135857     -2.709152      2.201458
  H      -8.459203     -6.308792      3.418119
  H     -10.188732     -5.213001      4.786878
  H      -5.602220     -3.237692      4.497940
  H      -1.659681     -5.429494      7.069511
  H      -2.320906     -4.977219      9.414405
  H      -5.832663     -5.869251      6.006168
  N      -4.680658     -2.854289      5.108807
  N      -5.177696     -1.707241      5.969027
  H      -4.717202     -1.856717      7.275340
  H      -6.432055     -1.695341      6.013525
  H      -4.791944     -0.737485      5.516057
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.153156965780
  N      -3.572179     -3.553478      2.134891
  C      -2.630194     -4.046246      1.145253
  C      -2.199084     -5.423152      1.622170
  N      -3.291218     -5.987779      2.457093
  C      -4.432938     -6.424958      1.585401
  C      -5.729843     -6.486872      2.402981
  N      -5.751172     -5.315918      3.263868
  Mo     -4.111717     -4.384332      3.820315
  N      -3.321452     -5.726248      4.981692
  C      -2.270491     -6.648067      4.572489
  C      -2.767647     -7.162902      3.223089
  H      -2.169020     -7.469969      5.293737
  H      -1.296587     -6.141742      4.473918
  H      -3.584837     -7.871878      3.398828
  H      -1.977165     -7.664503      2.648250
  H      -6.591962     -6.486766      1.719486
  H      -5.777463     -7.403901      3.017234
  H      -4.557833     -5.701621      0.771839
  H      -4.197317     -7.404406      1.144793
  H      -1.753310     -3.390215      1.046125
  H      -3.124573     -4.081982      0.159981
  H      -1.303127     -5.343204      2.251078
  H      -1.982506     -6.090064      0.775008
  C      -4.004697     -2.226054      2.061074
  C      -3.118105     -1.140408      1.865422
  C      -3.549034      0.173234      1.925756
  C      -4.870295      0.430838      2.256437
  F      -5.264075      1.714228      2.383473
  C      -5.795189     -0.601490      2.433417
  C      -7.169529     -0.372081      2.951160
  O      -8.079067     -1.168839      2.806967
  C      -7.360680      0.886424      3.830419
  O      -8.280258      1.659693      3.655333
  C      -6.306894      1.079283      4.892348
  O      -5.314468      0.329636      5.030516
  Cl     -6.455917      2.538995      5.800070
  C      -5.366176     -1.924917      2.240171
  C      -6.920383     -4.850008      3.899042
  C      -8.216399     -5.408475      3.958150
  C      -9.205492     -4.800504      4.733591
  C      -8.961953     -3.654142      5.491250
  F      -9.953038     -3.162612      6.260957
  C      -7.705905     -3.038420      5.501495
  C      -7.420377     -1.718714      6.286778
  O      -8.134019     -0.697158      6.286124
  C      -5.829202     -1.680135      6.984003
  O      -4.682057     -2.889687      6.692355
  C      -5.331838     -0.392939      7.762159
  O      -6.056272      0.419634      8.235759
  Cl     -3.553141     -0.352046      7.994892
  C      -6.731324     -3.687188      4.641533
  C      -3.692498     -5.582753      6.326808
  C      -2.711598     -5.389652      7.330131
  C      -3.060494     -5.139123      8.646074
  C      -4.405069     -5.057697      8.983697
  F      -4.730630     -4.763046     10.258277
  C      -5.413971     -5.295658      8.045697
  C      -6.853604     -5.184499      8.377282
  O      -7.740211     -5.450358      7.581684
  C      -7.308075     -4.616829      9.749234
  O      -7.726030     -5.316261     10.636707
  C      -7.292478     -3.059166      9.866514
  O      -6.471139     -2.327766      9.374533
  Cl     -8.662065     -2.458357     10.764473
  C      -5.041900     -5.600420      6.713068
  H      -2.068058     -1.330738      1.647747
  H      -2.866481      1.003495      1.754413
  H      -6.131044     -2.699883      2.191033
  H      -8.466899     -6.318272      3.411164
  H     -10.203758     -5.232392      4.778763
  H      -5.613515     -3.244597      4.494913
  H      -1.656161     -5.432764      7.063699
  H      -2.305190     -4.978548      9.413063
  H      -5.833889     -5.873604      6.018364
  N      -4.663353     -2.866161      5.107409
  N      -5.169955     -1.712920      5.967598
  H      -4.696448     -1.865344      7.317125
  H      -6.450084     -1.701913      6.007904
  H      -4.783952     -0.738716      5.510554
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.222655690852
  N      -3.569666     -3.548282      2.130535
  C      -2.626221     -4.044119      1.142832
  C      -2.197474     -5.421180      1.619082
  N      -3.290999     -5.986135      2.453130
  C      -4.435309     -6.420506      1.581622
  C      -5.732382     -6.481867      2.398610
  N      -5.758953     -5.312096      3.261975
  Mo     -4.112525     -4.383664      3.818918
  N      -3.322164     -5.728693      4.984427
  C      -2.271337     -6.648921      4.569835
  C      -2.768112     -7.161898      3.220181
  H      -2.169585     -7.472288      5.289952
  H      -1.296954     -6.142869      4.471718
  H      -3.586135     -7.870509      3.394734
  H      -1.977920     -7.663232      2.643870
  H      -6.593811     -6.480764      1.713487
  H      -5.780385     -7.400934      3.010460
  H      -4.557932     -5.695034      0.769443
  H      -4.200606     -7.399994      1.139418
  H      -1.748010     -3.389056      1.044748
  H      -3.119450     -4.079411      0.156564
  H      -1.302262     -5.343422      2.249734
  H      -1.980455     -6.088804      0.772043
  C      -3.999802     -2.219567      2.052681
  C      -3.109064     -1.137243      1.856943
  C      -3.536357      0.178522      1.911630
  C      -4.859193      0.438132      2.236701
  F      -5.252681      1.723060      2.358995
  C      -5.786706     -0.591700      2.415193
  C      -7.160901     -0.358327      2.930588
  O      -8.073705     -1.151629      2.789008
  C      -7.352603      0.902749      3.808024
  O      -8.271229      1.675051      3.631920
  C      -6.296810      1.098879      4.872262
  O      -5.307914      0.349566      5.009098
  Cl     -6.445232      2.556550      5.782394
  C      -5.360265     -1.915649      2.228084
  C      -6.934535     -4.850277      3.895550
  C      -8.228384     -5.416108      3.953066
  C      -9.222490     -4.814121      4.726768
  C      -8.984291     -3.667246      5.485398
  F      -9.979007     -3.180635      6.254231
  C      -7.728524     -3.049433      5.496880
  C      -7.455587     -1.729581      6.287437
  O      -8.169824     -0.714791      6.284235
  C      -5.841130     -1.683145      7.008594
  O      -4.655837     -2.924966      6.717201
  C      -5.338691     -0.382070      7.778080
  O      -6.069922      0.427867      8.245000
  Cl     -3.556166     -0.336230      8.016544
  C      -6.756453     -3.688630      4.642268
  C      -3.692443     -5.587803      6.331844
  C      -2.707652     -5.393311      7.331654
  C      -3.049491     -5.142190      8.649577
  C      -4.393295     -5.060498      8.991710
  F      -4.714159     -4.763885     10.267687
  C      -5.405921     -5.298354      8.058017
  C      -6.842874     -5.183155      8.397784
  O      -7.735937     -5.451156      7.609208
  C      -7.300108     -4.616125      9.769908
  O      -7.715184     -5.325674     10.651120
  C      -7.300261     -3.057742      9.906320
  O      -6.485688     -2.311347      9.429141
  Cl     -8.679439     -2.485606     10.815773
  C      -5.039763     -5.605260      6.724145
  H      -2.058470     -1.332094      1.642807
  H      -2.850882      1.007083      1.739852
  H      -6.125832     -2.690648      2.182271
  H      -8.474146     -6.327322      3.404426
  H     -10.219216     -5.251431      4.770148
  H      -5.627127     -3.250742      4.492513
  H      -1.652945     -5.435747      7.059455
  H      -2.290162     -4.980899      9.413309
  H      -5.834787     -5.876506      6.031501
  N      -4.644777     -2.877722      5.106122
  N      -5.160578     -1.721261      5.963188
  H      -4.673729     -1.877132      7.354624
  H      -6.464944     -1.711228      5.997578
  H      -4.776207     -0.745594      5.504328
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.280920615863
  N      -3.567648     -3.541341      2.127689
  C      -2.622743     -4.040673      1.142185
  C      -2.196558     -5.418044      1.617940
  N      -3.291438     -5.983176      2.450944
  C      -4.438442     -6.414551      1.579930
  C      -5.735700     -6.474953      2.396086
  N      -5.767468     -5.306273      3.261609
  Mo     -4.113752     -4.381464      3.818845
  N      -3.323586     -5.729438      4.988976
  C      -2.273018     -6.647988      4.568965
  C      -2.769401     -7.159283      3.219217
  H      -2.171017     -7.472855      5.287815
  H      -1.298139     -6.142278      4.471533
  H      -3.588384     -7.867334      3.392563
  H      -1.979620     -7.660553      2.641603
  H      -6.596194     -6.472947      1.709157
  H      -5.784474     -7.395909      3.005585
  H      -4.558494     -5.686941      0.769133
  H      -4.204939     -7.394084      1.136230
  H      -1.743179     -3.386759      1.045081
  H      -3.114656     -4.075647      0.154913
  H      -1.302219     -5.342565      2.250433
  H      -1.979047     -6.086492      0.771233
  C      -3.995298     -2.211590      2.045148
  C      -3.100681     -1.132552      1.848876
  C      -3.525321      0.184956      1.897564
  C      -4.849834      0.445947      2.216985
  F      -5.244066      1.731975      2.334344
  C      -5.779490     -0.581609      2.397508
  C      -7.153279     -0.344835      2.910808
  O      -8.069436     -1.134576      2.772471
  C      -7.344879      0.918627      3.786467
  O      -8.262142      1.690469      3.610935
  C      -6.285325      1.116496      4.852509
  O      -5.301375      0.366699      4.986634
  Cl     -6.432796      2.571898      5.765945
  C      -5.354958     -1.905858      2.217058
  C      -6.949273     -4.849198      3.892440
  C      -8.240141     -5.423436      3.947879
  C      -9.239879     -4.827557      4.719295
  C      -9.007286     -3.679804      5.478163
  F     -10.005143     -3.197454      6.245867
  C      -7.751085     -3.060390      5.489972
  C      -7.488009     -1.742968      6.283195
  O      -8.202569     -0.734562      6.277626
  C      -5.850806     -1.688767      7.028258
  O      -4.627285     -2.962118      6.739375
  C      -5.344349     -0.374885      7.788279
  O      -6.081454      0.432616      8.249701
  Cl     -3.558230     -0.324808      8.031409
  C      -6.782050     -3.688315      4.643212
  C      -3.692368     -5.592298      6.338645
  C      -2.703733     -5.397237      7.334958
  C      -3.038944     -5.146536      8.654841
  C      -4.382070     -5.064644      9.001193
  F      -4.698739     -4.766783     10.278461
  C      -5.398130     -5.301536      8.071245
  C      -6.832265     -5.181976      8.417632
  O      -7.731454     -5.451331      7.635581
  C      -7.291452     -4.616135      9.789690
  O      -7.704057     -5.334834     10.665053
  C      -7.305145     -3.057761      9.942686
  O      -6.496026     -2.299261      9.478714
  Cl     -8.692015     -2.510649     10.863073
  C      -5.037440     -5.609638      6.736553
  H      -2.049635     -1.331450      1.638457
  H      -2.837607      1.012098      1.725165
  H      -6.120570     -2.681482      2.175495
  H      -8.480262     -6.336174      3.397894
  H     -10.234707     -5.270535      4.760881
  H      -5.643388     -3.256203      4.490839
  H      -1.649903     -5.438830      7.057161
  H      -2.275946     -4.985163      9.415516
  H      -5.835288     -5.877993      6.045444
  N      -4.625366     -2.888879      5.104976
  N      -5.149823     -1.732147      5.955511
  H      -4.649247     -1.892091      7.387222
  H      -6.476818     -1.723049      5.982362
  H      -4.769014     -0.758335      5.497261
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.330370075249
  N      -3.566252     -3.532757      2.126542
  C      -2.619889     -4.035937      1.143454
  C      -2.196339     -5.413800      1.618788
  N      -3.292482     -5.979104      2.450535
  C      -4.442182     -6.407406      1.580324
  C      -5.739618     -6.466512      2.395472
  N      -5.776496     -5.298755      3.262787
  Mo     -4.115379     -4.377853      3.820136
  N      -3.325616     -5.728622      4.995315
  C      -2.275383     -6.645415      4.569839
  C      -2.771380     -7.155259      3.220138
  H      -2.173100     -7.471842      5.287260
  H      -1.300007     -6.140069      4.473324
  H      -3.591403     -7.862608      3.392269
  H      -1.982086     -7.656663      2.641427
  H      -6.598957     -6.463780      1.706596
  H      -5.789505     -7.389175      3.002735
  H      -4.559479     -5.677692      0.770886
  H      -4.210136     -7.386976      1.135206
  H      -1.738995     -3.383283      1.047285
  H      -3.110327     -4.070709      0.155175
  H      -1.302990     -5.340611      2.253199
  H      -1.978207     -6.083078      0.772547
  C      -3.991402     -2.202217      2.038613
  C      -3.093287     -1.126307      1.841322
  C      -3.516195      0.192578      1.883524
  C      -4.842377      0.454511      2.197144
  F      -5.238165      1.741309      2.309200
  C      -5.773784     -0.570946      2.380276
  C      -7.146904     -0.330852      2.891676
  O      -8.066628     -1.116856      2.757221
  C      -7.337494      0.935076      3.765423
  O      -8.252845      1.707152      3.591876
  C      -6.272548      1.133080      4.832935
  O      -5.295071      0.381568      4.963273
  Cl     -6.418606      2.586152      5.750358
  C      -5.350560     -1.895500      2.207154
  C      -6.964170     -4.847110      3.889677
  C      -8.251119     -5.430734      3.942516
  C      -9.257187     -4.841072      4.711181
  C      -9.030934     -3.692034      5.469696
  F     -10.031600     -3.213468      6.235789
  C      -7.773953     -3.070874      5.481365
  C      -7.517773     -1.758129      6.274393
  O      -8.232557     -0.755343      6.266838
  C      -5.858477     -1.696483      7.042917
  O      -4.596898     -3.000557      6.759035
  C      -5.348975     -0.371116      7.792553
  O      -6.090783      0.434293      8.249832
  Cl     -3.559434     -0.317811      8.039066
  C      -6.807456     -3.686520      4.644179
  C      -3.692047     -5.596621      6.347212
  C      -2.699673     -5.402099      7.340217
  C      -3.028809     -5.153110      8.662069
  C      -4.371327     -5.071002      9.012352
  F      -4.684210     -4.772789     10.290854
  C      -5.390598     -5.305827      8.085540
  C      -6.821918     -5.181397      8.436887
  O      -7.726824     -5.451077      7.660600
  C      -7.282162     -4.617106      9.808695
  O      -7.692911     -5.343664     10.678852
  C      -7.306715     -3.059261      9.975234
  O      -6.501477     -2.291684      9.522449
  Cl     -8.699242     -2.532576     10.905763
  C      -5.034842     -5.614012      6.750235
  H      -2.041851     -1.328739      1.634831
  H      -2.826846      1.018545      1.710261
  H      -6.115615     -2.672263      2.170796
  H      -8.484631     -6.345099      3.391507
  H     -10.249718     -5.290121      4.750842
  H      -5.662550     -3.261061      4.489977
  H      -1.646820     -5.442659      7.057111
  H      -2.262525     -4.992485      9.419997
  H      -5.835295     -5.878322      6.060055
  N      -4.605687     -2.899319      5.104195
  N      -5.138112     -1.745067      5.944656
  H      -4.623326     -1.909846      7.414688
  H      -6.486142     -1.736742      5.962547
  H      -4.762701     -0.776479      5.489410
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.372849223125
  N      -3.565619     -3.522728      2.127216
  C      -2.617829     -4.030046      1.146681
  C      -2.196803     -5.408582      1.621550
  N      -3.294034     -5.974214      2.451828
  C      -4.446350     -6.399479      1.582729
  C      -5.743919     -6.457059      2.396791
  N      -5.785781     -5.289981      3.265484
  Mo     -4.117333     -4.373051      3.822785
  N      -3.328034     -5.726548      5.003345
  C      -2.278184     -6.641525      4.572308
  C      -2.773857     -7.150155      3.222793
  H      -2.175513     -7.469594      5.288110
  H      -1.302324     -6.136540      4.476891
  H      -3.594956     -7.856712      3.393727
  H      -1.985097     -7.651885      2.643186
  H      -6.601947     -6.453848      1.705888
  H      -5.795184     -7.381224      3.001990
  H      -4.560861     -5.667735      0.774599
  H      -4.215986     -7.379074      1.136239
  H      -1.735692     -3.378669      1.051396
  H      -3.106683     -4.064715      0.157400
  H      -1.304519     -5.337602      2.257899
  H      -1.977856     -6.078564      0.775805
  C      -3.988334     -2.191597      2.033124
  C      -3.087209     -1.118570      1.834272
  C      -3.509188      0.201388      1.869335
  C      -4.836928      0.464027      2.176882
  F      -5.234881      1.751407      2.283090
  C      -5.769745     -0.559476      2.363260
  C      -7.141949     -0.315783      2.872870
  O      -8.065460     -1.097903      2.742964
  C      -7.330677      0.952938      3.744408
  O      -8.243594      1.725854      3.573955
  C      -6.259020      1.149814      4.813354
  O      -5.289407      0.395324      4.939212
  Cl     -6.403502      2.600639      5.735130
  C      -5.347319     -1.884509      2.198315
  C      -6.978804     -4.844384      3.887317
  C      -8.260923     -5.438152      3.937067
  C      -9.273919     -4.854726      4.702667
  C      -9.055011     -3.704035      5.460425
  F     -10.058317     -3.228943      6.224318
  C      -7.797323     -3.080399      5.471960
  C      -7.544888     -1.774020      6.261925
  O      -8.259806     -0.775832      6.253023
  C      -5.864192     -1.705539      7.052934
  O      -4.565095     -3.039429      6.776650
  C      -5.352449     -0.370259      7.791185
  O      -6.097581      0.433536      8.245804
  Cl     -3.559579     -0.314969      8.039593
  C      -6.831973     -3.683616      4.645041
  C      -3.691147     -5.601236      6.357468
  C      -2.695203     -5.408665      7.347533
  C      -3.018966     -5.162922      8.671392
  C      -4.360955     -5.080457      9.025294
  F      -4.670399     -4.782944     10.305034
  C      -5.383221     -5.311851      8.100953
  C      -6.811880     -5.181881      8.455438
  O      -7.721678     -5.450730      7.683641
  C      -7.272668     -4.619332      9.826764
  O      -7.682520     -5.352178     10.692473
  C      -7.305252     -3.062286     10.003449
  O      -6.502173     -2.288594      9.559726
  Cl     -8.701695     -2.550866     10.942735
  C      -5.031758     -5.618866      6.765059
  H      -2.035410     -1.324031      1.631935
  H      -2.818684      1.026357      1.694879
  H      -6.111312     -2.662806      2.168123
  H      -8.486967     -6.354226      3.385363
  H     -10.263768     -5.310299      4.740220
  H      -5.684708     -3.265408      4.490023
  H      -1.643364     -5.448021      7.059549
  H      -2.249810     -5.004086      9.427015
  H      -5.834564     -5.877794      6.075118
  N      -4.586172     -2.908611      5.104146
  N      -5.125700     -1.759295      5.931064
  H      -4.596056     -1.929848      7.437136
  H      -6.493263     -1.751412      5.938917
  H      -4.757240     -0.798964      5.480933
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.410583563213
  N      -3.565982     -3.511354      2.129915
  C      -2.616708     -4.022983      1.152089
  C      -2.197705     -5.402318      1.626336
  N      -3.295808     -5.968669      2.454805
  C      -4.450444     -6.391076      1.586982
  C      -5.748192     -6.447091      2.399857
  N      -5.795144     -5.280387      3.269432
  Mo     -4.119685     -4.367246      3.826729
  N      -3.330719     -5.723571      5.013033
  C      -2.281192     -6.636654      4.576389
  C      -2.776474     -7.144231      3.227136
  H      -2.177994     -7.466467      5.290367
  H      -1.304863     -6.131976      4.482283
  H      -3.598627     -7.849997      3.396805
  H      -1.988192     -7.646396      2.646864
  H      -6.604739     -6.443722      1.706824
  H      -5.801020     -7.372557      3.003185
  H      -4.562253     -5.657421      0.780077
  H      -4.221807     -7.370655      1.139161
  H      -1.733608     -3.372635      1.057749
  H      -3.103827     -4.057680      0.161769
  H      -1.306577     -5.333294      2.264670
  H      -1.977523     -6.072667      0.780995
  C      -3.986436     -2.179751      2.028598
  C      -3.082937     -1.109297      1.827686
  C      -3.504669      0.211554      1.854719
  C      -4.833747      0.474808      2.155646
  F      -5.234426      1.762746      2.255314
  C      -5.767593     -0.546980      2.345832
  C      -7.138627     -0.299225      2.853612
  O      -8.066224     -1.077211      2.728995
  C      -7.324495      0.972799      3.722556
  O      -8.234325      1.747161      3.556018
  C      -6.245074      1.167630      4.793269
  O      -5.284619      0.408931      4.914464
  Cl     -6.387926      2.616516      5.719224
  C      -5.345539     -1.872721      2.190117
  C      -6.993083     -4.841374      3.885085
  C      -8.269610     -5.445686      3.931171
  C      -9.290011     -4.868350      4.693457
  C      -9.079564     -3.715815      5.450304
  F     -10.085598     -3.243982      6.211344
  C      -7.821605     -3.088642      5.462252
  C      -7.569481     -1.789696      6.246526
  O      -8.284277     -0.794866      6.237275
  C      -5.868092     -1.715570      7.058623
  O      -4.532733     -3.078252      6.792675
  C      -5.354623     -0.372222      7.784642
  O      -6.101572      0.430536      8.238052
  Cl     -3.558515     -0.316385      8.033706
  C      -6.855285     -3.680073      4.645323
  C      -3.689590     -5.606546      6.369362
  C      -2.690398     -5.417603      7.357145
  C      -3.009604     -5.176945      8.683060
  C      -4.351150     -5.093977      9.040155
  F      -4.657515     -4.798438     10.321193
  C      -5.376158     -5.320293      8.117577
  C      -6.802319     -5.183824      8.473655
  O      -7.716472     -5.450235      7.705163
  C      -7.262697     -4.622983      9.844497
  O      -7.672688     -5.360328     10.706695
  C      -7.299845     -3.066800     10.028027
  O      -6.497085     -2.290028      9.591000
  Cl     -8.698217     -2.564828     10.974879
  C      -5.028270     -5.624650      6.780893
  H      -2.030731     -1.317287      1.629879
  H      -2.813341      1.035619      1.678734
  H      -6.108096     -2.652818      2.166964
  H      -8.487513     -6.363534      3.379103
  H     -10.276863     -5.330830      4.728623
  H      -5.710069     -3.269489      4.490720
  H      -1.639523     -5.455577      7.064887
  H      -2.238043     -5.021132      9.436979
  H      -5.833139     -5.876692      6.090414
  N      -4.567332     -2.916565      5.104818
  N      -5.112829     -1.774505      5.915096
  H      -4.567660     -1.952148      7.454668
  H      -6.498790     -1.766390      5.912264
  H      -4.752260     -0.824704      5.471710
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.447368583353
  N      -3.569266     -3.497129      2.134353
  C      -2.618304     -4.012654      1.159680
  C      -2.199158     -5.392443      1.633371
  N      -3.297394     -5.960588      2.459973
  C      -4.453316     -6.381276      1.593685
  C      -5.751157     -6.435720      2.406000
  N      -5.805198     -5.269161      3.275642
  Mo     -4.123745     -4.359034      3.832171
  N      -3.333836     -5.717138      5.025995
  C      -2.283643     -6.628221      4.583934
  C      -2.777739     -7.135430      3.234644
  H      -2.179293     -7.459447      5.296289
  H      -1.307378     -6.123024      4.491438
  H      -3.600254     -7.841105      3.403186
  H      -1.989374     -7.637480      2.654036
  H      -6.606277     -6.432852      1.711095
  H      -5.804868     -7.361847      3.008242
  H      -4.563399     -5.646427      0.787504
  H      -4.225748     -7.360840      1.145065
  H      -1.735773     -3.361519      1.066325
  H      -3.103678     -4.048100      0.168369
  H      -1.309034     -5.323908      2.273573
  H      -1.976783     -6.062653      0.788443
  C      -3.987615     -2.164513      2.021975
  C      -3.083067     -1.096605      1.817763
  C      -3.504208      0.225683      1.834837
  C      -4.833248      0.489568      2.128498
  F      -5.236755      1.778441      2.220418
  C      -5.767506     -0.531586      2.323410
  C      -7.136382     -0.279954      2.830614
  O      -8.069348     -1.052592      2.712425
  C      -7.313827      0.994379      3.698653
  O      -8.218321      1.773322      3.539102
  C      -6.223688      1.181681      4.769923
  O      -5.274532      0.415520      4.885567
  Cl     -6.359806      2.628682      5.701068
  C      -5.346232     -1.857931      2.178335
  C      -7.008817     -4.837947      3.883879
  C      -8.279249     -5.452539      3.926240
  C      -9.307912     -4.880864      4.684658
  C      -9.106611     -3.727113      5.440191
  F     -10.115301     -3.258223      6.198372
  C      -7.848274     -3.096230      5.453052
  C      -7.590049     -1.806832      6.229285
  O      -8.303564     -0.813752      6.222625
  C      -5.867442     -1.732813      7.058755
  O      -4.501329     -3.125589      6.804957
  C      -5.349733     -0.385859      7.772251
  O      -6.096773      0.416987      8.226072
  Cl     -3.550641     -0.333310      8.021895
  C      -6.878996     -3.676986      4.644556
  C      -3.687783     -5.608906      6.384600
  C      -2.686486     -5.423581      7.371495
  C      -3.002627     -5.189343      8.699215
  C      -4.344080     -5.107814      9.058066
  F      -4.648745     -4.815793     10.340076
  C      -5.370877     -5.329411      8.136239
  C      -6.794907     -5.187990      8.492874
  O      -7.712647     -5.451143      7.726378
  C      -7.254877     -4.630471      9.864132
  O      -7.665570     -5.372703     10.722237
  C      -7.294814     -3.075402     10.055482
  O      -6.491312     -2.296028      9.625747
  Cl     -8.695101     -2.581573     11.008700
  C      -5.025008     -5.629068      6.798948
  H      -2.030311     -1.307029      1.625237
  H      -2.811940      1.048518      1.656595
  H      -6.107507     -2.639638      2.163407
  H      -8.488602     -6.372467      3.374434
  H     -10.291486     -5.350615      4.717187
  H      -5.739483     -3.275696      4.490115
  H      -1.636242     -5.459036      7.076193
  H      -2.229748     -5.036306      9.452444
  H      -5.831132     -5.874579      6.107146
  N      -4.551931     -2.928394      5.099836
  N      -5.098166     -1.797450      5.893675
  H      -4.535650     -1.986118      7.464286
  H      -6.502913     -1.785584      5.884091
  H      -4.744181     -0.859409      5.456878
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.481605853945
  N      -3.572161     -3.481242      2.139948
  C      -2.619963     -4.000557      1.167842
  C      -2.202173     -5.381242      1.640984
  N      -3.300374     -5.951570      2.466221
  C      -4.457495     -6.370724      1.601926
  C      -5.754345     -6.422718      2.414550
  N      -5.814623     -5.256332      3.284609
  Mo     -4.127286     -4.349333      3.839523
  N      -3.337333     -5.708345      5.040795
  C      -2.286608     -6.617596      4.592623
  C      -2.780105     -7.124996      3.243167
  H      -2.180873     -7.450359      5.303099
  H      -1.310758     -6.111657      4.501789
  H      -3.602798     -7.830681      3.411162
  H      -1.991750     -7.627029      2.662427
  H      -6.608492     -6.420422      1.718280
  H      -5.808863     -7.348931      3.016474
  H      -4.566434     -5.634964      0.796358
  H      -4.231849     -7.350405      1.152442
  H      -1.737231     -3.349482      1.074939
  H      -3.103859     -4.036448      0.175795
  H      -1.312739     -5.313292      2.282684
  H      -1.978206     -6.051463      0.796495
  C      -3.988006     -2.147778      2.016444
  C      -3.083118     -1.082106      1.807693
  C      -3.504254      0.240956      1.814256
  C      -4.833801      0.504645      2.101327
  F      -5.240035      1.793412      2.184787
  C      -5.768196     -0.516141      2.302163
  C      -7.135747     -0.262411      2.809411
  O      -8.071777     -1.032376      2.697634
  C      -7.306919      1.013812      3.676350
  O      -8.208525      1.796050      3.524545
  C      -6.205133      1.193461      4.745341
  O      -5.264825      0.420567      4.853249
  Cl     -6.335061      2.638397      5.683160
  C      -5.346348     -1.842317      2.168465
  C      -7.023351     -4.833504      3.885490
  C      -8.287852     -5.458719      3.924571
  C      -9.324160     -4.892904      4.678853
  C      -9.131591     -3.737376      5.432349
  F     -10.141997     -3.271242      6.187487
  C      -7.873449     -3.101818      5.446230
  C      -7.605813     -1.821526      6.212378
  O      -8.316881     -0.829244      6.208515
  C      -5.861958     -1.750580      7.055842
  O      -4.467762     -3.174505      6.818160
  C      -5.339758     -0.403718      7.754653
  O      -6.085774      0.400883      8.210374
  Cl     -3.537251     -0.356615      8.002908
  C      -6.900637     -3.672909      4.645475
  C      -3.685393     -5.611073      6.401595
  C      -2.682480     -5.430376      7.387672
  C      -2.996878     -5.203078      8.716897
  C      -4.338447     -5.122897      9.076433
  F      -4.642511     -4.834961     10.359162
  C      -5.366600     -5.340171      8.154348
  C      -6.789393     -5.194696      8.509117
  O      -7.708935     -5.455077      7.742954
  C      -7.250460     -4.639718      9.879729
  O      -7.662523     -5.385009     10.734801
  C      -7.292553     -3.085663     10.074098
  O      -6.487482     -2.306295      9.649096
  Cl     -8.694761     -2.595505     11.030575
  C      -5.021489     -5.634255      6.817522
  H      -2.029760     -1.294223      1.620128
  H      -2.811654      1.062876      1.633109
  H      -6.105610     -2.626070      2.162652
  H      -8.488702     -6.380600      3.373164
  H     -10.304340     -5.369864      4.708983
  H      -5.770015     -3.281343      4.491738
  H      -1.632705     -5.462953      7.090047
  H      -2.223427     -5.053106      9.470137
  H      -5.828268     -5.872950      6.123711
  N      -4.539019     -2.940027      5.095137
  N      -5.081694     -1.822132      5.869707
  H      -4.499543     -2.023474      7.469136
  H      -6.503233     -1.804448      5.856422
  H      -4.733789     -0.895517      5.437786
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.513226846645
  N      -3.574228     -3.465012      2.147251
  C      -2.620720     -3.988626      1.177662
  C      -2.204790     -5.370446      1.650159
  N      -3.303221     -5.943053      2.473512
  C      -4.461334     -6.360383      1.611001
  C      -5.757295     -6.409852      2.423608
  N      -5.823082     -5.243226      3.293905
  Mo     -4.130155     -4.339412      3.847873
  N      -3.341239     -5.699746      5.055751
  C      -2.290281     -6.607474      4.601477
  C      -2.783055     -7.114902      3.252111
  H      -2.183604     -7.442091      5.309714
  H      -1.314596     -6.101125      4.512707
  H      -3.606218     -7.820301      3.419358
  H      -1.994687     -7.617375      2.671690
  H      -6.610328     -6.408103      1.725812
  H      -5.813231     -7.336096      3.025357
  H      -4.568833     -5.623615      0.806045
  H      -4.238026     -7.340182      1.160499
  H      -1.737318     -3.338308      1.085315
  H      -3.102881     -4.024765      0.184712
  H      -1.316264     -5.303360      2.293478
  H      -1.979112     -6.040468      0.805936
  C      -3.987775     -2.131020      2.012944
  C      -3.083008     -1.067127      1.799416
  C      -3.505574      0.256014      1.794897
  C      -4.836551      0.519251      2.075053
  F      -5.246165      1.807413      2.149576
  C      -5.770525     -0.501083      2.282227
  C      -7.137478     -0.245930      2.789376
  O      -8.074768     -1.015167      2.683693
  C      -7.305368      1.032461      3.654637
  O      -8.205806      1.816169      3.509881
  C      -6.193285      1.206926      4.721227
  O      -5.259889      0.428841      4.821607
  Cl     -6.319534      2.650016      5.665109
  C      -5.346665     -1.827065      2.160648
  C      -7.036690     -4.828826      3.886507
  C      -8.295195     -5.464508      3.921548
  C      -9.338682     -4.903976      4.671386
  C      -9.155198     -3.746123      5.423112
  F     -10.167857     -3.282168      6.174254
  C      -7.898564     -3.105052      5.439093
  C      -7.619676     -1.831714      6.193814
  O      -8.327277     -0.838687      6.192670
  C      -5.855938     -1.765285      7.050441
  O      -4.434689     -3.218759      6.834957
  C      -5.330922     -0.419861      7.734157
  O      -6.074824      0.386797      8.191978
  Cl     -3.525210     -0.377729      7.981834
  C      -6.920518     -3.667798      4.645754
  C      -3.682556     -5.615840      6.418859
  C      -2.678274     -5.442611      7.404616
  C      -2.991488     -5.224688      8.735591
  C      -4.333078     -5.144672      9.095782
  F      -4.636552     -4.862223     10.379611
  C      -5.362594     -5.354837      8.172802
  C      -6.784192     -5.202864      8.524824
  O      -7.705317     -5.457977      7.758228
  C      -7.244133     -4.648932      9.894655
  O      -7.658922     -5.393970     10.748732
  C      -7.282571     -3.095386     10.086675
  O      -6.473235     -2.320958      9.661971
  Cl     -8.683145     -2.599336     11.045599
  C      -5.018048     -5.641863      6.835823
  H      -2.028905     -1.279953      1.616958
  H      -2.813257      1.077402      1.610597
  H      -6.103301     -2.613337      2.164348
  H      -8.487444     -6.388330      3.370811
  H     -10.315522     -5.387825      4.698896
  H      -5.802123     -3.285238      4.494580
  H      -1.628921     -5.472661      7.105191
  H      -2.217629     -5.080011      9.489353
  H      -5.825392     -5.871400      6.139296
  N      -4.527329     -2.947686      5.093474
  N      -5.065772     -1.844184      5.845944
  H      -4.463996     -2.059656      7.471708
  H      -6.502707     -1.819780      5.828218
  H      -4.723431     -0.927269      5.418232
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.542434463327
  N      -3.575529     -3.449218      2.155614
  C      -2.620901     -3.977467      1.188407
  C      -2.207111     -5.360608      1.659947
  N      -3.305837     -5.935594      2.481073
  C      -4.464883     -6.350823      1.620290
  C      -5.759992     -6.397658      2.432928
  N      -5.830548     -5.230520      3.303309
  Mo     -4.132172     -4.329885      3.856575
  N      -3.344876     -5.691862      5.070264
  C      -2.294053     -6.598559      4.609926
  C      -2.786175     -7.105865      3.260883
  H      -2.186700     -7.435173      5.315768
  H      -1.318325     -6.092137      4.523361
  H      -3.610015     -7.810747      3.427354
  H      -1.997826     -7.609233      2.681103
  H      -6.611974     -6.396391      1.733718
  H      -5.817700     -7.323839      3.034630
  H      -4.570882     -5.613014      0.815953
  H      -4.244362     -7.330770      1.168628
  H      -1.736512     -3.328368      1.096683
  H      -3.101306     -4.013530      0.194539
  H      -1.319526     -5.294656      2.304863
  H      -1.979677     -6.030060      0.815688
  C      -3.986754     -2.114741      2.010555
  C      -3.082197     -1.052435      1.792063
  C      -3.506767      0.270397      1.775972
  C      -4.839478      0.533626      2.048721
  F      -5.252148      1.821238      2.113561
  C      -5.772997     -0.485863      2.262426
  C      -7.140001     -0.229308      2.768959
  O      -8.077283     -0.999174      2.668317
  C      -7.307898      1.051141      3.632599
  O      -8.208709      1.834452      3.493501
  C      -6.188590      1.222631      4.698437
  O      -5.260466      0.440900      4.792518
  Cl     -6.314948      2.663234      5.648608
  C      -5.346556     -1.811937      2.153684
  C      -7.048882     -4.824374      3.887290
  C      -8.301532     -5.470073      3.918055
  C      -9.351741     -4.914196      4.663285
  C      -9.177711     -3.753684      5.413257
  F     -10.193325     -3.291696      6.159779
  C      -7.923752     -3.106444      5.432047
  C      -7.633037     -1.837327      6.175179
  O      -8.336180     -0.842730      6.177332
  C      -5.850242     -1.776773      7.044040
  O      -4.402697     -3.257310      6.855618
  C      -5.323947     -0.433619      7.712954
  O      -6.064778      0.375088      8.173276
  Cl     -3.515223     -0.395481      7.960789
  C      -6.939034     -3.662310      4.645483
  C      -3.678714     -5.622966      6.435816
  C      -2.673288     -5.459505      7.421744
  C      -2.985757     -5.252648      8.754609
  C      -4.327253     -5.171615      9.115421
  F      -4.629995     -4.895657     10.400647
  C      -5.358124     -5.372406      8.191167
  C      -6.778666     -5.211839      8.539852
  O      -7.701013     -5.459527      7.771896
  C      -7.236514     -4.658149      9.909073
  O      -7.655535     -5.400781     10.763148
  C      -7.267350     -3.104723     10.095970
  O      -6.451821     -2.338026      9.669432
  Cl     -8.664359     -2.596783     11.055918
  C      -5.014022     -5.651457      6.853360
  H      -2.027283     -1.265537      1.614931
  H      -2.814829      1.091279      1.588383
  H      -6.100446     -2.600696      2.167089
  H      -8.485311     -6.395827      3.368297
  H     -10.325350     -5.404574      4.688208
  H      -5.835594     -3.287803      4.498151
  H      -1.624273     -5.487464      7.121032
  H      -2.211589     -5.115055      9.509273
  H      -5.821849     -5.869977      6.153659
  N      -4.517303     -2.951563      5.094222
  N      -5.051471     -1.862872      5.823563
  H      -4.429382     -2.094586      7.473134
  H      -6.502915     -1.831122      5.800890
  H      -4.714206     -0.953375      5.399401
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.569249840099
  N      -3.575911     -3.434295      2.164774
  C      -2.620542     -3.967352      1.199689
  C      -2.209242     -5.352034      1.669883
  N      -3.308297     -5.929471      2.488548
  C      -4.468320     -6.342261      1.629565
  C      -5.762473     -6.386326      2.442566
  N      -5.837003     -5.218444      3.312865
  Mo     -4.133159     -4.321070      3.865405
  N      -3.347844     -5.685047      5.084041
  C      -2.297606     -6.591258      4.617610
  C      -2.789422     -7.098285      3.269137
  H      -2.189724     -7.429938      5.320973
  H      -1.321642     -6.085129      4.533166
  H      -3.614135     -7.802401      3.434937
  H      -2.001241     -7.603003      2.690161
  H      -6.613595     -6.385454      1.742195
  H      -5.822154     -7.312346      3.044353
  H      -4.572899     -5.603390      0.825871
  H      -4.251112     -7.322390      1.176563
  H      -1.734835     -3.319931      1.108600
  H      -3.099296     -4.002887      0.204948
  H      -1.322550     -5.287561      2.316313
  H      -1.980096     -6.020499      0.825236
  C      -3.984766     -2.099263      2.009126
  C      -3.080297     -1.038499      1.785673
  C      -3.506980      0.283804      1.757781
  C      -4.841495      0.547637      2.022596
  F      -5.256575      1.834888      2.077239
  C      -5.774769     -0.470559      2.242688
  C      -7.142411     -0.212273      2.747695
  O      -8.078829     -0.983684      2.650818
  C      -7.313692      1.070210      3.609539
  O      -8.216308      1.851251      3.473898
  C      -6.191070      1.241021      4.677052
  O      -5.266822      0.457034      4.766750
  Cl     -6.321745      2.678373      5.633668
  C      -5.345575     -1.797009      2.147381
  C      -7.060064     -4.820213      3.888179
  C      -8.307159     -5.475455      3.914714
  C      -9.363646     -4.923744      4.655185
  C      -9.199356     -3.760319      5.403193
  F     -10.218659     -3.300261      6.144550
  C      -7.949080     -3.106341      5.425088
  C      -7.647193     -1.838526      6.156940
  O      -8.345189     -0.842166      6.163230
  C      -5.845494     -1.784881      7.037362
  O      -4.372265     -3.288629      6.879912
  C      -5.319600     -0.444319      7.692317
  O      -6.056825      0.366343      8.155712
  Cl     -3.507989     -0.408481      7.940889
  C      -6.956734     -3.656679      4.644834
  C      -3.673606     -5.632410      6.452126
  C      -2.667172     -5.480770      7.438521
  C      -2.979223     -5.286302      8.773379
  C      -4.320497     -5.203069      9.134768
  F      -4.622408     -4.934389     10.421603
  C      -5.352673     -5.392474      8.208957
  C      -6.772236     -5.221345      8.553856
  O      -7.695431     -5.459690      7.783688
  C      -7.227571     -4.667159      9.922594
  O      -7.652213     -5.405757     10.777246
  C      -7.247784     -3.113638     10.102827
  O      -6.424679     -2.356654      9.673334
  Cl     -8.639832     -2.589625     11.062458
  C      -5.008957     -5.662855      6.869852
  H      -2.024532     -1.251711      1.614128
  H      -2.815271      1.104077      1.566981
  H      -6.096839     -2.587996      2.170560
  H      -8.482658     -6.403205      3.366283
  H     -10.334138     -5.420327      4.677718
  H      -5.869788     -3.289197      4.502201
  H      -1.618411     -5.507140      7.136930
  H      -2.204807     -5.157386      9.529219
  H      -5.817216     -5.868679      6.166697
  N      -4.508946     -2.951984      5.096810
  N      -5.039443     -1.877524      5.803189
  H      -4.396008     -2.127999      7.473893
  H      -6.505047     -1.838192      5.774906
  H      -4.706896     -0.973091      5.381968
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.593701543757
  N      -3.575143     -3.420452      2.174624
  C      -2.619557     -3.958416      1.211301
  C      -2.211239     -5.344887      1.679708
  N      -3.310710     -5.924779      2.495716
  C      -4.471901     -6.334632      1.638712
  C      -5.764873     -6.375804      2.452628
  N      -5.842540     -5.206988      3.322709
  Mo     -4.132974     -4.313114      3.874281
  N      -3.349860     -5.679503      5.096899
  C      -2.300770     -6.585800      4.624244
  C      -2.792882     -7.092364      3.276633
  H      -2.192422     -7.426570      5.325094
  H      -1.324355     -6.080399      4.541637
  H      -3.618704     -7.795395      3.441962
  H      -2.005157     -7.598921      2.698475
  H      -6.615420     -6.375213      1.751446
  H      -5.826621     -7.301618      3.054570
  H      -4.575192     -5.594622      0.835747
  H      -4.258634     -7.314959      1.184104
  H      -1.732147     -3.313201      1.120825
  H      -3.096839     -3.992842      0.215754
  H      -1.325373     -5.282382      2.327569
  H      -1.980505     -6.011941      0.834293
  C      -3.981560     -2.084729      2.008654
  C      -3.076800     -1.025669      1.780429
  C      -3.505336      0.296020      1.740607
  C      -4.841650      0.561184      1.996810
  F      -5.258324      1.848297      2.040770
  C      -5.775132     -0.455203      2.222913
  C      -7.143979     -0.194495      2.725010
  O      -8.079056     -0.967919      2.630459
  C      -7.321999      1.090177      3.584493
  O      -8.227685      1.867157      3.449371
  C      -6.200602      1.262549      4.656738
  O      -5.279143      0.477412      4.744580
  Cl     -6.340053      2.695829      5.619806
  C      -5.343326     -1.782267      2.141678
  C      -7.070524     -4.816284      3.889498
  C      -8.312395     -5.480688      3.912029
  C      -9.374644     -4.932747      4.647764
  C      -9.220134     -3.766191      5.393563
  F     -10.243717     -3.308144      6.129407
  C      -7.974302     -3.105045      5.418411
  C      -7.662387     -1.835817      6.139337
  O      -8.354948     -0.837877      6.150769
  C      -5.842467     -1.789768      7.030405
  O      -4.344033     -3.311424      6.907528
  C      -5.319080     -0.451879      7.672594
  O      -6.052605      0.360375      8.139662
  Cl     -3.504927     -0.416304      7.922288
  C      -6.974236     -3.651012      4.644090
  C      -3.667102     -5.644059      6.467573
  C      -2.659681     -5.506060      7.454414
  C      -2.971499     -5.325014      8.791373
  C      -4.312386     -5.238425      9.153391
  F      -4.613355     -4.977683     10.442007
  C      -5.345836     -5.414579      8.225839
  C      -6.764405     -5.231036      8.566717
  O      -7.688134     -5.458320      7.793671
  C      -7.217132     -4.676030      9.935163
  O      -7.648547     -5.409668     10.790481
  C      -7.224648     -3.122421     10.108458
  O      -6.393037     -2.376396      9.675803
  Cl     -8.610720     -2.579957     11.066867
  C      -5.002546     -5.675730      6.885182
  H      -2.020168     -1.239088      1.614845
  H      -2.813504      1.115462      1.546838
  H      -6.092265     -2.575066      2.174702
  H      -8.479856     -6.410549      3.365292
  H     -10.342140     -5.435225      4.668310
  H      -5.904034     -3.289542      4.506594
  H      -1.611114     -5.531390      7.152195
  H      -2.196823     -5.206217      9.548526
  H      -5.811234     -5.867229      6.178440
  N      -4.501987     -2.949520      5.100598
  N      -5.030271     -1.887817      5.785071
  H      -4.364921     -2.159722      7.473842
  H      -6.509444     -1.841101      5.750880
  H      -4.702311     -0.986353      5.366432
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.616196423615
  N      -3.573158     -3.407948      2.185042
  C      -2.618023     -3.950770      1.222970
  C      -2.213203     -5.339254      1.689115
  N      -3.313165     -5.921516      2.502395
  C      -4.475835     -6.327863      1.647628
  C      -5.767310     -6.366114      2.463156
  N      -5.847229     -5.196242      3.332947
  Mo     -4.131538     -4.306188      3.883148
  N      -3.350649     -5.675389      5.108608
  C      -2.303322     -6.582315      4.629576
  C      -2.796560     -7.088203      3.283135
  H      -2.194473     -7.425137      5.327941
  H      -1.326253     -6.078088      4.548314
  H      -3.623702     -7.789822      3.448306
  H      -2.009687     -7.597042      2.705625
  H      -6.617643     -6.365659      1.761603
  H      -5.831075     -7.291724      3.065252
  H      -4.578059     -5.586600      0.845521
  H      -4.267139     -7.308369      1.191099
  H      -1.728529     -3.308295      1.133022
  H      -3.094133     -3.983427      0.226743
  H      -1.328034     -5.279280      2.338256
  H      -1.981124     -6.004483      0.842532
  C      -3.977103     -2.071403      2.009317
  C      -3.071504     -1.014338      1.776745
  C      -3.501318      0.306771      1.725201
  C      -4.839352      0.574006      1.972181
  F      -5.256715      1.861196      2.005209
  C      -5.773660     -0.440066      2.203593
  C      -7.144242     -0.176031      2.700991
  O      -8.077833     -0.951519      2.607241
  C      -7.332016      1.111155      3.557120
  O      -8.241672      1.882562      3.419061
  C      -6.216578      1.287012      4.637319
  O      -5.297213      0.501479      4.726157
  Cl     -6.368887      2.715566      5.606449
  C      -5.339664     -1.767916      2.136827
  C      -7.080346     -4.812595      3.891573
  C      -8.317384     -5.485692      3.910496
  C      -9.384798     -4.941116      4.641721
  C      -9.239890     -3.771274      5.385099
  F     -10.268180     -3.315397      6.115249
  C      -7.998962     -3.102700      5.412437
  C      -7.678508     -1.829757      6.122699
  O      -8.365612     -0.830518      6.140304
  C      -5.841732     -1.791788      7.023180
  O      -4.318226     -3.325378      6.938218
  C      -5.323110     -0.456404      7.653993
  O      -6.053276      0.356933      8.125067
  Cl     -3.507013     -0.418751      7.905024
  C      -6.991735     -3.645413      4.643630
  C      -3.659221     -5.657521      6.481809
  C      -2.650791     -5.534423      7.468767
  C      -2.962503     -5.367251      8.807872
  C      -4.302826     -5.276357      9.170633
  F      -4.602806     -5.023942     10.461119
  C      -5.337501     -5.437990      8.241277
  C      -6.755008     -5.240750      8.578148
  O      -7.679015     -5.455805      7.801840
  C      -7.205258     -4.684732      9.946416
  O      -7.644021     -5.412991     10.802358
  C      -7.199133     -3.131179     10.113076
  O      -6.358794     -2.396673      9.677220
  Cl     -8.578617     -2.569399     11.069696
  C      -4.994669     -5.689615      6.899039
  H      -2.014038     -1.228242      1.617468
  H      -2.808884      1.125099      1.528900
  H      -6.086750     -2.561980      2.179551
  H      -8.477206     -6.417765      3.365809
  H     -10.349449     -5.449124      4.660796
  H      -5.937120     -3.288992      4.511270
  H      -1.602388     -5.559220      7.166075
  H      -2.187537     -5.259571      9.566333
  H      -5.803751     -5.865605      6.188738
  N      -4.496111     -2.945130      5.104868
  N      -5.024343     -1.893830      5.769320
  H      -4.336638     -2.190018      7.473005
  H      -6.516176     -1.840182      5.729519
  H      -4.701040     -0.993710      5.353149
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.637221599144
  N      -3.570097     -3.397077      2.195739
  C      -2.616141     -3.944519      1.234286
  C      -2.215230     -5.335161      1.697766
  N      -3.315713     -5.919591      2.508430
  C      -4.480190     -6.321947      1.656161
  C      -5.769839     -6.357384      2.473986
  N      -5.851136     -5.186392      3.343446
  Mo     -4.128948     -4.300399      3.891852
  N      -3.350080     -5.672634      5.118885
  C      -2.305083     -6.580672      4.633485
  C      -2.800380     -7.085743      3.288503
  H      -2.195617     -7.425394      5.329520
  H      -1.327208     -6.077998      4.552886
  H      -3.628973     -7.785680      3.453946
  H      -2.014802     -7.597201      2.711346
  H      -6.620339     -6.356937      1.772527
  H      -5.835420     -7.282811      3.076215
  H      -4.581653     -5.579349      0.855034
  H      -4.276540     -7.302590      1.197450
  H      -1.724262     -3.305238      1.144695
  H      -3.091496     -3.974788      0.237566
  H      -1.330575     -5.278219      2.347944
  H      -1.982160     -5.998229      0.849657
  C      -3.971619     -2.059631      2.011176
  C      -3.064568     -1.004882      1.774897
  C      -3.494852      0.315781      1.712299
  C      -4.834436      0.585757      1.949751
  F      -5.251540      1.873219      1.972009
  C      -5.770251     -0.425587      2.185483
  C      -7.143000     -0.157316      2.676328
  O      -8.075217     -0.934596      2.581853
  C      -7.342851      1.132700      3.528003
  O      -8.256905      1.897479      3.383558
  C      -6.237778      1.313332      4.619054
  O      -5.320157      0.527824      4.711646
  Cl     -6.406151      2.736711      5.593542
  C      -5.334739     -1.754337      2.133081
  C      -7.089442     -4.809214      3.894444
  C      -8.322129     -5.490366      3.910250
  C      -9.394138     -4.948750      4.637247
  C      -9.258550     -3.775554      5.378004
  F     -10.291843     -3.322038      6.102359
  C      -8.022690     -3.099470      5.407260
  C      -7.695652     -1.821163      6.107126
  O      -8.377394     -0.820858      6.131992
  C      -5.843131     -1.791862      7.015838
  O      -4.294494     -3.331230      6.971134
  C      -5.331226     -0.458489      7.637039
  O      -6.058695      0.355368      8.112206
  Cl     -3.513830     -0.415981      7.889531
  C      -7.009094     -3.640009      4.643580
  C      -3.650274     -5.671859      6.494405
  C      -2.640827     -5.564068      7.480959
  C      -2.952553     -5.410413      8.822142
  C      -4.292144     -5.314571      9.185755
  F      -4.591172     -5.070437     10.478075
  C      -5.327959     -5.461290      8.254652
  C      -6.744338     -5.249914      8.587840
  O      -7.668425     -5.452238      7.808178
  C      -7.192384     -4.693038      9.956098
  O      -7.638441     -5.416178     10.812398
  C      -7.172786     -3.139793     10.117244
  O      -6.324140     -2.416511      9.678491
  Cl     -8.545488     -2.559519     11.072034
  C      -4.985566     -5.703547      6.910995
  H      -2.006356     -1.219667      1.622112
  H      -2.801287      1.132701      1.514067
  H      -6.080581     -2.549016      2.185018
  H      -8.474861     -6.424721      3.367927
  H     -10.356122     -5.461880      4.655332
  H      -5.967608     -3.287705      4.516008
  H      -1.592561     -5.588795      7.177930
  H      -2.177283     -5.314176      9.581791
  H      -5.794936     -5.863614      6.197324
  N      -4.491041     -2.939907      5.108848
  N      -5.021539     -1.896242      5.755858
  H      -4.310619     -2.220098      7.471400
  H      -6.525368     -1.836128      5.710967
  H      -4.703055     -0.996259      5.342236
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.657212868700
  N      -3.566112     -3.387925      2.206449
  C      -2.614030     -3.939656      1.244901
  C      -2.217331     -5.332583      1.705374
  N      -3.318372     -5.918899      2.513672
  C      -4.484997     -6.316893      1.664089
  C      -5.772543     -6.349722      2.484823
  N      -5.854392     -5.177573      3.353977
  Mo     -4.125411     -4.295724      3.900274
  N      -3.348174     -5.671093      5.127559
  C      -2.305985     -6.580696      4.635955
  C      -2.804276     -7.084905      3.292664
  H      -2.195749     -7.427072      5.329921
  H      -1.327199     -6.079887      4.555241
  H      -3.634392     -7.782935      3.458867
  H      -2.020434     -7.599231      2.715500
  H      -6.623576     -6.349180      1.783908
  H      -5.839638     -7.275010      3.087142
  H      -4.586019     -5.572892      0.864060
  H      -4.286698     -7.297610      1.202993
  H      -1.719534     -3.303939      1.155458
  H      -3.089102     -3.966967      0.247913
  H      -1.332981     -5.279100      2.356305
  H      -1.983675     -5.993243      0.855446
  C      -3.965335     -2.049504      2.014181
  C      -3.056186     -0.997401      1.774985
  C      -3.485986      0.323033      1.702286
  C      -4.826910      0.596333      1.930105
  F      -5.242828      1.884249      1.942034
  C      -5.764922     -0.411967      2.168982
  C      -7.140185     -0.138671      2.651433
  O      -8.071312     -0.917249      2.554707
  C      -7.353674      1.154435      3.497555
  O      -8.272062      1.912038      3.343551
  C      -6.262872      1.340391      4.601914
  O      -5.346931      0.555019      4.700883
  Cl     -6.449634      2.758312      5.580878
  C      -5.328737     -1.741681      2.130488
  C      -7.097774     -4.806158      3.898024
  C      -8.326655     -5.494601      3.911221
  C      -9.402742     -4.955561      4.634273
  C      -9.276066     -3.779021      5.372220
  F     -10.314493     -3.327979      6.090741
  C      -8.045147     -3.095548      5.402795
  C      -7.713784     -1.810864      6.092513
  O      -8.390355     -0.809700      6.125608
  C      -5.846547     -1.790839      7.008474
  O      -4.272759     -3.329812      7.005389
  C      -5.343086     -0.458737      7.622155
  O      -6.068854      0.354951      8.101162
  Cl     -3.525117     -0.408150      7.876317
  C      -7.026117     -3.634854      4.643956
  C      -3.640669     -5.686280      6.505153
  C      -2.630131     -5.593528      7.490712
  C      -2.941899     -5.452454      8.833828
  C      -4.280608     -5.351322      9.198440
  F      -4.578690     -5.115097     10.492482
  C      -5.317536     -5.483436      8.265797
  C      -6.732685     -5.258174      8.595975
  O      -7.656801     -5.447822      7.813178
  C      -7.178715     -4.700887      9.964477
  O      -7.631434     -5.419710     10.820758
  C      -7.146627     -3.148249     10.121792
  O      -6.290556     -2.435258      9.680581
  Cl     -8.512554     -2.551534     11.075384
  C      -4.975624     -5.716812      6.920955
  H      -1.997348     -1.213546      1.628787
  H      -2.790749      1.138262      1.502834
  H      -6.074036     -2.536277      2.190929
  H      -8.472951     -6.431270      3.371499
  H     -10.362266     -5.473368      4.651769
  H      -5.994620     -3.285783      4.520650
  H      -1.581994     -5.618584      7.187411
  H      -2.166286     -5.367453      9.594450
  H      -5.785172     -5.861152      6.204242
  N      -4.486651     -2.934592      5.112060
  N      -5.021733     -1.895788      5.744583
  H      -4.286714     -2.250904      7.469130
  H      -6.537008     -1.829691      5.695269
  H      -4.708217     -0.995022      5.333651
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.678897913813
  N      -3.560374     -3.379016      2.215293
  C      -2.608943     -3.936577      1.250936
  C      -2.215596     -5.334511      1.706689
  N      -3.318358     -5.923959      2.514141
  C      -4.489793     -6.318408      1.665997
  C      -5.776986     -6.347152      2.491677
  N      -5.858114     -5.170951      3.363256
  Mo     -4.120819     -4.291636      3.908945
  N      -3.343755     -5.672315      5.136202
  C      -2.303010     -6.586769      4.637774
  C      -2.804692     -7.091112      3.293976
  H      -2.192544     -7.434475      5.330142
  H      -1.323018     -6.088406      4.556618
  H      -3.636477     -7.786967      3.461291
  H      -2.022627     -7.608766      2.717196
  H      -6.628974     -6.345933      1.791827
  H      -5.845844     -7.272171      3.094264
  H      -4.590465     -5.573158      0.866929
  H      -4.297509     -7.299344      1.202629
  H      -1.711700     -3.304643      1.161548
  H      -3.084487     -3.959944      0.254030
  H      -1.331071     -5.284790      2.357734
  H      -1.981842     -5.992063      0.854281
  C      -3.957535     -2.037115      2.015152
  C      -3.045226     -0.988153      1.774238
  C      -3.472833      0.332617      1.692707
  C      -4.814722      0.610621      1.910792
  F      -5.227744      1.899443      1.913346
  C      -5.756293     -0.393866      2.150787
  C      -7.134560     -0.114874      2.622926
  O      -8.065136     -0.893709      2.520836
  C      -7.363074      1.180429      3.464202
  O      -8.284656      1.931446      3.297525
  C      -6.291792      1.369920      4.586224
  O      -5.378357      0.584036      4.695580
  Cl     -6.499701      2.781773      5.569168
  C      -5.321127     -1.724760      2.124938
  C      -7.108034     -4.803499      3.902207
  C      -8.333830     -5.498123      3.913033
  C      -9.413693     -4.961274      4.632355
  C      -9.295908     -3.781586      5.367766
  F     -10.339808     -3.333483      6.080239
  C      -8.069787     -3.090643      5.399899
  C      -7.736851     -1.799077      6.080427
  O      -8.409071     -0.797574      6.121869
  C      -5.856894     -1.787701      7.003805
  O      -4.257897     -3.320046      7.042296
  C      -5.364323     -0.456087      7.612590
  O      -6.090362      0.356154      8.094535
  Cl     -3.546766     -0.393768      7.870000
  C      -7.046224     -3.629015      4.645991
  C      -3.629492     -5.702425      6.517605
  C      -2.617425     -5.623775      7.501444
  C      -2.928508     -5.493853      8.846433
  C      -4.266026     -5.387254      9.212840
  F      -4.562460     -5.157896     10.508518
  C      -5.304504     -5.506009      8.279536
  C      -6.718154     -5.267354      8.608019
  O      -7.642735     -5.445416      7.823087
  C      -7.161419     -4.708250      9.976487
  O      -7.619493     -5.422478     10.833678
  C      -7.118018     -3.156140     10.129265
  O      -6.256047     -2.452744      9.684233
  Cl     -8.476968     -2.544085     11.082220
  C      -4.963905     -5.731644      6.933639
  H      -1.985944     -1.206587      1.635022
  H      -2.774855      1.145516      1.493199
  H      -6.067385     -2.517913      2.192265
  H      -8.474470     -6.436956      3.375859
  H     -10.370957     -5.483339      4.649140
  H      -6.022589     -3.281919      4.526962
  H      -1.569551     -5.649305      7.197446
  H      -2.152120     -5.419221      9.607346
  H      -5.774064     -5.861239      6.214931
  N      -4.486322     -2.927225      5.116920
  N      -5.029028     -1.890997      5.738372
  H      -4.270831     -2.279605      7.469776
  H      -6.554866     -1.820341      5.684691
  H      -4.720629     -0.988567      5.330356
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.695597321428
  N      -3.554456     -3.372019      2.224684
  C      -2.606378     -3.933896      1.258544
  C      -2.218072     -5.334802      1.710523
  N      -3.321171     -5.925915      2.516488
  C      -4.495872     -6.315181      1.671736
  C      -5.780838     -6.342068      2.501458
  N      -5.861349     -5.164555      3.373268
  Mo     -4.115823     -4.288188      3.917085
  N      -3.338389     -5.672775      5.142344
  C      -2.301446     -6.589936      4.637513
  C      -2.808505     -7.093268      3.295373
  H      -2.190040     -7.438479      5.328560
  H      -1.320718     -6.093819      4.554137
  H      -3.642033     -7.786495      3.464797
  H      -2.029136     -7.614125      2.717864
  H      -6.634022     -6.340349      1.803259
  H      -5.850057     -7.266691      3.104177
  H      -4.596505     -5.568140      0.874304
  H      -4.309343     -7.295927      1.205854
  H      -1.706110     -3.306409      1.169044
  H      -3.083077     -3.953080      0.262281
  H      -1.333522     -5.289402      2.361721
  H      -1.984892     -5.989318      0.855704
  C      -3.949699     -2.028944      2.019363
  C      -3.033762     -0.983808      1.777508
  C      -3.458631      0.337415      1.688482
  C      -4.801406      0.619625      1.897206
  F      -5.211682      1.909210      1.891294
  C      -5.746468     -0.381541      2.137353
  C      -7.127816     -0.096645      2.596961
  O      -8.058233     -0.875238      2.489575
  C      -7.370587      1.202348      3.429939
  O      -8.294668      1.946917      3.248419
  C      -6.320007      1.395551      4.569267
  O      -5.409207      0.609077      4.690385
  Cl     -6.548961      2.801688      5.554849
  C      -5.312671     -1.713324      2.123956
  C      -7.116041     -4.801279      3.907193
  C      -8.338897     -5.501572      3.916228
  C      -9.422170     -4.966886      4.632221
  C      -9.312448     -3.784202      5.364609
  F     -10.361238     -3.338669      6.071525
  C      -8.090338     -3.086446      5.396844
  C      -7.757160     -1.788789      6.067401
  O      -8.425247     -0.787091      6.118755
  C      -5.864267     -1.787063      6.996882
  O      -4.240252     -3.309174      7.076207
  C      -5.383515     -0.455363      7.602868
  O      -6.110890      0.354842      8.087093
  Cl     -3.567057     -0.377369      7.861834
  C      -7.063727     -3.624531      4.647461
  C      -3.618944     -5.714858      6.525460
  C      -2.605367     -5.649335      7.506918
  C      -2.916245     -5.528824      8.853443
  C      -4.252740     -5.416713      9.221193
  F      -4.548006     -5.193928     10.518262
  C      -5.292492     -5.522530      8.286988
  C      -6.704828     -5.271908      8.614187
  O      -7.629443     -5.437832      7.826658
  C      -7.146915     -4.715782      9.984203
  O      -7.609401     -5.429716     10.839245
  C      -7.094989     -3.165100     10.139865
  O      -6.228087     -2.467907      9.694954
  Cl     -8.448074     -2.544823     11.094981
  C      -4.952648     -5.740989      6.940429
  H      -1.974162     -1.205027      1.645231
  H      -2.757854      1.148112      1.489635
  H      -6.059763     -2.505138      2.198468
  H      -8.474336     -6.442687      3.381865
  H     -10.377334     -5.492906      4.648891
  H      -6.044099     -3.278944      4.531718
  H      -1.557705     -5.675942      7.202422
  H      -2.139342     -5.464052      9.614761
  H      -5.762793     -5.856126      6.219349
  N      -4.483917     -2.923013      5.117863
  N      -5.034982     -1.887579      5.730835
  H      -4.251443     -2.312922      7.467497
  H      -6.571352     -1.812263      5.674689
  H      -4.731904     -0.983172      5.325695
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.709449181535
  N      -3.548471     -3.366251      2.236373
  C      -2.606653     -3.930821      1.269209
  C      -2.224792     -5.332692      1.717874
  N      -3.327137     -5.923691      2.521745
  C      -4.503439     -6.306472      1.681822
  C      -5.783765     -6.333561      2.515098
  N      -5.863646     -5.157546      3.385027
  Mo     -4.110413     -4.285096      3.925438
  N      -3.332832     -5.672063      5.146435
  C      -2.302067     -6.589765      4.635513
  C      -2.815946     -7.090922      3.297365
  H      -2.188666     -7.439119      5.325238
  H      -1.320554     -6.095978      4.548345
  H      -3.651156     -7.781366      3.469870
  H      -2.040224     -7.615087      2.717759
  H      -6.638676     -6.332145      1.818994
  H      -5.851832     -7.258378      3.117569
  H      -4.604827     -5.557237      0.886483
  H      -4.322493     -7.286802      1.212667
  H      -1.702757     -3.308618      1.178881
  H      -3.085128     -3.945355      0.273744
  H      -1.340001     -5.292374      2.369048
  H      -1.992690     -5.984345      0.860470
  C      -3.941627     -2.024096      2.027527
  C      -3.021878     -0.982873      1.784623
  C      -3.443972      0.338800      1.688067
  C      -4.787690      0.624540      1.887072
  F      -5.195718      1.914693      1.872052
  C      -5.736011     -0.373727      2.127189
  C      -7.120771     -0.083050      2.571734
  O      -8.051129     -0.861293      2.459222
  C      -7.376851      1.221060      3.393158
  O      -8.302327      1.959789      3.195236
  C      -6.347977      1.417476      4.549916
  O      -5.439982      0.630490      4.684331
  Cl     -6.598162      2.818347      5.536898
  C      -5.303648     -1.706076      2.127300
  C      -7.121321     -4.799287      3.913504
  C      -8.341386     -5.505188      3.921186
  C      -9.427971     -4.972719      4.634009
  C      -9.325803     -3.786864      5.362665
  F     -10.378919     -3.343246      6.064108
  C      -8.107057     -3.082692      5.393737
  C      -7.775018     -1.779667      6.052585
  O      -8.439683     -0.778223      6.114679
  C      -5.868474     -1.787123      6.987993
  O      -4.219207     -3.298579      7.107573
  C      -5.400684     -0.454920      7.592162
  O      -6.130780      0.352988      8.077115
  Cl     -3.586108     -0.357795      7.850835
  C      -7.078092     -3.620935      4.648887
  C      -3.609346     -5.725005      6.529255
  C      -2.594261     -5.673171      7.508626
  C      -2.905420     -5.561861      8.856437
  C      -4.241056     -5.444195      9.225038
  F      -4.535573     -5.228811     10.523422
  C      -5.281891     -5.536818      8.289767
  C      -6.692708     -5.275367      8.616282
  O      -7.617337     -5.428338      7.826107
  C      -7.133579     -4.724340      9.988426
  O      -7.598715     -5.440073     10.840580
  C      -7.074658     -3.175692     10.149372
  O      -6.204324     -2.483753      9.703648
  Cl     -8.421361     -2.549836     11.109167
  C      -4.942466     -5.747288      6.942595
  H      -1.962027     -1.206967      1.659611
  H      -2.740608      1.147495      1.490042
  H      -6.051332     -2.496554      2.209607
  H      -8.471812     -6.448774      3.390023
  H     -10.381049     -5.502594      4.650985
  H      -6.059720     -3.276550      4.535721
  H      -1.546745     -5.701193      7.203983
  H      -2.128367     -5.507304      9.618434
  H      -5.752139     -5.847398      6.218871
  N      -4.479566     -2.921286      5.115854
  N      -5.039074     -1.885142      5.721659
  H      -4.228370     -2.346990      7.464473
  H      -6.586231     -1.805303      5.664545
  H      -4.741822     -0.979032      5.319240
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.719823599521
  N      -3.540938     -3.359734      2.250542
  C      -2.607488     -3.927454      1.279919
  C      -2.232301     -5.331035      1.723730
  N      -3.334134     -5.921256      2.526231
  C      -4.512760     -6.296941      1.691146
  C      -5.786853     -6.325040      2.530353
  N      -5.865135     -5.150321      3.398983
  Mo     -4.103894     -4.281326      3.935461
  N      -3.325715     -5.670968      5.150165
  C      -2.302158     -6.590489      4.632116
  C      -2.824356     -7.089514      3.298255
  H      -2.185846     -7.440499      5.320697
  H      -1.319408     -6.099870      4.539447
  H      -3.661484     -7.776584      3.475164
  H      -2.053603     -7.617984      2.715597
  H      -6.644833     -6.325094      1.837764
  H      -5.851868     -7.250643      3.132342
  H      -4.616138     -5.545024      0.898451
  H      -4.338051     -7.276483      1.217405
  H      -1.699140     -3.311798      1.187313
  H      -3.089256     -3.935801      0.285803
  H      -1.346481     -5.296923      2.373962
  H      -2.001996     -5.979388      0.863069
  C      -3.931749     -2.018428      2.037959
  C      -3.007857     -0.981330      1.793258
  C      -3.426816      0.340868      1.688238
  C      -4.771472      0.630171      1.876565
  F      -5.177214      1.920878      1.851156
  C      -5.723329     -0.365036      2.116289
  C      -7.112390     -0.068794      2.541933
  O      -8.042533     -0.846649      2.423253
  C      -7.381633      1.241546      3.348959
  O      -8.306604      1.975642      3.132396
  C      -6.378262      1.439225      4.526636
  O      -5.473645      0.652030      4.677987
  Cl     -6.653372      2.834378      5.514413
  C      -5.292872     -1.697676      2.132068
  C      -7.125493     -4.797860      3.922461
  C      -8.342765     -5.509652      3.929101
  C      -9.432808     -4.979596      4.638743
  C      -9.338549     -3.790026      5.362837
  F     -10.395793     -3.348019      6.058411
  C      -8.123128     -3.078920      5.391936
  C      -7.793951     -1.770939      6.036737
  O      -8.457502     -0.771193      6.109907
  C      -5.872632     -1.784165      6.979515
  O      -4.196727     -3.288482      7.138137
  C      -5.420348     -0.451820      7.582090
  O      -6.155370      0.353145      8.065343
  Cl     -3.608534     -0.330896      7.837229
  C      -7.091876     -3.617161      4.652092
  C      -3.599614     -5.735081      6.532247
  C      -2.583113     -5.699641      7.510257
  C      -2.894721     -5.598497      8.859218
  C      -4.229450     -5.474081      9.228576
  F      -4.523039     -5.267763     10.528485
  C      -5.271331     -5.551285      8.292284
  C      -6.680155     -5.278607      8.618506
  O      -7.604704     -5.416084      7.825211
  C      -7.119701     -4.735480      9.993660
  O      -7.585639     -5.455317     10.842065
  C      -7.055450     -3.189151     10.162124
  O      -6.183699     -2.500722      9.714203
  Cl     -8.394612     -2.561015     11.130499
  C      -4.932472     -5.752070      6.944233
  H      -1.947741     -1.208533      1.676936
  H      -2.720709      1.147449      1.491334
  H      -6.041339     -2.486294      2.223687
  H      -8.468011     -6.456012      3.401751
  H     -10.383569     -5.513643      4.656229
  H      -6.073861     -3.272962      4.541324
  H      -1.535724     -5.729790      7.205682
  H      -2.117754     -5.556043      9.622078
  H      -5.741602     -5.834548      6.217821
  N      -4.476133     -2.918678      5.113780
  N      -5.043964     -1.880741      5.712636
  H      -4.204700     -2.373420      7.465688
  H      -6.602434     -1.797912      5.655413
  H      -4.753667     -0.973154      5.312605
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.728069489930
  N      -3.531380     -3.352042      2.267174
  C      -2.609061     -3.923774      1.290174
  C      -2.240749     -5.329805      1.727711
  N      -3.342166     -5.918475      2.529733
  C      -4.523779     -6.286406      1.699666
  C      -5.789892     -6.317003      2.547441
  N      -5.865615     -5.143184      3.415348
  Mo     -4.096135     -4.276474      3.947330
  N      -3.316601     -5.669250      5.153765
  C      -2.301487     -6.591973      4.627285
  C      -2.833971     -7.088731      3.298027
  H      -2.181393     -7.442244      5.314971
  H      -1.317426     -6.105221      4.527219
  H      -3.673477     -7.771417      3.480790
  H      -2.069856     -7.622561      2.711307
  H      -6.652588     -6.319978      1.860535
  H      -5.849198     -7.243490      3.148976
  H      -4.630439     -5.530975      0.910612
  H      -4.355667     -7.264405      1.219885
  H      -1.695700     -3.315900      1.193491
  H      -3.096290     -3.924388      0.298572
  H      -1.353151     -5.302951      2.375924
  H      -2.013259     -5.974459      0.863299
  C      -3.919786     -2.011440      2.050452
  C      -2.991633     -0.978904      1.802939
  C      -3.407243      0.343770      1.688280
  C      -4.752801      0.636635      1.865121
  F      -5.156275      1.927806      1.828085
  C      -5.708307     -0.355404      2.104291
  C      -7.102566     -0.054044      2.507082
  O      -8.032041     -0.831790      2.381667
  C      -7.384710      1.263782      3.296480
  O      -8.306895      1.994774      3.058982
  C      -6.410403      1.461302      4.498116
  O      -5.509527      0.674725      4.669762
  Cl     -6.714932      2.850258      5.485838
  C      -5.280006     -1.687969      2.138138
  C      -7.128437     -4.797410      3.934759
  C      -8.342608     -5.515553      3.940849
  C      -9.436211     -4.988267      4.647358
  C      -9.350362     -3.794333      5.365822
  F     -10.411534     -3.353889      6.055292
  C      -8.138542     -3.075416      5.391951
  C      -7.813461     -1.762501      6.020222
  O      -8.479382     -0.766494      6.104432
  C      -5.875781     -1.775875      6.971633
  O      -4.172188     -3.280521      7.165618
  C      -5.441368     -0.444332      7.572069
  O      -6.183363      0.357241      8.051398
  Cl     -3.632806     -0.295658      7.818764
  C      -7.105004     -3.613307      4.657449
  C      -3.589875     -5.745114      6.534722
  C      -2.572556     -5.729813      7.512183
  C      -2.884984     -5.640774      8.862160
  C      -4.218746     -5.508400      9.232270
  F      -4.511294     -5.313770     10.534087
  C      -5.261210     -5.566591      8.294848
  C      -6.667572     -5.281885      8.620825
  O      -7.591580     -5.399795      7.823427
  C      -7.106187     -4.750761     10.000209
  O      -7.570987     -5.477646     10.843392
  C      -7.038877     -3.207013     10.179427
  O      -6.168445     -2.519333      9.728138
  Cl     -8.369105     -2.581434     11.161486
  C      -4.922722     -5.754832      6.945465
  H      -1.931188     -1.209375      1.697017
  H      -2.698268      1.148146      1.492693
  H      -6.029259     -2.474307      2.241327
  H      -8.462301     -6.465105      3.418106
  H     -10.384284     -5.527049      4.665742
  H      -6.087175     -3.267637      4.548836
  H      -1.525238     -5.762965      7.207964
  H      -2.108433     -5.613269      9.626131
  H      -5.731091     -5.815996      6.216225
  N      -4.474133     -2.913536      5.112153
  N      -5.048873     -1.873050      5.703308
  H      -4.180030     -2.384959      7.472063
  H      -6.619407     -1.789618      5.647137
  H      -4.766695     -0.964198      5.304677
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.736244035505
  N      -3.521528     -3.344408      2.284525
  C      -2.610648     -3.920101      1.299932
  C      -2.249149     -5.329256      1.730374
  N      -3.350475     -5.916579      2.532413
  C      -4.535593     -6.277166      1.707416
  C      -5.793509     -6.310737      2.564584
  N      -5.866232     -5.137200      3.432228
  Mo     -4.088175     -4.271677      3.959499
  N      -3.306474     -5.667493      5.156504
  C      -2.299737     -6.593907      4.621654
  C      -2.843458     -7.089054      3.297103
  H      -2.175384     -7.443969      5.308830
  H      -1.314669     -6.110827      4.513515
  H      -3.685226     -7.767201      3.486401
  H      -2.086518     -7.628315      2.705955
  H      -6.661499     -6.317118      1.884303
  H      -5.846254     -7.238004      3.165724
  H      -4.645952     -5.518133      0.922203
  H      -4.373837     -7.253345      1.221334
  H      -1.692474     -3.319910      1.198915
  H      -3.103906     -3.912307      0.311301
  H      -1.359548     -5.309818      2.376128
  H      -2.024730     -5.970023      0.862078
  C      -3.907567     -2.003900      2.063551
  C      -2.975122     -0.976042      1.813439
  C      -3.387079      0.347156      1.689149
  C      -4.733365      0.643888      1.854404
  F      -5.134097      1.935514      1.805510
  C      -5.692693     -0.344776      2.092783
  C      -7.092345     -0.038716      2.471922
  O      -8.020672     -0.816629      2.338960
  C      -7.387476      1.286350      3.243462
  O      -8.304929      2.015853      2.984231
  C      -6.443013      1.483363      4.469099
  O      -5.546735      0.697261      4.662185
  Cl     -6.777973      2.866456      5.455641
  C      -5.266910     -1.677262      2.144388
  C      -7.131143     -4.798047      3.948072
  C      -8.342077     -5.522746      3.953970
  C      -9.439198     -4.998461      4.657259
  C      -9.362028     -3.799884      5.369546
  F     -10.427050     -3.361276      6.052733
  C      -8.154156     -3.072524      5.392592
  C      -7.833623     -1.754275      6.003088
  O      -8.503810     -0.762991      6.098648
  C      -5.877499     -1.764696      6.964521
  O      -4.145893     -3.279113      7.190709
  C      -5.462299     -0.435168      7.563295
  O      -6.212355      0.362290      8.038849
  Cl     -3.657305     -0.261219      7.802226
  C      -7.117919     -3.609847      4.663587
  C      -3.579894     -5.754503      6.536483
  C      -2.562505     -5.759987      7.513918
  C      -2.876139     -5.683529      8.864666
  C      -4.208922     -5.543236      9.235650
  F      -4.500321     -5.360854     10.539430
  C      -5.251345     -5.581392      8.297236
  C      -6.655045     -5.284521      8.622580
  O      -7.578076     -5.382314      7.820918
  C      -7.093174     -4.765765     10.005859
  O      -7.557416     -5.499583     10.843499
  C      -7.023000     -3.224503     10.194768
  O      -6.153575     -2.537924      9.740240
  Cl     -8.343486     -2.601316     11.191326
  C      -4.912774     -5.756354      6.946384
  H      -1.914467     -1.209964      1.718164
  H      -2.675075      1.149178      1.494951
  H      -6.017268     -2.460881      2.258755
  H      -8.456123     -6.475607      3.436151
  H     -10.384348     -5.542336      4.676698
  H      -6.100674     -3.261251      4.557515
  H      -1.515181     -5.796433      7.210332
  H      -2.100275     -5.671570      9.629742
  H      -5.720128     -5.795798      6.214618
  N      -4.473599     -2.907051      5.111413
  N      -5.053247     -1.864154      5.694569
  H      -4.153803     -2.385360      7.483922
  H      -6.637466     -1.781112      5.640715
  H      -4.779334     -0.953888      5.296860
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.744982144874
  N      -3.513180     -3.338260      2.300429
  C      -2.611682     -3.917388      1.308323
  C      -2.256067     -5.330064      1.731913
  N      -3.357888     -5.916828      2.534316
  C      -4.546837     -6.271472      1.713784
  C      -5.798123     -6.307587      2.579387
  N      -5.868098     -5.133261      3.447202
  Mo     -4.081163     -4.267984      3.970196
  N      -3.296654     -5.666151      5.157913
  C      -2.296716     -6.596401      4.616243
  C      -2.851376     -7.091311      3.295967
  H      -2.168327     -7.445780      5.303434
  H      -1.311103     -6.116232      4.500715
  H      -3.694948     -7.765431      3.491543
  H      -2.101015     -7.635357      2.700799
  H      -6.670816     -6.317081      1.905207
  H      -5.845159     -7.235369      3.180266
  H      -4.660437     -5.509322      0.931931
  H      -4.390370     -7.245929      1.222198
  H      -1.689749     -3.323356      1.203743
  H      -3.110257     -3.902023      0.322485
  H      -1.364703     -5.316951      2.375360
  H      -2.034367     -5.967428      0.860285
  C      -3.897123     -1.996740      2.075445
  C      -2.960560     -0.973202      1.823935
  C      -3.368552      0.350627      1.691398
  C      -4.715276      0.651719      1.845954
  F      -5.112383      1.943881      1.786505
  C      -5.678608     -0.333330      2.083024
  C      -7.083186     -0.022608      2.440842
  O      -8.010016     -0.800919      2.299955
  C      -7.391028      1.308422      3.196825
  O      -8.302838      2.037584      2.917115
  C      -6.474448      1.505046      4.443902
  O      -5.583752      0.718277      4.657008
  Cl     -6.836509      2.883712      5.428042
  C      -5.255687     -1.666129      2.149536
  C      -7.134309     -4.799326      3.959980
  C      -8.342179     -5.530278      3.965920
  C      -9.442551     -5.008885      4.665731
  C      -9.373888     -3.805658      5.371685
  F     -10.442877     -3.369075      6.048328
  C      -8.170322     -3.069746      5.392490
  C      -7.853918     -1.745171      5.985129
  O      -8.527796     -0.757933      6.092225
  C      -5.876436     -1.752568      6.957595
  O      -4.117335     -3.286722      7.214381
  C      -5.480612     -0.425450      7.556092
  O      -6.238546      0.367551      8.029393
  Cl     -3.678442     -0.232315      7.790091
  C      -7.130304     -3.606625      4.669056
  C      -3.569971     -5.762518      6.537718
  C      -2.553002     -5.786227      7.515275
  C      -2.867757     -5.721014      8.866517
  C      -4.199575     -5.574088      9.238782
  F      -4.489454     -5.402728     10.544364
  C      -5.241660     -5.594370      8.299907
  C      -6.643026     -5.287121      8.624455
  O      -7.564931     -5.368128      7.819237
  C      -7.081323     -4.779141     10.010732
  O      -7.545332     -5.518552     10.843678
  C      -7.009256     -3.239721     10.206086
  O      -6.140515     -2.554662      9.748143
  Cl     -8.321544     -2.617503     11.213844
  C      -4.902800     -5.757507      6.947603
  H      -1.899892     -1.210650      1.738157
  H      -2.653350      1.150180      1.498734
  H      -6.007720     -2.446746      2.272520
  H      -8.450912     -6.486214      3.452790
  H     -10.384807     -5.557775      4.686093
  H      -6.114700     -3.254064      4.566340
  H      -1.505638     -5.825683      7.212324
  H      -2.092509     -5.722783      9.632337
  H      -5.709248     -5.778377      6.214143
  N      -4.473754     -2.899842      5.111648
  N      -5.055985     -1.855538      5.687127
  H      -4.124578     -2.378621      7.500690
  H      -6.656777     -1.772307      5.637541
  H      -4.789434     -0.943471      5.290096
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.753382124792
  N      -3.506410     -3.333874      2.313681
  C      -2.612531     -3.916539      1.314423
  C      -2.260933     -5.332296      1.732728
  N      -3.363405     -5.918621      2.536003
  C      -4.555834     -6.269170      1.718756
  C      -5.802613     -6.307639      2.590897
  N      -5.870962     -5.131392      3.458771
  Mo     -4.075699     -4.265190      3.978691
  N      -3.288024     -5.664925      5.158696
  C      -2.292856     -6.599097      4.612296
  C      -2.857205     -7.094712      3.295661
  H      -2.161307     -7.447392      5.300080
  H      -1.307164     -6.120971      4.490599
  H      -3.702371     -7.765126      3.496802
  H      -2.112468     -7.642890      2.697244
  H      -6.679000     -6.320287      1.921728
  H      -5.844690     -7.235335      3.192141
  H      -4.672090     -5.504221      0.939939
  H      -4.402606     -7.241923      1.222680
  H      -1.688376     -3.326623      1.206440
  H      -3.116184     -3.895835      0.331392
  H      -1.368136     -5.323600      2.374150
  H      -2.041867     -5.967620      0.858954
  C      -3.889122     -1.990476      2.085286
  C      -2.949040     -0.970500      1.833517
  C      -3.353459      0.353764      1.694502
  C      -4.700472      0.659041      1.840141
  F      -5.093670      1.951670      1.772240
  C      -5.667458     -0.322644      2.075532
  C      -7.076221     -0.007549      2.415579
  O      -8.001050     -0.786938      2.267428
  C      -7.396344      1.327854      3.159122
  O      -8.302068      2.057163      2.860065
  C      -6.504251      1.525429      4.423508
  O      -5.618848      0.737505      4.653124
  Cl     -6.888204      2.901507      5.403897
  C      -5.247108     -1.656043      2.153109
  C      -7.137610     -4.800232      3.969466
  C      -8.342692     -5.536646      3.975630
  C      -9.446153     -5.017427      4.671127
  C      -9.385547     -3.809396      5.370345
  F     -10.459002     -3.374739      6.040264
  C      -8.186784     -3.065616      5.390298
  C      -7.873359     -1.732992      5.966547
  O      -8.548597     -0.748226      6.085146
  C      -5.871045     -1.739737      6.948986
  O      -4.085633     -3.296950      7.236014
  C      -5.493776     -0.413892      7.548602
  O      -6.257829      0.374525      8.022122
  Cl     -3.691974     -0.208013      7.779641
  C      -7.141268     -3.602599      4.672672
  C      -3.561511     -5.768987      6.539079
  C      -2.545134     -5.807871      7.516536
  C      -2.860415     -5.752667      8.868073
  C      -4.191403     -5.601274      9.242089
  F      -4.479505     -5.440065     10.549285
  C      -5.233219     -5.606441      8.303171
  C      -6.632913     -5.291733      8.627423
  O      -7.553773     -5.359351      7.819630
  C      -7.071434     -4.793209     10.016477
  O      -7.533827     -5.537287     10.846122
  C      -6.999988     -3.254647     10.215729
  O      -6.132948     -2.569711      9.754079
  Cl     -8.304019     -2.634684     11.235027
  C      -4.894189     -5.758610      6.949461
  H      -1.888397     -1.210911      1.755766
  H      -2.635312      1.151095      1.503424
  H      -6.001028     -2.433938      2.282028
  H      -8.446449     -6.495438      3.466941
  H     -10.385783     -5.570875      4.692191
  H      -6.128673     -3.245369      4.573954
  H      -1.497757     -5.849730      7.213924
  H      -2.085441     -5.765956      9.634104
  H      -5.700233     -5.764668      6.215300
  N      -4.473346     -2.890080      5.112384
  N      -5.056030     -1.846050      5.680412
  H      -4.091049     -2.368535      7.517286
  H      -6.677392     -1.761391      5.638067
  H      -4.795483     -0.932183      5.283476
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.762034171324
  N      -3.500160     -3.330219      2.325893
  C      -2.614037     -3.916277      1.319707
  C      -2.265464     -5.334316      1.733755
  N      -3.368054     -5.919830      2.538427
  C      -4.563535     -6.267278      1.724231
  C      -5.806452     -6.308146      2.601944
  N      -5.873852     -5.129875      3.469191
  Mo     -4.070857     -4.262255      3.986687
  N      -3.280100     -5.663630      5.159812
  C      -2.289021     -6.601337      4.609466
  C      -2.862118     -7.097282      3.296417
  H      -2.154941     -7.448514      5.297923
  H      -1.303511     -6.124726      4.482239
  H      -3.708770     -7.764121      3.502830
  H      -2.122641     -7.649120      2.694876
  H      -6.686130     -6.324086      1.937401
  H      -5.843684     -7.235199      3.204259
  H      -4.682490     -5.499721      0.948335
  H      -4.412472     -7.238375      1.224301
  H      -1.688443     -3.329509      1.208013
  H      -3.123237     -3.891354      0.339802
  H      -1.371224     -5.329155      2.373062
  H      -2.049463     -5.968334      0.858354
  C      -3.882347     -1.985028      2.095235
  C      -2.939179     -0.968134      1.843612
  C      -3.340893      0.356200      1.699098
  C      -4.688363      0.664742      1.837036
  F      -5.078204      1.957523      1.761759
  C      -5.658341     -0.314209      2.070813
  C      -7.070909      0.004100      2.394776
  O      -7.993069     -0.777237      2.240037
  C      -7.403193      1.343277      3.126462
  O      -8.303400      2.071544      2.808452
  C      -6.533529      1.543514      4.405094
  O      -5.652051      0.755356      4.648101
  Cl     -6.936527      2.917700      5.380717
  C      -5.239886     -1.647899      2.157579
  C      -7.140576     -4.799913      3.978367
  C      -8.342866     -5.541445      3.984821
  C      -9.449177     -5.023899      4.675402
  C      -9.396025     -3.810678      5.367688
  F     -10.474342     -3.377991      6.030751
  C      -8.202931     -3.059408      5.387007
  C      -7.891500     -1.717459      5.947508
  O      -8.567088     -0.734482      6.077578
  C      -5.861588     -1.725537      6.937407
  O      -4.049766     -3.301851      7.254966
  C      -5.502199     -0.399715      7.537870
  O      -6.270309      0.384146      8.013662
  Cl     -3.698211     -0.184353      7.766548
  C      -7.151142     -3.596908      4.675762
  C      -3.554381     -5.775095      6.540852
  C      -2.538664     -5.827731      7.517809
  C      -2.854668     -5.782555      8.869483
  C      -4.185416     -5.629253      9.245211
  F      -4.472057     -5.478581     10.553873
  C      -5.226713     -5.621331      8.306391
  C      -6.625115     -5.301154      8.630412
  O      -7.545103     -5.357463      7.820720
  C      -7.063138     -4.809351     10.021628
  O      -7.522475     -5.556280     10.850281
  C      -6.993231     -3.270830     10.221521
  O      -6.129824     -2.585589      9.753236
  Cl     -8.288884     -2.652288     11.251721
  C      -4.887047     -5.761213      6.951714
  H      -1.878526     -1.210798      1.772909
  H      -2.620407      1.151796      1.509425
  H      -5.995414     -2.423559      2.291080
  H      -8.441561     -6.503060      3.480614
  H     -10.386321     -5.581631      4.697395
  H      -6.141515     -3.234747      4.580970
  H      -1.491235     -5.870804      7.215515
  H      -2.079967     -5.805894      9.635598
  H      -5.692949     -5.754293      6.217388
  N      -4.471338     -2.877072      5.113312
  N      -5.053407     -1.834373      5.673119
  H      -4.052923     -2.357190      7.529083
  H      -6.699225     -1.747671      5.640374
  H      -4.798194     -0.919288      5.275433
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.769859092341
  N      -3.493974     -3.326573      2.338161
  C      -2.615625     -3.915937      1.325087
  C      -2.270007     -5.336227      1.734895
  N      -3.372695     -5.920953      2.540935
  C      -4.571186     -6.265315      1.729772
  C      -5.810249     -6.308650      2.613025
  N      -5.876774     -5.128362      3.479662
  Mo     -4.066072     -4.259324      3.994751
  N      -3.272205     -5.662305      5.160982
  C      -2.285211     -6.603497      4.606688
  C      -2.867013     -7.099762      3.297265
  H      -2.148549     -7.449554      5.295799
  H      -1.299934     -6.128367      4.473924
  H      -3.715082     -7.763050      3.508939
  H      -2.132794     -7.655208      2.692640
  H      -6.693164     -6.327904      1.953102
  H      -5.842619     -7.235063      3.216368
  H      -4.692833     -5.495147      0.956830
  H      -4.422267     -7.234727      1.225982
  H      -1.688643     -3.332277      1.209696
  H      -3.130322     -3.886782      0.348343
  H      -1.374351     -5.334564      2.372093
  H      -2.057025     -5.968916      0.857878
  C      -3.875719     -1.979573      2.105297
  C      -2.929459     -0.965772      1.853905
  C      -3.328428      0.358628      1.704033
  C      -4.676296      0.670444      1.834349
  F      -5.062680      1.963367      1.751873
  C      -5.649311     -0.305742      2.066409
  C      -7.065523      0.015810      2.374348
  O      -7.985004     -0.767409      2.212983
  C      -7.409751      1.358600      3.094315
  O      -8.304087      2.085892      2.757715
  C      -6.562701      1.560959      4.386877
  O      -5.685522      0.772210      4.642466
  Cl     -6.984415      2.932751      5.358188
  C      -5.232833     -1.639753      2.162198
  C      -7.143595     -4.799569      3.987318
  C      -8.343050     -5.546221      3.994058
  C      -9.452159     -5.030334      4.679781
  C      -9.406429     -3.811956      5.365069
  F     -10.489558     -3.381282      6.021275
  C      -8.219054     -3.053206      5.383584
  C      -7.909545     -1.702079      5.928115
  O      -8.585462     -0.720979      6.069429
  C      -5.852138     -1.711599      6.925124
  O      -4.013542     -3.306382      7.273628
  C      -5.510753     -0.385950      7.526497
  O      -6.282840      0.393369      8.004582
  Cl     -3.704624     -0.161047      7.752749
  C      -7.161064     -3.591189      4.678810
  C      -3.547278     -5.781163      6.542651
  C      -2.532302     -5.847533      7.519004
  C      -2.849082     -5.812329      8.870725
  C      -4.179580     -5.657076      9.248158
  F      -4.464818     -5.516907     10.558181
  C      -5.220286     -5.636065      8.309540
  C      -6.617343     -5.310327      8.633365
  O      -7.536391     -5.355273      7.821859
  C      -7.054872     -4.825209     10.026693
  O      -7.511249     -5.574934     10.854327
  C      -6.986340     -3.286737     10.227230
  O      -6.126510     -2.601293      9.752385
  Cl     -8.273520     -2.669456     11.268173
  C      -4.879909     -5.763735      6.954034
  H      -1.868844     -1.210669      1.790241
  H      -2.605600      1.152495      1.515846
  H      -5.990000     -2.413116      2.300239
  H      -8.436690     -6.510620      3.494371
  H     -10.386811     -5.592311      4.702773
  H      -6.154402     -3.224276      4.587882
  H      -1.484821     -5.891867      7.217040
  H      -2.074707     -5.845721      9.636844
  H      -5.685590     -5.743825      6.219683
  N      -4.469472     -2.864067      5.114176
  N      -5.050857     -1.822976      5.665463
  H      -4.014539     -2.345480      7.540204
  H      -6.721041     -1.734270      5.642318
  H      -4.800975     -0.906780      5.266901
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.772020864668
  N      -3.492083     -3.325541      2.341561
  C      -2.616133     -3.915910      1.326504
  C      -2.271355     -5.336786      1.735186
  N      -3.374097     -5.921244      2.541537
  C      -4.573334     -6.264562      1.731130
  C      -5.811245     -6.308683      2.615898
  N      -5.877512     -5.127928      3.482369
  Mo     -4.064803     -4.258570      3.996893
  N      -3.270097     -5.661910      5.161303
  C      -2.284444     -6.604200      4.605882
  C      -2.868697     -7.100484      3.297447
  H      -2.147126     -7.449954      5.295184
  H      -1.299170     -6.129615      4.471510
  H      -3.717263     -7.762649      3.510577
  H      -2.136006     -7.657066      2.692015
  H      -6.695035     -6.328862      1.957219
  H      -5.842228     -7.234966      3.219464
  H      -4.695693     -5.493518      0.959157
  H      -4.425063     -7.233423      1.226086
  H      -1.688731     -3.333201      1.209867
  H      -3.132510     -3.885609      0.350720
  H      -1.375327     -5.336096      2.371828
  H      -2.059178     -5.969102      0.857717
  C      -3.873662     -1.978142      2.107988
  C      -2.926412     -0.965275      1.856875
  C      -3.324447      0.359187      1.705567
  C      -4.672388      0.671986      1.833595
  F      -5.057708      1.964998      1.749190
  C      -5.646390     -0.303370      2.064905
  C      -7.063650      0.019133      2.368020
  O      -7.982354     -0.764567      2.204488
  C      -7.411594      1.362737      3.084852
  O      -8.303540      2.090249      2.742352
  C      -6.571954      1.565108      4.382007
  O      -5.696242      0.776044      4.641367
  Cl     -6.999720      2.935666      5.352466
  C      -5.230664     -1.637541      2.163121
  C      -7.144439     -4.799510      3.989433
  C      -8.343071     -5.547625      3.996150
  C      -9.453152     -5.032121      4.680123
  C      -9.409587     -3.812267      5.363132
  F     -10.494141     -3.381921      6.017154
  C      -8.223578     -3.051649      5.381703
  C      -7.914648     -1.698303      5.921816
  O      -8.590441     -0.717704      6.066433
  C      -5.849680     -1.708612      6.921196
  O      -4.003644     -3.308211      7.278712
  C      -5.513608     -0.383362      7.523149
  O      -6.286828      0.394344      8.002223
  Cl     -3.707090     -0.156276      7.749801
  C      -7.163959     -3.589689      4.679062
  C      -3.545342     -5.782541      6.543096
  C      -2.530404     -5.853320      7.519041
  C      -2.847137     -5.820391      8.870823
  C      -4.177339     -5.663230      9.248892
  F      -4.461927     -5.525723     10.559299
  C      -5.218028     -5.637639      8.310454
  C      -6.614568     -5.309756      8.634401
  O      -7.533297     -5.350525      7.822311
  C      -7.052263     -4.829214     10.029156
  O      -7.508236     -5.581281     10.854852
  C      -6.984120     -3.291146     10.232881
  O      -6.124865     -2.604757      9.758194
  Cl     -8.268694     -2.676398     11.278372
  C      -4.877842     -5.762670      6.954722
  H      -1.865831     -1.210889      1.795372
  H      -2.600878      1.152532      1.517994
  H      -5.988365     -2.410213      2.302224
  H      -8.435175     -6.512845      3.497805
  H     -10.387164     -5.595178      4.703199
  H      -6.158157     -3.221597      4.589353
  H      -1.483013     -5.898966      7.216968
  H      -2.072782     -5.857196      9.636813
  H      -5.683517     -5.738660      6.220483
  N      -4.469211     -2.860922      5.114057
  N      -5.050405     -1.820387      5.663093
  H      -4.004090     -2.343691      7.542910
  H      -6.727567     -1.731067      5.642938
  H      -4.802028     -0.903757      5.264464
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.774304282056
  N      -3.490113     -3.324344      2.345478
  C      -2.616687     -3.915659      1.328274
  C      -2.272772     -5.337171      1.735632
  N      -3.375598     -5.921421      2.542216
  C      -4.575587     -6.263540      1.732538
  C      -5.812303     -6.308599      2.618853
  N      -5.878313     -5.127462      3.485270
  Mo     -4.063537     -4.257840      3.999365
  N      -3.267978     -5.661689      5.161749
  C      -2.283719     -6.605042      4.605034
  C      -2.870518     -7.101190      3.297567
  H      -2.145724     -7.450571      5.294425
  H      -1.298453     -6.131005      4.469053
  H      -3.719607     -7.762197      3.512133
  H      -2.139423     -7.658890      2.691237
  H      -6.696985     -6.329671      1.961449
  H      -5.841854     -7.234814      3.222548
  H      -4.698676     -5.491477      0.961685
  H      -4.427977     -7.231755      1.226058
  H      -1.688868     -3.333907      1.210374
  H      -3.134840     -3.884079      0.353514
  H      -1.376373     -5.337548      2.371721
  H      -2.061412     -5.969010      0.857637
  C      -3.871515     -1.976515      2.111253
  C      -2.923180     -0.964621      1.860661
  C      -3.320181      0.359921      1.707927
  C      -4.668214      0.673720      1.833315
  F      -5.052408      1.966831      1.746933
  C      -5.643301     -0.300789      2.063535
  C      -7.061718      0.022643      2.361244
  O      -7.979536     -0.761584      2.195163
  C      -7.413833      1.366996      3.074715
  O      -8.303251      2.094654      2.725943
  C      -6.582478      1.569114      4.376941
  O      -5.708455      0.779632      4.640399
  Cl     -7.016861      2.938217      5.346556
  C      -5.228403     -1.635114      2.164345
  C      -7.145350     -4.799478      3.991733
  C      -8.343086     -5.549166      3.998348
  C      -9.454229     -5.034107      4.680412
  C      -9.412976     -3.812688      5.360953
  F     -10.499103     -3.382607      6.012494
  C      -8.228400     -3.050085      5.379624
  C      -7.920104     -1.694317      5.914885
  O      -8.595675     -0.714173      6.062903
  C      -5.847078     -1.705405      6.916978
  O      -3.993136     -3.310163      7.284407
  C      -5.516747     -0.380514      7.519435
  O      -6.291165      0.395635      7.999371
  Cl     -3.709782     -0.150922      7.746305
  C      -7.167066     -3.588154      4.679414
  C      -3.543422     -5.784487      6.543650
  C      -2.528536     -5.860163      7.519159
  C      -2.845128     -5.829763      8.871006
  C      -4.174964     -5.670566      9.249824
  F      -4.458809     -5.535918     10.560648
  C      -5.215687     -5.640203      8.311668
  C      -6.611596     -5.310074      8.636032
  O      -7.530083     -5.346054      7.823440
  C      -7.048752     -4.832539     10.031869
  O      -7.503652     -5.586045     10.856806
  C      -6.980218     -3.294762     10.237246
  O      -6.122808     -2.608076      9.759606
  Cl     -8.261959     -2.680658     11.286425
  C      -4.875771     -5.762261      6.955630
  H      -1.862634     -1.211005      1.801560
  H      -2.595800      1.152734      1.521204
  H      -5.986694     -2.407067      2.304359
  H      -8.433518     -6.515236      3.501383
  H     -10.387581     -5.598281      4.703483
  H      -6.162185     -3.218846      4.591067
  H      -1.481253     -5.907197      7.216929
  H      -2.070757     -5.870250      9.636804
  H      -5.681482     -5.733869      6.221580
  N      -4.469038     -2.857690      5.114112
  N      -5.050000     -1.817710      5.660696
  H      -3.993032     -2.341719      7.545958
  H      -6.734827     -1.727746      5.644021
  H      -4.803229     -0.900626      5.261932
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.776601990352
  N      -3.488138     -3.323228      2.349254
  C      -2.617291     -3.915519      1.329881
  C      -2.274243     -5.337648      1.735960
  N      -3.377133     -5.921640      2.542850
  C      -4.577900     -6.262589      1.733960
  C      -5.813383     -6.308534      2.621870
  N      -5.879072     -5.126977      3.488180
  Mo     -4.062234     -4.257088      4.001758
  N      -3.265785     -5.661381      5.162154
  C      -2.282955     -6.605845      4.604161
  C      -2.872354     -7.101913      3.297694
  H      -2.144266     -7.451117      5.293675
  H      -1.297699     -6.132377      4.466510
  H      -3.721960     -7.761745      3.513755
  H      -2.142879     -7.660765      2.690475
  H      -6.698975     -6.330508      1.965772
  H      -5.841501     -7.234648      3.225735
  H      -4.701740     -5.489544      0.964195
  H      -4.430983     -7.230181      1.226086
  H      -1.689060     -3.334734      1.210647
  H      -3.137264     -3.882692      0.356175
  H      -1.377453     -5.339067      2.371460
  H      -2.063737     -5.969051      0.857461
  C      -3.869354     -1.974982      2.114348
  C      -2.919878     -0.964112      1.864299
  C      -3.315764      0.360527      1.710182
  C      -4.663864      0.675393      1.832945
  F      -5.046851      1.968623      1.744621
  C      -5.640107     -0.298212      2.062017
  C      -7.059688      0.026196      2.354232
  O      -7.976597     -0.758539      2.185438
  C      -7.416138      1.371208      3.064418
  O      -8.302896      2.099070      2.709278
  C      -6.593462      1.572836      4.371916
  O      -5.721242      0.782842      4.639492
  Cl     -7.034711      2.940268      5.340829
  C      -5.226127     -1.632730      2.165396
  C      -7.146182     -4.799381      3.994064
  C      -8.343014     -5.550630      4.000658
  C      -9.455191     -5.035950      4.680763
  C      -9.416194     -3.812932      5.358718
  F     -10.503872     -3.383025      6.007745
  C      -8.233027     -3.048379      5.377452
  C      -7.925262     -1.690201      5.907702
  O      -8.600504     -0.710443      6.059181
  C      -5.844071     -1.702208      6.912454
  O      -3.982251     -3.312155      7.289896
  C      -5.519539     -0.377777      7.515425
  O      -6.295076      0.396758      7.996371
  Cl     -3.712120     -0.145727      7.742419
  C      -7.170039     -3.586506      4.679722
  C      -3.541437     -5.786176      6.544172
  C      -2.526620     -5.866728      7.519222
  C      -2.843143     -5.838689      8.871119
  C      -4.172634     -5.677294      9.250620
  F      -4.455781     -5.545340     10.561825
  C      -5.213334     -5.642084      8.312694
  C      -6.608639     -5.309522      8.637228
  O      -7.526824     -5.341225      7.824115
  C      -7.045775     -4.836209     10.034393
  O      -7.500360     -5.591789     10.857571
  C      -6.977995     -3.298742     10.242250
  O      -6.120713     -2.611326      9.765276
  Cl     -8.255498     -2.687433     11.298038
  C      -4.873636     -5.761371      6.956420
  H      -1.859388     -1.211324      1.807617
  H      -2.590530      1.152775      1.524342
  H      -5.985051     -2.403924      2.306296
  H      -8.431789     -6.517580      3.505151
  H     -10.387895     -5.601211      4.703887
  H      -6.166122     -3.216010      4.592706
  H      -1.479446     -5.915278      7.216860
  H      -2.068808     -5.882860      9.636757
  H      -5.679327     -5.728588      6.222527
  N      -4.468830     -2.854387      5.113979
  N      -5.049417     -1.815045      5.658123
  H      -3.981567     -2.339808      7.548708
  H      -6.742107     -1.724381      5.645365
  H      -4.804278     -0.897489      5.259190
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.778881960279
  N      -3.486221     -3.322035      2.353202
  C      -2.617957     -3.915274      1.331641
  C      -2.275784     -5.338040      1.736381
  N      -3.378751     -5.921788      2.543551
  C      -4.580292     -6.261512      1.735442
  C      -5.814539     -6.308359      2.624931
  N      -5.879892     -5.126415      3.491166
  Mo     -4.060990     -4.256320      4.004280
  N      -3.263679     -5.661106      5.162647
  C      -2.282286     -6.606652      4.603330
  C      -2.874291     -7.102588      3.297847
  H      -2.142913     -7.451701      5.292928
  H      -1.297040     -6.133755      4.464033
  H      -3.724414     -7.761246      3.515380
  H      -2.146444     -7.662573      2.689721
  H      -6.701029     -6.331193      1.970125
  H      -5.841257     -7.234393      3.228931
  H      -4.704865     -5.487454      0.966799
  H      -4.434081     -7.228463      1.226140
  H      -1.689318     -3.335454      1.211093
  H      -3.139749     -3.881161      0.358993
  H      -1.378607     -5.340534      2.371297
  H      -2.066135     -5.968979      0.857358
  C      -3.867229     -1.973363      2.117651
  C      -2.916555     -0.963547      1.868264
  C      -3.311245      0.361211      1.712816
  C      -4.659402      0.677176      1.832844
  F      -5.041130      1.970541      1.742597
  C      -5.636862     -0.295501      2.060608
  C      -7.057628      0.029885      2.347110
  O      -7.973591     -0.755350      2.175411
  C      -7.418593      1.375456      3.054026
  O      -8.302548      2.103575      2.692424
  C      -6.604922      1.576369      4.366927
  O      -5.734651      0.785751      4.638639
  Cl     -7.053193      2.941964      5.335242
  C      -5.223877     -1.630222      2.166566
  C      -7.147067     -4.799198      3.996453
  C      -8.342975     -5.552027      4.002992
  C      -9.456199     -5.037725      4.681078
  C      -9.419460     -3.813087      5.356371
  F     -10.508721     -3.383298      6.002781
  C      -8.237691     -3.046593      5.375183
  C      -7.930421     -1.685945      5.900241
  O      -8.605259     -0.706528      6.055112
  C      -5.840995     -1.698889      6.907797
  O      -3.971239     -3.314121      7.295601
  C      -5.522340     -0.374880      7.511171
  O      -6.298993      0.398140      7.993035
  Cl     -3.714452     -0.140353      7.738255
  C      -7.173074     -3.584760      4.680076
  C      -3.539495     -5.788051      6.544788
  C      -2.524723     -5.873539      7.519350
  C      -2.841041     -5.848064      8.871315
  C      -4.170128     -5.684661      9.251653
  F      -4.452475     -5.555650     10.563281
  C      -5.210883     -5.644607      8.314092
  C      -6.605521     -5.309859      8.639219
  O      -7.523531     -5.336737      7.825735
  C      -7.042078     -4.840051     10.037637
  O      -7.495157     -5.597437     10.859944
  C      -6.973791     -3.302985     10.247830
  O      -6.119617     -2.614786      9.766395
  Cl     -8.250010     -2.692263     11.305353
  C      -4.871515     -5.760845      6.957488
  H      -1.856134     -1.211635      1.814069
  H      -2.585112      1.152876      1.527964
  H      -5.983477     -2.400633      2.308245
  H      -8.430068     -6.519858      3.508945
  H     -10.388265     -5.604058      4.704228
  H      -6.170119     -3.213126      4.594429
  H      -1.477679     -5.923518      7.216777
  H      -2.066667     -5.895971      9.636697
  H      -5.677262     -5.723668      6.223859
  N      -4.468659     -2.851061      5.113925
  N      -5.048814     -1.812373      5.655532
  H      -3.969979     -2.337799      7.551542
  H      -6.749613     -1.720971      5.646945
  H      -4.805310     -0.894355      5.256377
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.781155987444
  N      -3.484275     -3.320927      2.357075
  C      -2.618603     -3.915072      1.333308
  C      -2.277290     -5.338461      1.736700
  N      -3.380320     -5.921979      2.544168
  C      -4.582625     -6.260498      1.736848
  C      -5.815621     -6.308268      2.627928
  N      -5.880632     -5.125944      3.494091
  Mo     -4.059712     -4.255615      4.006738
  N      -3.261497     -5.660862      5.163072
  C      -2.281541     -6.607494      4.602442
  C      -2.876150     -7.103305      3.297929
  H      -2.141467     -7.452313      5.292127
  H      -1.296311     -6.135159      4.461487
  H      -3.726774     -7.760804      3.516937
  H      -2.149921     -7.664412      2.688905
  H      -6.703011     -6.331968      1.974422
  H      -5.840928     -7.234219      3.232064
  H      -4.707949     -5.485433      0.969325
  H      -4.437116     -7.226803      1.226117
  H      -1.689569     -3.336201      1.211434
  H      -3.142223     -3.879669      0.361732
  H      -1.379721     -5.342012      2.371024
  H      -2.068493     -5.968929      0.857152
  C      -3.865097     -1.971841      2.120904
  C      -2.913192     -0.963096      1.872269
  C      -3.306636      0.361796      1.715596
  C      -4.654833      0.678889      1.832903
  F      -5.035244      1.972406      1.740840
  C      -5.633559     -0.292839      2.059231
  C      -7.055522      0.033531      2.339953
  O      -7.970498     -0.752190      2.165127
  C      -7.421204      1.379528      3.043749
  O      -8.302278      2.107927      2.675667
  C      -6.616999      1.579395      4.362297
  O      -5.748759      0.788072      4.638098
  Cl     -7.072635      2.942821      5.330263
  C      -5.221632     -1.627803      2.167672
  C      -7.147856     -4.799124      3.998787
  C      -8.342819     -5.553546      4.005285
  C      -9.457083     -5.039622      4.681315
  C      -9.422585     -3.813375      5.353907
  F     -10.513428     -3.383684      5.997674
  C      -8.242209     -3.044948      5.372828
  C      -7.935381     -1.681883      5.892639
  O      -8.609761     -0.702781      6.050997
  C      -5.837691     -1.695919      6.902956
  O      -3.960016     -3.316357      7.301134
  C      -5.525008     -0.372477      7.506840
  O      -6.302722      0.398920      7.989786
  Cl     -3.716666     -0.135455      7.733955
  C      -7.176000     -3.583118      4.680368
  C      -3.537566     -5.789806      6.545322
  C      -2.522925     -5.880188      7.519434
  C      -2.839255     -5.857002      8.871423
  C      -4.168000     -5.691297      9.252376
  F      -4.449720     -5.564863     10.564346
  C      -5.208663     -5.646400      8.315013
  C      -6.602680     -5.309054      8.640178
  O      -7.520268     -5.331505      7.826081
  C      -7.039221     -4.842895     10.039701
  O      -7.492468     -5.601923     10.860368
  C      -6.971495     -3.306059     10.251727
  O      -6.116035     -2.617765      9.772536
  Cl     -8.241471     -2.698089     11.318139
  C      -4.869437     -5.759963      6.958223
  H      -1.852853     -1.212088      1.820586
  H      -2.579579      1.152872      1.531821
  H      -5.981933     -2.397415      2.310053
  H      -8.428217     -6.522258      3.512718
  H     -10.388513     -5.607018      4.704496
  H      -6.174063     -3.210351      4.596091
  H      -1.475986     -5.931723      7.216771
  H      -2.064976     -5.908587      9.636670
  H      -5.675098     -5.718374      6.224731
  N      -4.468537     -2.847831      5.113754
  N      -5.048171     -1.809934      5.652896
  H      -3.958193     -2.336157      7.554163
  H      -6.757232     -1.717797      5.648877
  H      -4.806348     -0.891407      5.253544
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.783381432129
  N      -3.482430     -3.319766      2.360975
  C      -2.619374     -3.914857      1.335009
  C      -2.278934     -5.338868      1.737077
  N      -3.382026     -5.922103      2.544875
  C      -4.585116     -6.259384      1.738380
  C      -5.816847     -6.308009      2.631052
  N      -5.881449     -5.125297      3.497117
  Mo     -4.058495     -4.254825      4.009260
  N      -3.259418     -5.660538      5.163595
  C      -2.280934     -6.608265      4.601631
  C      -2.878175     -7.103949      3.298107
  H      -2.140177     -7.452862      5.291398
  H      -1.295712     -6.136520      4.459007
  H      -3.729307     -7.760267      3.518608
  H      -2.153589     -7.666194      2.688179
  H      -6.705132     -6.332531      1.978841
  H      -5.840797     -7.233869      3.235333
  H      -4.711168     -5.483322      0.971969
  H      -4.440354     -7.225059      1.226242
  H      -1.689945     -3.336948      1.211779
  H      -3.144836     -3.878183      0.364516
  H      -1.380962     -5.343483      2.370789
  H      -2.071026     -5.968895      0.857016
  C      -3.863022     -1.970266      2.124173
  C      -2.909825     -0.962644      1.876322
  C      -3.301926      0.362404      1.718441
  C      -4.650139      0.680685      1.832980
  F      -5.029169      1.974375      1.739092
  C      -5.630195     -0.290042      2.057812
  C      -7.053337      0.037350      2.332638
  O      -7.967320     -0.748833      2.154607
  C      -7.423805      1.383705      3.033316
  O      -8.301856      2.112463      2.658727
  C      -6.629230      1.582332      4.357521
  O      -5.763152      0.790184      4.637357
  Cl     -7.092234      2.943482      5.325218
  C      -5.219423     -1.625263      2.168761
  C      -7.148690     -4.798798      4.001228
  C      -8.342718     -5.554776      4.007722
  C      -9.457995     -5.041155      4.681654
  C      -9.425665     -3.813259      5.351421
  F     -10.518078     -3.383535      5.992469
  C      -8.246622     -3.042969      5.370401
  C      -7.940141     -1.677431      5.884768
  O      -8.613970     -0.698570      6.046444
  C      -5.834207     -1.692568      6.897910
  O      -3.948690     -3.318264      7.306742
  C      -5.527448     -0.369608      7.502093
  O      -6.306180      0.400334      7.985998
  Cl     -3.718627     -0.130154      7.729168
  C      -7.178900     -3.581187      4.680713
  C      -3.535611     -5.791567      6.545980
  C      -2.521003     -5.886857      7.519549
  C      -2.837066     -5.866208      8.871608
  C      -4.165372     -5.698506      9.253468
  F      -4.446252     -5.575037     10.565857
  C      -5.206109     -5.648759      8.316543
  C      -6.599435     -5.309288      8.642439
  O      -7.516930     -5.327095      7.828122
  C      -7.035398     -4.847106     10.043356
  O      -7.486976     -5.608254     10.862940
  C      -6.967363     -3.310748     10.258237
  O      -6.115859     -2.621180      9.773840
  Cl     -8.237304     -2.703596     11.325010
  C      -4.867274     -5.759286      6.959411
  H      -1.849590     -1.212609      1.827163
  H      -2.573897      1.152851      1.535773
  H      -5.980478     -2.394035      2.311784
  H      -8.426456     -6.524384      3.516672
  H     -10.388824     -5.609553      4.704884
  H      -6.177955     -3.207391      4.597782
  H      -1.474215     -5.939863      7.216623
  H      -2.062729     -5.921531      9.636544
  H      -5.673006     -5.713350      6.226250
  N      -4.468362     -2.844475      5.113574
  N      -5.047386     -1.807320      5.650133
  H      -3.946285     -2.334142      7.556705
  H      -6.764862     -1.714374      5.650930
  H      -4.807206     -0.888335      5.250474
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.785493804697
  N      -3.480633     -3.318709      2.364726
  C      -2.620053     -3.914613      1.336646
  C      -2.280418     -5.339213      1.737398
  N      -3.383570     -5.922241      2.545474
  C      -4.587370     -6.258339      1.739725
  C      -5.817903     -6.307857      2.633891
  N      -5.882151     -5.124819      3.499907
  Mo     -4.057331     -4.254179      4.011654
  N      -3.257403     -5.660339      5.164049
  C      -2.280295     -6.609076      4.600811
  C      -2.880002     -7.104602      3.298183
  H      -2.138881     -7.453481      5.290629
  H      -1.295090     -6.137868      4.456630
  H      -3.731601     -7.759826      3.520062
  H      -2.156949     -7.667889      2.687401
  H      -6.707025     -6.333159      1.982897
  H      -5.840549     -7.233651      3.238274
  H      -4.714123     -5.481301      0.974406
  H      -4.443289     -7.223385      1.226206
  H      -1.690265     -3.337590      1.212150
  H      -3.147261     -3.876697      0.367188
  H      -1.382076     -5.344837      2.370547
  H      -2.073319     -5.968776      0.856829
  C      -3.861039     -1.968823      2.127386
  C      -2.906582     -0.962265      1.880445
  C      -3.297363      0.362952      1.721554
  C      -4.645583      0.682370      1.833422
  F      -5.023258      1.976240      1.737938
  C      -5.626950     -0.287408      2.056620
  C      -7.051243      0.040930      2.325704
  O      -7.964216     -0.745691      2.144338
  C      -7.426534      1.387457      3.023594
  O      -8.301599      2.116602      2.642764
  C      -6.641661      1.584511      4.353468
  O      -5.777731      0.791489      4.637086
  Cl     -7.112093      2.943102      5.321200
  C      -5.217329     -1.622912      2.169835
  C      -7.149414     -4.798687      4.003445
  C      -8.342519     -5.556183      4.009887
  C      -9.458787     -5.042893      4.681760
  C      -9.428551     -3.813456      5.348830
  F     -10.522490     -3.383713      5.987228
  C      -8.250784     -3.041380      5.367959
  C      -7.944620     -1.673537      5.877122
  O      -8.617904     -0.694904      6.042047
  C      -5.830820     -1.689867      6.892985
  O      -3.937812     -3.320459      7.312035
  C      -5.529850     -0.367506      7.497589
  O      -6.309532      0.400936      7.982534
  Cl     -3.720600     -0.125655      7.724602
  C      -7.181625     -3.579566      4.680962
  C      -3.533842     -5.793278      6.546532
  C      -2.519384     -5.893240      7.519659
  C      -2.835450     -5.874771      8.871734
  C      -4.163405     -5.704852      9.254195
  F      -4.443696     -5.583835     10.566896
  C      -5.204040     -5.650486      8.317490
  C      -6.596743     -5.308529      8.643498
  O      -7.513810     -5.321885      7.828612
  C      -7.032543     -4.849433     10.045368
  O      -7.484129     -5.611926     10.863666
  C      -6.964477     -3.313308     10.261808
  O      -6.111980     -2.623912      9.778768
  Cl     -8.228395     -2.708141     11.336672
  C      -4.865348     -5.758470      6.960179
  H      -1.846454     -1.213170      1.833753
  H      -2.568387      1.152809      1.540092
  H      -5.979121     -2.390885      2.313333
  H      -8.424626     -6.526633      3.520268
  H     -10.389036     -5.612255      4.704992
  H      -6.181679     -3.204782      4.599355
  H      -1.472706     -5.947756      7.216634
  H      -2.061215     -5.933612      9.636515
  H      -5.670982     -5.708343      6.227180
  N      -4.468316     -2.841473      5.113366
  N      -5.046716     -1.805169      5.647541
  H      -3.934894     -2.332720      7.559038
  H      -6.772393     -1.711492      5.653302
  H      -4.808159     -0.885692      5.247636
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.776812507475
  N      -3.478984     -3.317692      2.368253
  C      -2.620820     -3.914429      1.338153
  C      -2.281962     -5.339579      1.737698
  N      -3.385159     -5.922341      2.546096
  C      -4.589664     -6.257292      1.741111
  C      -5.819023     -6.307586      2.636723
  N      -5.882856     -5.124219      3.502652
  Mo     -4.056244     -4.253488      4.013944
  N      -3.255522     -5.660055      5.164536
  C      -2.279779     -6.609788      4.600070
  C      -2.881883     -7.105180      3.298330
  H      -2.137747     -7.454004      5.289949
  H      -1.294581     -6.139128      4.454366
  H      -3.733937     -7.759331      3.521562
  H      -2.160327     -7.669497      2.686730
  H      -6.708952     -6.333606      1.986904
  H      -5.840460     -7.233300      3.241228
  H      -4.717077     -5.479339      0.976817
  H      -4.446282     -7.221756      1.226301
  H      -1.690690     -3.338271      1.212382
  H      -3.149732     -3.875365      0.369705
  H      -1.383247     -5.346156      2.370279
  H      -2.075680     -5.968744      0.856665
  C      -3.859179     -1.967443      2.130375
  C      -2.903467     -0.961953      1.884310
  C      -3.292899      0.363445      1.724470
  C      -4.641100      0.684012      1.833774
  F      -5.017416      1.978075      1.736771
  C      -5.623775     -0.284806      2.055377
  C      -7.049144      0.044482      2.318914
  O      -7.961150     -0.742533      2.134309
  C      -7.429101      1.391118      3.014154
  O      -8.301180      2.120713      2.627340
  C      -6.653692      1.586451      4.349483
  O      -5.791919      0.792485      4.636642
  Cl     -7.131261      2.942460      5.317352
  C      -5.215346     -1.620601      2.170766
  C      -7.150105     -4.798357      4.005661
  C      -8.342345     -5.557260      4.012120
  C      -9.459529     -5.044194      4.681982
  C      -9.431214     -3.813242      5.346343
  F     -10.526589     -3.383345      5.982149
  C      -8.254602     -3.039538      5.365561
  C      -7.948636     -1.669461      5.869583
  O      -8.621320     -0.690980      6.037476
  C      -5.827333     -1.686975      6.888047
  O      -3.927263     -3.322237      7.317063
  C      -5.531846     -0.365135      7.492880
  O      -6.312380      0.401987      7.978766
  Cl     -3.722167     -0.121062      7.719761
  C      -7.184147     -3.577752      4.681226
  C      -3.532086     -5.794818      6.547135
  C      -2.517682     -5.899270      7.519744
  C      -2.833531     -5.883004      8.871871
  C      -4.161070     -5.711113      9.255132
  F      -4.440624     -5.592684     10.568186
  C      -5.201739     -5.652281      8.318821
  C      -6.593796     -5.308249      8.645419
  O      -7.510725     -5.317440      7.830321
  C      -7.029179     -4.852918     10.048550
  O      -7.479714     -5.617352     10.865582
  C      -6.961055     -3.317220     10.267617
  O      -6.111242     -2.626752      9.781345
  Cl     -8.223908     -2.713373     11.344338
  C      -4.863389     -5.757640      6.961232
  H      -1.843461     -1.213819      1.839976
  H      -2.562976      1.152701      1.544171
  H      -5.977889     -2.387771      2.314683
  H      -8.422938     -6.528534      3.523925
  H     -10.389261     -5.614414      4.705251
  H      -6.185141     -3.202121      4.600840
  H      -1.471152     -5.955236      7.216482
  H      -2.059277     -5.945271      9.636370
  H      -5.669048     -5.703546      6.228537
  N      -4.468197     -2.838497      5.113087
  N      -5.045909     -1.802960      5.644908
  H      -3.923836     -2.331052      7.561090
  H      -6.779552     -1.708519      5.655716
  H      -4.808876     -0.883059      5.244666
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.792891239123
  N      -3.473452     -3.314303      2.379019
  C      -2.622178     -3.912919      1.342942
  C      -2.285642     -5.339820      1.738389
  N      -3.389136     -5.922111      2.547262
  C      -4.595622     -6.253137      1.744220
  C      -5.821593     -6.306208      2.643999
  N      -5.884278     -5.122403      3.510356
  Mo     -4.052445     -4.251668      4.020735
  N      -3.249818     -5.660210      5.165537
  C      -2.278270     -6.612859      4.597112
  C      -2.887057     -7.106853      3.297505
  H      -2.134906     -7.457027      5.286630
  H      -1.292904     -6.143998      4.447536
  H      -3.740571     -7.757896      3.524033
  H      -2.169791     -7.673869      2.683359
  H      -6.713845     -6.333952      1.997565
  H      -5.839508     -7.232048      3.248299
  H      -4.724857     -5.472064      0.983381
  H      -4.454307     -7.215600      1.225093
  H      -1.691076     -3.339166      1.213839
  H      -3.155914     -3.870095      0.377406
  H      -1.385945     -5.349492      2.369452
  H      -2.081615     -5.967398      0.855735
  C      -3.853672     -1.963071      2.139841
  C      -2.894899     -0.960023      1.896847
  C      -3.281258      0.365716      1.734512
  C      -4.629596      0.688768      1.836206
  F      -5.002734      1.983191      1.735132
  C      -5.615506     -0.277918      2.052686
  C      -7.044168      0.053138      2.300036
  O      -7.952732     -0.735652      2.105940
  C      -7.438671      1.399578      2.987900
  O      -8.302435      2.129995      2.584257
  C      -6.690538      1.589973      4.338468
  O      -5.834612      0.793511      4.634700
  Cl     -7.189358      2.937557      5.307407
  C      -5.209720     -1.614352      2.173994
  C      -7.151486     -4.797758      4.012184
  C      -8.341065     -5.560892      4.018564
  C      -9.460850     -5.048960      4.683129
  C      -9.438209     -3.813948      5.340175
  F     -10.537712     -3.384088      5.968824
  C      -8.265115     -3.035307      5.359579
  C      -7.959796     -1.658820      5.848198
  O      -8.630939     -0.680991      6.024666
  C      -5.816215     -1.679130      6.873347
  O      -3.894400     -3.326789      7.331613
  C      -5.537039     -0.358606      7.478471
  O      -6.320126      0.404582      7.967051
  Cl     -3.726220     -0.107573      7.704624
  C      -7.190947     -3.573159      4.682573
  C      -3.527683     -5.800961      6.548382
  C      -2.514328     -5.923398      7.521448
  C      -2.829550     -5.910437      8.874150
  C      -4.155789     -5.728787      9.258390
  F      -4.433983     -5.616183     10.572129
  C      -5.195828     -5.655560      8.322395
  C      -6.585469     -5.302781      8.649983
  O      -7.501700     -5.298887      7.834083
  C      -7.019496     -4.856919     10.056290
  O      -7.467743     -5.626000     10.870121
  C      -6.950694     -3.322321     10.281540
  O      -6.107705     -2.629703      9.786425
  Cl     -8.207878     -2.721555     11.366225
  C      -4.858391     -5.754491      6.963946
  H      -1.835113     -1.213980      1.859547
  H      -2.549075      1.153742      1.557960
  H      -5.974003     -2.379698      2.318698
  H      -8.417153     -6.534427      3.534268
  H     -10.388897     -5.621954      4.706663
  H      -6.194708     -3.195011      4.605569
  H      -1.467665     -5.990617      7.215688
  H      -2.055669     -5.985227      9.638220
  H      -5.663823     -5.686738      6.232110
  N      -4.467138     -2.830089      5.112183
  N      -5.042996     -1.797066      5.636820
  H      -3.889856     -2.325762      7.566397
  H      -6.799954     -1.701017      5.662876
  H      -4.810931     -0.876052      5.235271
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.794493339621
  N      -3.472049     -3.313482      2.382105
  C      -2.622908     -3.912769      1.344261
  C      -2.286994     -5.340115      1.738679
  N      -3.390518     -5.922195      2.547823
  C      -4.597566     -6.252213      1.745416
  C      -5.822515     -6.305987      2.646393
  N      -5.884834     -5.121934      3.512671
  Mo     -4.051580     -4.251149      4.022740
  N      -3.248235     -5.659997      5.166022
  C      -2.277862     -6.613470      4.596556
  C      -2.888688     -7.107342      3.297684
  H      -2.133954     -7.457485      5.286112
  H      -1.292515     -6.145065      4.445674
  H      -3.742575     -7.757476      3.525361
  H      -2.172693     -7.675227      2.682861
  H      -6.715428     -6.334334      2.000933
  H      -5.839416     -7.231764      3.250782
  H      -4.727361     -5.470329      0.985496
  H      -4.456849     -7.214150      1.225148
  H      -1.691540     -3.339736      1.213998
  H      -3.158151     -3.868975      0.379633
  H      -1.386987     -5.350564      2.369265
  H      -2.083638     -5.967345      0.855633
  C      -3.852098     -1.961956      2.142518
  C      -2.892098     -0.959915      1.900566
  C      -3.277080      0.366044      1.737637
  C      -4.625343      0.690215      1.837027
  F      -4.997119      1.984872      1.734858
  C      -5.612553     -0.275547      2.051756
  C      -7.042131      0.056410      2.294069
  O      -7.949773     -0.732630      2.096603
  C      -7.441141      1.402594      2.979991
  O      -8.301931      2.133641      2.571140
  C      -6.702441      1.590360      4.335824
  O      -5.848646      0.792748      4.634763
  Cl     -7.208248      2.934701      5.305636
  C      -5.208040     -1.612346      2.174749
  C      -7.152025     -4.797528      4.013979
  C      -8.340813     -5.561893      4.020329
  C      -9.461444     -5.050110      4.682907
  C      -9.440464     -3.813780      5.337397
  F     -10.541277     -3.383636      5.963547
  C      -8.268290     -3.033814      5.357060
  C      -7.963007     -1.655452      5.841048
  O      -8.633524     -0.677685      6.020003
  C      -5.813012     -1.677147      6.868551
  O      -3.885131     -3.328515      7.335926
  C      -5.538810     -0.357235      7.473919
  O      -6.322572      0.404751      7.963407
  Cl     -3.727661     -0.104220      7.699968
  C      -7.193067     -3.571615      4.682615
  C      -3.526287     -5.802196      6.548905
  C      -2.513079     -5.928458      7.521417
  C      -2.828246     -5.917397      8.874087
  C      -4.154098     -5.733758      9.258960
  F      -4.431730     -5.623191     10.572954
  C      -5.194054     -5.656510      8.323272
  C      -6.583122     -5.301676      8.651130
  O      -7.498941     -5.293651      7.834797
  C      -7.016983     -4.858753     10.058325
  O      -7.465182     -5.629171     10.870893
  C      -6.947481     -3.324501     10.285596
  O      -6.104079     -2.631943      9.790985
  Cl     -8.200000     -2.725219     11.376360
  C      -4.856800     -5.753368      6.964688
  H      -1.832469     -1.214837      1.865418
  H      -2.543969      1.153493      1.562351
  H      -5.973082     -2.376929      2.319549
  H      -8.415532     -6.536151      3.537311
  H     -10.389082     -5.623777      4.706369
  H      -6.197697     -3.192861      4.606713
  H      -1.466664     -5.996882      7.215588
  H      -2.054460     -5.995179      9.637924
  H      -5.662132     -5.682168      6.233063
  N      -4.467224     -2.827749      5.111814
  N      -5.042367     -1.795567      5.634422
  H      -3.880237     -2.324776      7.567864
  H      -6.806703     -1.698877      5.665764
  H      -4.811674     -0.874158      5.232542
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.796170983694
  N      -3.470604     -3.312590      2.385403
  C      -2.623913     -3.912676      1.345629
  C      -2.288567     -5.340433      1.739045
  N      -3.392080     -5.922252      2.548495
  C      -4.599695     -6.251158      1.746737
  C      -5.823534     -6.305713      2.648982
  N      -5.885466     -5.121421      3.515163
  Mo     -4.050765     -4.250610      4.024894
  N      -3.246625     -5.659719      5.166647
  C      -2.277581     -6.614087      4.596026
  C      -2.890582     -7.107822      3.297971
  H      -2.133076     -7.457934      5.285628
  H      -1.292249     -6.146196      4.443695
  H      -3.744894     -7.756942      3.526898
  H      -2.175972     -7.676684      2.682442
  H      -6.717154     -6.334725      2.004563
  H      -5.839316     -7.231422      3.253468
  H      -4.730088     -5.468363      0.987848
  H      -4.459619     -7.212505      1.225198
  H      -1.692287     -3.340415      1.213940
  H      -3.160897     -3.867939      0.382044
  H      -1.388218     -5.351638      2.369107
  H      -2.085924     -5.967332      0.855609
  C      -3.850386     -1.960751      2.145367
  C      -2.889033     -0.959801      1.904598
  C      -3.272481      0.366431      1.741058
  C      -4.620656      0.691832      1.837905
  F      -4.990955      1.986755      1.734634
  C      -5.609274     -0.272936      2.050647
  C      -7.039797      0.060026      2.287430
  O      -7.946464     -0.729310      2.086566
  C      -7.443514      1.405989      2.971172
  O      -8.300568      2.138118      2.556441
  C      -6.714946      1.590804      4.332582
  O      -5.863628      0.791763      4.634381
  Cl     -7.227835      2.931867      5.303171
  C      -5.206185     -1.610132      2.175442
  C      -7.152664     -4.797253      4.015937
  C      -8.340659     -5.562857      4.022318
  C      -9.462255     -5.051097      4.682662
  C      -9.443054     -3.813292      5.334243
  F     -10.545284     -3.382665      5.957573
  C      -8.271754     -3.032020      5.354173
  C      -7.966495     -1.651659      5.833207
  O      -8.636402     -0.673960      6.014599
  C      -5.809739     -1.674779      6.863264
  O      -3.875497     -3.329808      7.340555
  C      -5.540832     -0.355459      7.468734
  O      -6.325323      0.405294      7.959110
  Cl     -3.729342     -0.100299      7.694817
  C      -7.195387     -3.569910      4.682537
  C      -3.524710     -5.803471      6.549561
  C      -2.511473     -5.933724      7.521197
  C      -2.826363     -5.924993      8.873861
  C      -4.151675     -5.739325      9.259733
  F      -4.428468     -5.631297     10.574072
  C      -5.191729     -5.657553      8.324610
  C      -6.580117     -5.300715      8.653252
  O      -7.495750     -5.288289      7.836765
  C      -7.013506     -4.861785     10.061745
  O      -7.461128     -5.634194     10.872711
  C      -6.943480     -3.328085     10.292097
  O      -6.102359     -2.634566      9.794912
  Cl     -8.194095     -2.730370     11.385775
  C      -4.854940     -5.752050      6.965777
  H      -1.829582     -1.215787      1.871822
  H      -2.538346      1.153247      1.567217
  H      -5.972075     -2.373876      2.320242
  H      -8.413945     -6.537930      3.540766
  H     -10.389501     -5.625404      4.706008
  H      -6.200882     -3.190603      4.607769
  H      -1.465355     -6.003096      7.215295
  H      -2.052555     -6.006037      9.637298
  H      -5.660278     -5.677155      6.234524
  N      -4.467410     -2.825401      5.111304
  N      -5.041850     -1.793832      5.631732
  H      -3.870275     -2.323436      7.569259
  H      -6.814000     -1.696486      5.668867
  H      -4.812606     -0.872102      5.229379
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.797891297809
  N      -3.469093     -3.311654      2.388940
  C      -2.625015     -3.912543      1.347128
  C      -2.290147     -5.340682      1.739521
  N      -3.393640     -5.922300      2.549216
  C      -4.601765     -6.250057      1.748032
  C      -5.824489     -6.305532      2.651509
  N      -5.886117     -5.121045      3.517624
  Mo     -4.050039     -4.250168      4.027161
  N      -3.245035     -5.659511      5.167361
  C      -2.277333     -6.614747      4.595540
  C      -2.892501     -7.108312      3.298293
  H      -2.132190     -7.458437      5.285167
  H      -1.292031     -6.147346      4.441740
  H      -3.747246     -7.756403      3.528461
  H      -2.179283     -7.678158      2.682061
  H      -6.718805     -6.335263      2.008120
  H      -5.839077     -7.231192      3.256062
  H      -4.732776     -5.466262      0.990273
  H      -4.462279     -7.210742      1.225107
  H      -1.693160     -3.341037      1.213874
  H      -3.163874     -3.866872      0.384665
  H      -1.389470     -5.352595      2.369080
  H      -2.088158     -5.967212      0.855681
  C      -3.848570     -1.959491      2.148471
  C      -2.885775     -0.959668      1.909117
  C      -3.267587      0.366867      1.744997
  C      -4.615664      0.693553      1.839083
  F      -4.984398      1.988773      1.734781
  C      -5.605776     -0.270187      2.049566
  C      -7.037248      0.063864      2.280574
  O      -7.942942     -0.725695      2.076081
  C      -7.445783      1.409629      2.962005
  O      -8.298739      2.143029      2.541120
  C      -6.728251      1.590904      4.329453
  O      -5.879654      0.790210      4.634139
  Cl     -7.248588      2.928372      5.300970
  C      -5.204218     -1.607824      2.176151
  C      -7.153390     -4.797194      4.017776
  C      -8.340553     -5.564088      4.024083
  C      -9.463268     -5.052343      4.681935
  C      -9.446020     -3.813011      5.330452
  F     -10.549804     -3.381849      5.950676
  C      -8.275592     -3.030421      5.350840
  C      -7.970415     -1.648060      5.824890
  O      -8.639770     -0.670481      6.008756
  C      -5.806690     -1.672749      6.857746
  O      -3.865851     -3.331289      7.345471
  C      -5.543429     -0.354110      7.463443
  O      -6.328728      0.405297      7.954710
  Cl     -3.731619     -0.096530      7.689664
  C      -7.197955     -3.568389      4.682219
  C      -3.523202     -5.804862      6.550264
  C      -2.509950     -5.939152      7.520922
  C      -2.824683     -5.932862      8.873544
  C      -4.149436     -5.744984      9.260394
  F      -4.425435     -5.639506     10.575061
  C      -5.189534     -5.658448      8.325801
  C      -6.577223     -5.299358      8.655060
  O      -7.492438     -5.281962      7.838199
  C      -7.010126     -4.863815     10.064644
  O      -7.457383     -5.637786     10.874293
  C      -6.938796     -3.330610     10.297484
  O      -6.097815     -2.637216      9.799800
  Cl     -8.183126     -2.734496     11.399040
  C      -4.853143     -5.750618      6.966773
  H      -1.826517     -1.216774      1.878917
  H      -2.532360      1.153030      1.572816
  H      -5.971017     -2.370695      2.320795
  H      -8.412281     -6.540016      3.544068
  H     -10.390110     -5.627311      4.705027
  H      -6.204328     -3.188513      4.608693
  H      -1.464117     -6.009296      7.215136
  H      -2.050927     -6.017238      9.636625
  H      -5.658405     -5.671871      6.235837
  N      -4.467865     -2.823299      5.110790
  N      -5.041661     -1.792314      5.629031
  H      -3.860379     -2.322436      7.570753
  H      -6.821970     -1.694389      5.672332
  H      -4.813944     -0.870250      5.226212
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.799740660883
  N      -3.467451     -3.310629      2.392656
  C      -2.626498     -3.912554      1.348534
  C      -2.292050     -5.341032      1.739960
  N      -3.395448     -5.922347      2.550029
  C      -4.604158     -6.248840      1.749530
  C      -5.825594     -6.305286      2.654416
  N      -5.886824     -5.120562      3.520395
  Mo     -4.049260     -4.249631      4.029562
  N      -3.243247     -5.659134      5.168177
  C      -2.277135     -6.615397      4.595008
  C      -2.894743     -7.108810      3.298725
  H      -2.131270     -7.458883      5.284696
  H      -1.291858     -6.148585      4.439487
  H      -3.749987     -7.755706      3.530338
  H      -2.183115     -7.679817      2.681730
  H      -6.720713     -6.335852      2.012216
  H      -5.838810     -7.230863      3.259093
  H      -4.735884     -5.463944      0.993026
  H      -4.465358     -7.208799      1.225077
  H      -1.694427     -3.341893      1.213268
  H      -3.167622     -3.866002      0.387417
  H      -1.390970     -5.353616      2.368910
  H      -2.090819     -5.967243      0.855726
  C      -3.846533     -1.958123      2.151633
  C      -2.882139     -0.959563      1.913773
  C      -3.262124      0.367316      1.748941
  C      -4.610077      0.695449      1.839990
  F      -4.977075      1.991001      1.734529
  C      -5.601829     -0.267136      2.048055
  C      -7.034272      0.068186      2.272774
  O      -7.938948     -0.721641      2.064667
  C      -7.447856      1.413863      2.951528
  O      -8.295863      2.148989      2.523724
  C      -6.742403      1.591151      4.325481
  O      -5.896933      0.788470      4.633195
  Cl     -7.270519      2.924830      5.297902
  C      -5.201991     -1.605261      2.176645
  C      -7.154185     -4.797000      4.019931
  C      -8.340479     -5.565234      4.026285
  C      -9.464445     -5.053348      4.681321
  C      -9.449315     -3.812267      5.326278
  F     -10.554783     -3.380349      5.943005
  C      -8.279743     -3.028346      5.347102
  C      -7.974611     -1.643828      5.815674
  O      -8.643418     -0.666392      6.002075
  C      -5.803185     -1.670200      6.851448
  O      -3.855110     -3.332230      7.350719
  C      -5.546094     -0.352247      7.457239
  O      -6.332263      0.405706      7.949454
  Cl     -3.733930     -0.091959      7.683625
  C      -7.200723     -3.566548      4.681798
  C      -3.521328     -5.806130      6.551073
  C      -2.507898     -5.945115      7.520434
  C      -2.822160     -5.941543      8.873069
  C      -4.146139     -5.750999      9.261313
  F      -4.420987     -5.648555     10.576404
  C      -5.186458     -5.658803      8.327547
  C      -6.573306     -5.297365      8.657977
  O      -7.488331     -5.274625      7.841038
  C      -7.005743     -4.867816     10.069427
  O      -7.452448     -5.644872     10.876389
  C      -6.934649     -3.335423     10.306993
  O      -6.097011     -2.639990      9.806476
  Cl     -8.176596     -2.742804     11.412966
  C      -4.850839     -5.748363      6.968193
  H      -1.823108     -1.217923      1.886417
  H      -2.525687      1.152733      1.578544
  H      -5.969808     -2.367146      2.321137
  H      -8.410547     -6.542158      3.548095
  H     -10.390879     -5.628977      4.704166
  H      -6.208003     -3.186128      4.609513
  H      -1.462460     -6.016380      7.214594
  H      -2.048333     -6.029876      9.635578
  H      -5.656153     -5.665240      6.237798
  N      -4.468283     -2.821022      5.109988
  N      -5.041395     -1.790425      5.625802
  H      -3.849396     -2.320907      7.572025
  H      -6.830565     -1.691909      5.676070
  H      -4.815370     -0.868102      5.222307
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.801908339183
  N      -3.465327     -3.309207      2.397673
  C      -2.628157     -3.912189      1.350732
  C      -2.293970     -5.341013      1.740912
  N      -3.397299     -5.922238      2.551078
  C      -4.606467     -6.247155      1.751026
  C      -5.826525     -6.305162      2.657323
  N      -5.887645     -5.120378      3.523365
  Mo     -4.048586     -4.249278      4.032655
  N      -3.241388     -5.659057      5.169356
  C      -2.277023     -6.616326      4.594544
  C      -2.897202     -7.109329      3.299210
  H      -2.130321     -7.459698      5.284154
  H      -1.291799     -6.150087      4.437210
  H      -3.753043     -7.754897      3.532252
  H      -2.187307     -7.681569      2.681358
  H      -6.722476     -6.336764      2.016366
  H      -5.838019     -7.230768      3.261950
  H      -4.738998     -5.460730      0.996245
  H      -4.468253     -7.206067      1.224485
  H      -1.695915     -3.342404      1.213031
  H      -3.172052     -3.864584      0.391266
  H      -1.392531     -5.354299      2.369313
  H      -2.093352     -5.966674      0.856152
  C      -3.843971     -1.956291      2.156103
  C      -2.877738     -0.959063      1.920485
  C      -3.255685      0.368219      1.754855
  C      -4.603555      0.697871      1.841881
  F      -4.968647      1.993795      1.735208
  C      -5.597160     -0.263523      2.046614
  C      -7.030755      0.073185      2.263628
  O      -7.934201     -0.716974      2.051240
  C      -7.450216      1.418885      2.938993
  O      -8.291753      2.156413      2.502673
  C      -6.759603      1.591090      4.320823
  O      -5.918026      0.785871      4.632037
  Cl     -7.296811      2.920302      5.294198
  C      -5.199231     -1.602190      2.177497
  C      -7.155347     -4.797451      4.022000
  C      -8.340556     -5.567365      4.028040
  C      -9.466341     -5.055460      4.679440
  C      -9.454124     -3.812380      5.320272
  F     -10.561827     -3.379710      5.932519
  C      -8.285575     -3.026842      5.342066
  C      -7.980868     -1.639924      5.804593
  O      -8.649357     -0.662888      5.993915
  C      -5.800331     -1.668114      6.844207
  O      -3.843279     -3.333545      7.357514
  C      -5.551006     -0.351025      7.450383
  O      -6.338492      0.404965      7.943559
  Cl     -3.738547     -0.087071      7.677577
  C      -7.204614     -3.565195      4.680822
  C      -3.519681     -5.808282      6.552057
  C      -2.506251     -5.953272      7.519935
  C      -2.820278     -5.953051      8.872501
  C      -4.143310     -5.758772      9.262157
  F      -4.417044     -5.659782     10.577676
  C      -5.183658     -5.659373      8.329181
  C      -6.569379     -5.294395      8.660666
  O      -7.483562     -5.263205      7.843080
  C      -7.000736     -4.869055     10.073555
  O      -7.446616     -5.647992     10.879120
  C      -6.925315     -3.337582     10.314911
  O      -6.087783     -2.643365      9.812440
  Cl     -8.155026     -2.746090     11.434886
  C      -4.848711     -5.745886      6.969544
  H      -1.818942     -1.218761      1.896845
  H      -2.517870      1.152880      1.586962
  H      -5.968200     -2.363025      2.321442
  H      -8.408412     -6.545451      3.551955
  H     -10.392234     -5.631974      4.701626
  H      -6.212894     -3.184023      4.610226
  H      -1.461250     -6.025953      7.214347
  H      -2.046591     -6.046376      9.634485
  H      -5.653856     -5.657152      6.239620
  N      -4.469422     -2.819102      5.109287
  N      -5.042151     -1.788773      5.622283
  H      -3.837567     -2.319786      7.574009
  H      -6.841708     -1.689962      5.680448
  H      -4.818249     -0.866149      5.218059
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.804874784516
  N      -3.462305     -3.307380      2.403574
  C      -2.631528     -3.912588      1.352387
  C      -2.297366     -5.341599      1.741530
  N      -3.400250     -5.922242      2.552480
  C      -4.610331     -6.245074      1.753517
  C      -5.828087     -6.304924      2.662238
  N      -5.888653     -5.119781      3.527955
  Mo     -4.047378     -4.248428      4.036370
  N      -3.238171     -5.658146      5.170845
  C      -2.276778     -6.617249      4.593662
  C      -2.901044     -7.110001      3.300120
  H      -2.128755     -7.460236      5.283407
  H      -1.291614     -6.152054      4.433164
  H      -3.757788     -7.753406      3.535717
  H      -2.193924     -7.684385      2.681072
  H      -6.725468     -6.338234      2.023411
  H      -5.836852     -7.230351      3.267139
  H      -4.744235     -5.456642      1.001071
  H      -4.473184     -7.202626      1.224195
  H      -1.699158     -3.344162      1.210031
  H      -3.180160     -3.864120      0.395711
  H      -1.395172     -5.355445      2.368812
  H      -2.097930     -5.966933      0.856268
  C      -3.840184     -1.953961      2.160747
  C      -2.871473     -0.958702      1.927423
  C      -3.246656      0.369087      1.760053
  C      -4.594355      0.700942      1.841846
  F      -4.956819      1.997351      1.733157
  C      -5.590410     -0.258678      2.042937
  C      -7.025252      0.080345      2.250260
  O      -7.927458     -0.710200      2.033724
  C      -7.451248      1.427097      2.919907
  O      -8.283090      2.168422      2.471672
  C      -6.780555      1.592579      4.312045
  O      -5.944488      0.783627      4.627733
  Cl     -7.328748      2.916623      5.286002
  C      -5.195102     -1.598050      2.177356
  C      -7.156778     -4.797397      4.025700
  C      -8.340659     -5.569362      4.032009
  C      -9.468914     -5.056827      4.678296
  C      -9.460549     -3.810667      5.312733
  F     -10.571141     -3.376458      5.918768
  C      -8.293159     -3.023208      5.335334
  C      -7.988835     -1.633154      5.789576
  O      -8.656989     -0.656713      5.982793
  C      -5.795127     -1.663760      6.833466
  O      -3.825332     -3.333045      7.365921
  C      -5.556348     -0.347806      7.439883
  O      -6.345553      0.405457      7.934478
  Cl     -3.743397     -0.078671      7.668048
  C      -7.209569     -3.562418      4.679433
  C      -3.516011     -5.809777      6.553371
  C      -2.501993     -5.964298      7.518347
  C      -2.814566     -5.968430      8.871059
  C      -4.135691     -5.767667      9.263836
  F      -4.406799     -5.674124     10.580179
  C      -5.176683     -5.656631      8.332842
  C      -6.560688     -5.287214      8.667256
  O      -7.474938     -5.246962      7.850155
  C      -6.991926     -4.878688     10.084925
  O      -7.438137     -5.666486     10.881580
  C      -6.923115     -3.349207     10.339074
  O      -6.095159     -2.646306      9.832758
  Cl     -8.152269     -2.771912     11.466749
  C      -4.843908     -5.738982      6.972466
  H      -1.813036     -1.220262      1.908730
  H      -2.506994      1.152596      1.594978
  H      -5.965636     -2.357323      2.321221
  H      -8.405722     -6.549306      3.559434
  H     -10.394152     -5.634383      4.699930
  H      -6.219084     -3.180347      4.610578
  H      -1.457953     -6.040430      7.212285
  H      -2.040624     -6.069893      9.631636
  H      -5.649327     -5.641847      6.243916
  N      -4.470193     -2.816080      5.107241
  N      -5.042374     -1.785272      5.616298
  H      -3.819584     -2.316563      7.575217
  H      -6.855605     -1.686080      5.685496
  H      -4.821481     -0.862570      5.210566
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.809443082129
  N      -3.456523     -3.302900      2.417210
  C      -2.635450     -3.910217      1.359183
  C      -2.300269     -5.339416      1.745716
  N      -3.403004     -5.920938      2.555499
  C      -4.613069     -6.240138      1.755915
  C      -5.828391     -6.305267      2.666646
  N      -5.890460     -5.120861      3.533302
  Mo     -4.047107     -4.248497      4.044141
  N      -3.235198     -5.658946      5.174718
  C      -2.277171     -6.619396      4.593702
  C      -2.905635     -7.110352      3.301588
  H      -2.127283     -7.462616      5.282682
  H      -1.292257     -6.154870      4.430029
  H      -3.763760     -7.751114      3.539205
  H      -2.201723     -7.686960      2.680922
  H      -6.727147     -6.341426      2.029944
  H      -5.832570     -7.231228      3.270733
  H      -4.748711     -5.447339      1.008383
  H      -4.476083     -7.194501      1.220746
  H      -1.703291     -3.343128      1.210101
  H      -3.191368     -3.859985      0.406869
  H      -1.397751     -5.353893      2.372504
  H      -2.100820     -5.963017      0.859208
  C      -3.833497     -1.948635      2.173134
  C      -2.861409     -0.955338      1.946186
  C      -3.233278      0.373109      1.776189
  C      -4.581171      0.707005      1.847062
  F      -4.940669      2.003929      1.735607
  C      -5.580355     -0.251075      2.039742
  C      -7.017416      0.090340      2.229789
  O      -7.917139     -0.701431      2.006910
  C      -7.453690      1.439134      2.889479
  O      -8.267284      2.187896      2.420816
  C      -6.815437      1.594123      4.297763
  O      -5.988492      0.779093      4.620566
  Cl     -7.380064      2.910952      5.271333
  C      -5.188053     -1.591162      2.179517
  C      -7.160717     -4.801052      4.028320
  C      -8.342062     -5.576980      4.032396
  C      -9.476070     -5.064779      4.669207
  C      -9.476177     -3.814442      5.294811
  F     -10.592739     -3.379230      5.889394
  C      -8.311022     -3.023341      5.321370
  C      -8.009859     -1.629131      5.765241
  O      -8.679227     -0.654926      5.964322
  C      -5.795724     -1.661868      6.818716
  O      -3.803261     -3.334088      7.383287
  C      -5.576042     -0.347823      7.427199
  O      -6.369861      0.399956      7.922585
  Cl     -3.763057     -0.068190      7.660865
  C      -7.221518     -3.562816      4.674629
  C      -3.514728     -5.816727      6.555857
  C      -2.501573     -5.988663      7.517334
  C      -2.814211     -6.001268      8.869678
  C      -4.132457     -5.788722      9.265519
  F      -4.401485     -5.703501     10.582689
  C      -5.172688     -5.657273      8.336262
  C      -6.553157     -5.277098      8.673669
  O      -7.463220     -5.206771      7.854040
  C      -6.979325     -4.872711     10.093598
  O      -7.419621     -5.661935     10.892036
  C      -6.880853     -3.346832     10.356828
  O      -6.051670     -2.655558      9.836609
  Cl     -8.056942     -2.761742     11.535474
  C      -4.841263     -5.731890      6.975267
  H      -1.803293     -1.218759      1.937271
  H      -2.491202      1.155688      1.617694
  H      -5.960579     -2.348858      2.321073
  H      -8.401182     -6.559573      3.564633
  H     -10.399798     -5.644810      4.687796
  H      -6.232514     -3.178401      4.610138
  H      -1.458640     -6.070127      7.212508
  H      -2.041353     -6.116931      9.629150
  H      -5.645604     -5.619292      6.247751
  N      -4.475378     -2.815146      5.106385
  N      -5.049320     -1.782882      5.609135
  H      -3.799018     -2.315112      7.581351
  H      -6.882948     -1.685359      5.691293
  H      -4.833613     -0.859970      5.201682
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.816690457635
  N      -3.445882     -3.296260      2.426749
  C      -2.632058     -3.912261      1.364581
  C      -2.300249     -5.341938      1.752975
  N      -3.404599     -5.922014      2.562898
  C      -4.614729     -6.241124      1.762499
  C      -5.829746     -6.306904      2.673193
  N      -5.894011     -5.119329      3.536083
  Mo     -4.049389     -4.242411      4.046641
  N      -3.232069     -5.651238      5.178411
  C      -2.277978     -6.616317      4.598730
  C      -2.909906     -7.110509      3.310249
  H      -2.127542     -7.456811      5.291028
  H      -1.292493     -6.152992      4.430454
  H      -3.770882     -7.747684      3.551505
  H      -2.208372     -7.691937      2.689625
  H      -6.730029     -6.348809      2.037119
  H      -5.830214     -7.231093      3.281114
  H      -4.751252     -5.447238      1.015828
  H      -4.476362     -7.194764      1.226222
  H      -1.698018     -3.348412      1.210627
  H      -3.193077     -3.861659      0.413772
  H      -1.397423     -5.356441      2.379945
  H      -2.101636     -5.967034      0.866981
  C      -3.820774     -1.942415      2.171886
  C      -2.845803     -0.952472      1.941433
  C      -3.217843      0.376200      1.754540
  C      -4.567985      0.712009      1.811755
  F      -4.929050      2.009088      1.684540
  C      -5.566511     -0.245725      2.007134
  C      -7.008358      0.095631      2.179635
  O      -7.904917     -0.701317      1.953029
  C      -7.461808      1.454737      2.818918
  O      -8.274037      2.200005      2.316318
  C      -6.861558      1.626293      4.259087
  O      -6.034204      0.820139      4.640593
  Cl     -7.468970      2.955186      5.204083
  C      -5.173538     -1.584315      2.164424
  C      -7.167763     -4.797942      4.026259
  C      -8.349152     -5.575297      4.027926
  C      -9.491841     -5.060637      4.650930
  C      -9.501327     -3.801173      5.262200
  F     -10.618916     -3.369898      5.857589
  C      -8.339879     -3.000460      5.288137
  C      -8.045144     -1.592407      5.730479
  O      -8.715336     -0.617336      5.954799
  C      -5.784366     -1.632535      6.813987
  O      -3.780883     -3.341352      7.404262
  C      -5.590138     -0.325802      7.430728
  O      -6.388155      0.421328      7.922002
  Cl     -3.771893     -0.051603      7.679758
  C      -7.238917     -3.552284      4.655980
  C      -3.512861     -5.819044      6.559939
  C      -2.495578     -6.017011      7.517728
  C      -2.807230     -6.046408      8.871575
  C      -4.123169     -5.822498      9.273380
  F      -4.385748     -5.753966     10.595229
  C      -5.168160     -5.662515      8.343421
  C      -6.549200     -5.274061      8.689225
  O      -7.465872     -5.159922      7.864643
  C      -6.966016     -4.930167     10.132193
  O      -7.421787     -5.750382     10.894848
  C      -6.826189     -3.420458     10.469375
  O      -5.974798     -2.733181      9.981688
  Cl     -7.971884     -2.843528     11.687659
  C      -4.838275     -5.721853      6.977999
  H      -1.786393     -1.218480      1.945518
  H      -2.474879      1.157345      1.594414
  H      -5.945873     -2.342962      2.313604
  H      -8.400927     -6.565009      3.569752
  H     -10.413094     -5.646335      4.670642
  H      -6.251575     -3.153776      4.608050
  H      -1.455348     -6.103403      7.217644
  H      -2.033641     -6.182145      9.632483
  H      -5.644228     -5.590497      6.245957
  N      -4.474904     -2.801219      5.097521
  N      -5.047611     -1.750667      5.607848
  H      -3.769388     -2.313841      7.608666
  H      -6.923161     -1.648952      5.712169
  H      -4.833193     -0.823532      5.205294
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.825957245325
  N      -3.443982     -3.290751      2.437474
  C      -2.634775     -3.909131      1.379114
  C      -2.305667     -5.339157      1.769644
  N      -3.410438     -5.919682      2.575609
  C      -4.616177     -6.241746      1.771464
  C      -5.830827     -6.312525      2.679518
  N      -5.901633     -5.123171      3.539747
  Mo     -4.063050     -4.239268      4.051266
  N      -3.231119     -5.645535      5.184197
  C      -2.284272     -6.613254      4.603490
  C      -2.917212     -7.107478      3.322947
  H      -2.129701     -7.451154      5.297771
  H      -1.301484     -6.150521      4.427633
  H      -3.776157     -7.743429      3.565119
  H      -2.217388     -7.688825      2.704437
  H      -6.728149     -6.359578      2.043135
  H      -5.827022     -7.235245      3.287500
  H      -4.753780     -5.447797      1.026641
  H      -4.472626     -7.193452      1.235245
  H      -1.700563     -3.347268      1.227663
  H      -3.192453     -3.854801      0.429809
  H      -1.405364     -5.353211      2.399276
  H      -2.104479     -5.963790      0.884632
  C      -3.817886     -1.935309      2.179753
  C      -2.840832     -0.947817      1.953563
  C      -3.212579      0.379638      1.768225
  C      -4.561520      0.713242      1.821243
  F      -4.919218      2.007773      1.697768
  C      -5.560246     -0.245291      2.008120
  C      -6.994762      0.090366      2.169865
  O      -7.887511     -0.705533      1.934968
  C      -7.438595      1.441900      2.808431
  O      -8.226334      2.183608      2.320235
  C      -6.872703      1.606221      4.238765
  O      -6.072425      0.793661      4.634413
  Cl     -7.486872      2.928872      5.162012
  C      -5.168795     -1.581041      2.164891
  C      -7.183896     -4.796662      4.025244
  C      -8.365014     -5.573011      4.022265
  C      -9.514782     -5.052100      4.633184
  C      -9.527637     -3.787330      5.223205
  F     -10.633771     -3.362119      5.827332
  C      -8.372315     -2.980537      5.236341
  C      -8.091834     -1.567878      5.680021
  O      -8.769491     -0.607287      5.923710
  C      -5.775991     -1.626049      6.772777
  O      -3.749520     -3.323852      7.398055
  C      -5.617349     -0.348389      7.412528
  O      -6.417238      0.397789      7.897302
  Cl     -3.789164     -0.043220      7.665315
  C      -7.264801     -3.549921      4.624803
  C      -3.501389     -5.816483      6.563524
  C      -2.482446     -6.041480      7.510013
  C      -2.794756     -6.070209      8.857812
  C      -4.108116     -5.820540      9.264197
  F      -4.371707     -5.756115     10.578355
  C      -5.153464     -5.639815      8.340752
  C      -6.537222     -5.240013      8.693908
  O      -7.449350     -5.104180      7.875393
  C      -6.950464     -4.937232     10.145743
  O      -7.424160     -5.770494     10.875927
  C      -6.779900     -3.455729     10.536040
  O      -5.907410     -2.792013     10.076725
  Cl     -7.904328     -2.887176     11.759825
  C      -4.820862     -5.699932      6.983801
  H      -1.783972     -1.211723      1.966168
  H      -2.469964      1.161724      1.615164
  H      -5.941138     -2.337303      2.313636
  H      -8.411164     -6.566221      3.576748
  H     -10.434221     -5.637160      4.659452
  H      -6.280906     -3.137212      4.600524
  H      -1.443329     -6.147682      7.209083
  H      -2.025221     -6.225053      9.613129
  H      -5.621432     -5.557693      6.260314
  N      -4.486972     -2.796059      5.082913
  N      -5.052179     -1.734932      5.594560
  H      -3.732575     -2.289808      7.597582
  H      -6.966200     -1.634753      5.718886
  H      -4.831719     -0.811668      5.190255
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.832216960521
  N      -3.439934     -3.286427      2.440772
  C      -2.647877     -3.918463      1.374272
  C      -2.329858     -5.351808      1.761120
  N      -3.431013     -5.923286      2.576386
  C      -4.646073     -6.243380      1.782965
  C      -5.848254     -6.307872      2.707324
  N      -5.903335     -5.114978      3.559867
  Mo     -4.064976     -4.229656      4.056663
  N      -3.214600     -5.638067      5.183850
  C      -2.277937     -6.613099      4.593499
  C      -2.933205     -7.111297      3.322051
  H      -2.115934     -7.447315      5.290923
  H      -1.294960     -6.156421      4.399062
  H      -3.794003     -7.742178      3.576049
  H      -2.243009     -7.699347      2.695401
  H      -6.754107     -6.354539      2.082465
  H      -5.839135     -7.226600      3.320403
  H      -4.791940     -5.450270      1.037624
  H      -4.509776     -7.197688      1.244988
  H      -1.706508     -3.368804      1.213177
  H      -3.216188     -3.859767      0.430579
  H      -1.424875     -5.372353      2.384614
  H      -2.140100     -5.979337      0.875442
  C      -3.798439     -1.931390      2.185522
  C      -2.820665     -0.944114      1.961961
  C      -3.193518      0.379780      1.785090
  C      -4.543331      0.705644      1.836406
  F      -4.904532      1.996571      1.710694
  C      -5.540351     -0.259114      2.014662
  C      -6.978916      0.059363      2.154090
  O      -7.868271     -0.732273      1.898799
  C      -7.425071      1.408537      2.778279
  O      -8.177079      2.171144      2.246131
  C      -6.890367      1.583109      4.221742
  O      -6.098307      0.810523      4.658547
  Cl     -7.521700      2.938826      5.077269
  C      -5.145718     -1.586764      2.171188
  C      -7.185564     -4.788453      4.048811
  C      -8.365334     -5.575407      4.053443
  C      -9.514900     -5.055593      4.655816
  C      -9.526743     -3.783945      5.222750
  F     -10.626635     -3.351369      5.827900
  C      -8.374719     -2.972620      5.227321
  C      -8.133712     -1.552394      5.677229
  O      -8.825608     -0.617747      5.939116
  C      -5.746493     -1.606514      6.782572
  O      -3.717630     -3.312027      7.413358
  C      -5.616730     -0.339986      7.439861
  O      -6.438646      0.383854      7.928073
  Cl     -3.777194      0.009658      7.742028
  C      -7.271093     -3.546520      4.623327
  C      -3.476033     -5.799337      6.554428
  C      -2.463517     -6.029713      7.499224
  C      -2.780475     -6.061321      8.843253
  C      -4.090402     -5.804898      9.249619
  F      -4.365756     -5.752944     10.558390
  C      -5.127706     -5.615085      8.321337
  C      -6.516493     -5.231043      8.654881
  O      -7.386397     -5.115955      7.827383
  C      -6.961491     -4.954844     10.097529
  O      -7.424059     -5.808254     10.801690
  C      -6.828070     -3.490961     10.525445
  O      -5.955240     -2.803067     10.083147
  Cl     -7.989213     -3.002686     11.754913
  C      -4.791824     -5.669213      6.967425
  H      -1.764573     -1.204555      1.975627
  H      -2.451675      1.164892      1.636492
  H      -5.914868     -2.343409      2.313676
  H      -8.407471     -6.572659      3.620411
  H     -10.432644     -5.640258      4.690167
  H      -6.302338     -3.101014      4.620792
  H      -1.422085     -6.138390      7.199127
  H      -2.020401     -6.224763      9.598709
  H      -5.584972     -5.521560      6.242651
  N      -4.472512     -2.787612      5.082290
  N      -5.033610     -1.704103      5.611411
  H      -3.691460     -2.267709      7.623548
  H      -6.984273     -1.615768      5.761905
  H      -4.813547     -0.779597      5.201146
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.840294017838
  N      -3.427474     -3.280153      2.448370
  C      -2.636686     -3.912428      1.385040
  C      -2.324761     -5.343286      1.772582
  N      -3.432844     -5.911799      2.581317
  C      -4.643543     -6.229010      1.781372
  C      -5.848138     -6.297900      2.702452
  N      -5.906209     -5.105668      3.555815
  Mo     -4.077651     -4.219305      4.057138
  N      -3.223864     -5.628173      5.187393
  C      -2.289775     -6.605387      4.597262
  C      -2.942535     -7.101945      3.325874
  H      -2.129101     -7.440036      5.293423
  H      -1.306628     -6.149584      4.403980
  H      -3.804236     -7.731597      3.577483
  H      -2.252847     -7.690559      2.700686
  H      -6.752293     -6.345700      2.076262
  H      -5.838317     -7.218032      3.313564
  H      -4.785918     -5.432546      1.038540
  H      -4.505124     -7.181376      1.241549
  H      -1.694368     -3.364733      1.228107
  H      -3.200151     -3.849473      0.439206
  H      -1.423269     -5.365497      2.400012
  H      -2.131957     -5.970275      0.887193
  C      -3.781326     -1.929292      2.185402
  C      -2.802319     -0.942899      1.965593
  C      -3.177187      0.382268      1.774875
  C      -4.529952      0.708369      1.811122
  F      -4.893883      2.000810      1.672417
  C      -5.526507     -0.259724      1.985526
  C      -6.964605      0.057598      2.103657
  O      -7.850830     -0.734499      1.837430
  C      -7.412398      1.407332      2.714626
  O      -8.159176      2.171486      2.145750
  C      -6.927201      1.562471      4.185731
  O      -6.159990      0.772360      4.661487
  Cl     -7.591768      2.918363      5.027339
  C      -5.131342     -1.589449      2.154109
  C      -7.192031     -4.777849      4.037212
  C      -8.367087     -5.572760      4.032253
  C      -9.524722     -5.056736      4.618307
  C      -9.553723     -3.776034      5.176204
  F     -10.668390     -3.357698      5.785423
  C      -8.404502     -2.955064      5.179574
  C      -8.180330     -1.546414      5.640737
  O      -8.873844     -0.620996      5.903641
  C      -5.749222     -1.607272      6.752764
  O      -3.704749     -3.294170      7.410520
  C      -5.651200     -0.357424      7.441610
  O      -6.481066      0.355528      7.930313
  Cl     -3.809809     -0.010452      7.781576
  C      -7.293736     -3.524957      4.598418
  C      -3.486557     -5.796111      6.557338
  C      -2.480074     -6.064480      7.491716
  C      -2.796412     -6.109548      8.837933
  C      -4.095715     -5.825338      9.255237
  F      -4.360771     -5.787494     10.570750
  C      -5.135280     -5.594340      8.334424
  C      -6.512644     -5.178773      8.690708
  O      -7.391482     -4.984674      7.867863
  C      -6.925063     -4.968707     10.157674
  O      -7.433363     -5.856683     10.801957
  C      -6.701947     -3.537605     10.694497
  O      -5.777716     -2.859416     10.304968
  Cl     -7.829649     -3.058411     11.963740
  C      -4.802120     -5.642231      6.977562
  H      -1.743864     -1.203557      1.994188
  H      -2.435504      1.168336      1.628250
  H      -5.901034     -2.347880      2.296502
  H      -8.397186     -6.574463      3.605951
  H     -10.439453     -5.650385      4.649966
  H      -6.335215     -3.065262      4.617177
  H      -1.445552     -6.197784      7.196760
  H      -2.037164     -6.306399      9.591334
  H      -5.598451     -5.469478      6.254021
  N      -4.488040     -2.779758      5.072803
  N      -5.043296     -1.694297      5.602994
  H      -3.675473     -2.250391      7.616406
  H      -7.019838     -1.616941      5.776132
  H      -4.818520     -0.774363      5.191017
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.843828596495
  N      -3.418817     -3.274506      2.462497
  C      -2.637756     -3.909294      1.391975
  C      -2.325868     -5.339734      1.776849
  N      -3.435300     -5.908574      2.584163
  C      -4.645272     -6.222603      1.782888
  C      -5.847971     -6.297191      2.705884
  N      -5.908108     -5.104854      3.559643
  Mo     -4.080883     -4.217098      4.063584
  N      -3.222385     -5.625964      5.191272
  C      -2.289800     -6.603084      4.597436
  C      -2.946828     -7.099836      3.327571
  H      -2.125839     -7.437585      5.293091
  H      -1.307478     -6.146373      4.400778
  H      -3.809713     -7.727293      3.582024
  H      -2.260200     -7.690890      2.700589
  H      -6.753862     -6.348642      2.081648
  H      -5.833124     -7.217967      3.316789
  H      -4.789083     -5.421599      1.044450
  H      -4.506250     -7.171987      1.237649
  H      -1.695132     -3.363572      1.228477
  H      -3.208264     -3.844169      0.449519
  H      -1.424478     -5.362916      2.404286
  H      -2.132812     -5.965276      0.890193
  C      -3.770984     -1.924388      2.197140
  C      -2.789833     -0.939487      1.980756
  C      -3.162924      0.386392      1.784911
  C      -4.516138      0.714224      1.812393
  F      -4.878714      2.007349      1.668432
  C      -5.514431     -0.253294      1.982319
  C      -6.955229      0.065328      2.084349
  O      -7.836164     -0.733350      1.819390
  C      -7.411177      1.416226      2.687476
  O      -8.155522      2.177373      2.105621
  C      -6.962526      1.560917      4.179090
  O      -6.210176      0.762559      4.679042
  Cl     -7.656387      2.911414      5.018403
  C      -5.121178     -1.583861      2.157386
  C      -7.196721     -4.779378      4.035635
  C      -8.368220     -5.580987      4.025911
  C      -9.535439     -5.065764      4.594823
  C      -9.578526     -3.778322      5.143378
  F     -10.709347     -3.355615      5.731938
  C      -8.430332     -2.954019      5.157197
  C      -8.214523     -1.547411      5.622228
  O      -8.911686     -0.626281      5.895338
  C      -5.751788     -1.613253      6.747922
  O      -3.689133     -3.305298      7.430912
  C      -5.675617     -0.373027      7.451948
  O      -6.511407      0.330081      7.944699
  Cl     -3.833993     -0.025099      7.810126
  C      -7.310997     -3.520195      4.589313
  C      -3.487160     -5.801444      6.561469
  C      -2.482929     -6.090513      7.491198
  C      -2.799177     -6.146386      8.838846
  C      -4.092879     -5.849487      9.262074
  F      -4.353543     -5.826488     10.581793
  C      -5.131939     -5.598289      8.344990
  C      -6.504253     -5.179343      8.709058
  O      -7.382519     -4.971752      7.888984
  C      -6.907855     -4.933052     10.166221
  O      -7.439042     -5.790397     10.819458
  C      -6.611789     -3.519422     10.682431
  O      -5.668962     -2.893790     10.268287
  Cl     -7.698495     -2.976825     11.937075
  C      -4.801367     -5.634613      6.984648
  H      -1.731108     -1.201593      2.017810
  H      -2.419833      1.171818      1.641398
  H      -5.892460     -2.341654      2.299962
  H      -8.388797     -6.586613      3.604900
  H     -10.449071     -5.662764      4.617152
  H      -6.358421     -3.051449      4.620333
  H      -1.451170     -6.229636      7.198716
  H      -2.041059     -6.360971      9.591208
  H      -5.598140     -5.444977      6.261014
  N      -4.496431     -2.779945      5.074071
  N      -5.051389     -1.694534      5.606657
  H      -3.658047     -2.260997      7.634373
  H      -7.058177     -1.622152      5.795040
  H      -4.827620     -0.772556      5.197606
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.847560613921
  N      -3.409793     -3.272952      2.466875
  C      -2.642092     -3.916678      1.389782
  C      -2.330095     -5.344966      1.778583
  N      -3.440054     -5.909082      2.588388
  C      -4.650046     -6.224155      1.789011
  C      -5.849715     -6.299081      2.715696
  N      -5.909897     -5.102010      3.563377
  Mo     -4.084431     -4.211645      4.063975
  N      -3.219506     -5.614964      5.195125
  C      -2.289693     -6.594227      4.601140
  C      -2.953091     -7.097729      3.336717
  H      -2.121468     -7.424612      5.300410
  H      -1.308471     -6.137730      4.396721
  H      -3.817142     -7.721208      3.598965
  H      -2.270704     -7.694918      2.710170
  H      -6.757906     -6.357229      2.094706
  H      -5.829386     -7.216569      3.331465
  H      -4.796055     -5.422901      1.051577
  H      -4.511235     -7.172900      1.243216
  H      -1.698895     -3.374735      1.213465
  H      -3.222488     -3.854359      0.452811
  H      -1.428180     -5.366577      2.404879
  H      -2.138118     -5.973466      0.893977
  C      -3.760060     -1.923089      2.195281
  C      -2.778042     -0.939435      1.977444
  C      -3.149793      0.386780      1.777783
  C      -4.502066      0.716398      1.802521
  F      -4.862129      2.009749      1.655408
  C      -5.501854     -0.250081      1.971638
  C      -6.944054      0.069163      2.063432
  O      -7.819403     -0.737683      1.806952
  C      -7.403137      1.421358      2.659582
  O      -8.149802      2.173567      2.081147
  C      -6.979285      1.563879      4.157191
  O      -6.244513      0.758752      4.677253
  Cl     -7.688930      2.916933      4.982753
  C      -5.110240     -1.581189      2.151315
  C      -7.200830     -4.773734      4.032102
  C      -8.370095     -5.578982      4.020993
  C      -9.546786     -5.057813      4.566753
  C      -9.600920     -3.761854      5.098636
  F     -10.746481     -3.323385      5.655796
  C      -8.452025     -2.940188      5.123526
  C      -8.244666     -1.535417      5.593463
  O      -8.946444     -0.618847      5.874471
  C      -5.748429     -1.607229      6.729346
  O      -3.672494     -3.299487      7.435483
  C      -5.692540     -0.378307      7.448975
  O      -6.534270      0.314010      7.945752
  Cl     -3.849957     -0.021905      7.823288
  C      -7.325234     -3.507454      4.571032
  C      -3.483410     -5.789327      6.564851
  C      -2.480396     -6.097951      7.488965
  C      -2.795141     -6.162945      8.837691
  C      -4.082417     -5.851566      9.267751
  F      -4.339540     -5.845430     10.590577
  C      -5.120552     -5.573729      8.354476
  C      -6.488787     -5.158880      8.727149
  O      -7.365143     -4.939083      7.910651
  C      -6.891078     -4.962897     10.195283
  O      -7.416867     -5.849103     10.820607
  C      -6.580256     -3.568278     10.765991
  O      -5.654177     -2.923353     10.338094
  Cl     -7.626617     -3.076945     12.098452
  C      -4.794875     -5.599652      6.991418
  H      -1.719956     -1.202156      2.019094
  H      -2.406038      1.171551      1.634391
  H      -5.882941     -2.337983      2.295807
  H      -8.383091     -6.589892      3.610507
  H     -10.460732     -5.653310      4.578742
  H      -6.379572     -3.028306      4.613723
  H      -1.451012     -6.246155      7.197859
  H      -2.038596     -6.396895      9.587823
  H      -5.592392     -5.395239      6.270810
  N      -4.503053     -2.772864      5.063544
  N      -5.054184     -1.683687      5.598004
  H      -3.637116     -2.255962      7.635298
  H      -7.089354     -1.616023      5.802487
  H      -4.827732     -0.761748      5.187707
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.851533410414
  N      -3.400170     -3.270283      2.474289
  C      -2.651555     -3.921094      1.386695
  C      -2.336029     -5.346973      1.776896
  N      -3.443988     -5.908829      2.590527
  C      -4.654715     -6.226244      1.794859
  C      -5.849251     -6.304255      2.728133
  N      -5.910323     -5.102675      3.570100
  Mo     -4.088774     -4.208795      4.065324
  N      -3.212034     -5.605562      5.198050
  C      -2.283103     -6.582992      4.600562
  C      -2.953985     -7.093752      3.342763
  H      -2.105893     -7.409623      5.302129
  H      -1.305303     -6.123435      4.386496
  H      -3.816376     -7.715254      3.614518
  H      -2.275948     -7.694953      2.715277
  H      -6.760794     -6.371040      2.112773
  H      -5.819529     -7.218346      3.348463
  H      -4.806029     -5.423991      1.059864
  H      -4.515581     -7.173348      1.246656
  H      -1.709618     -3.382200      1.193056
  H      -3.246682     -3.861234      0.458639
  H      -1.432746     -5.366364      2.400726
  H      -2.145279     -5.976941      0.893138
  C      -3.751093     -1.921437      2.199132
  C      -2.771677     -0.935620      1.983681
  C      -3.145563      0.389077      1.788387
  C      -4.496689      0.714755      1.813796
  F      -4.857189      2.006100      1.672145
  C      -5.495201     -0.253714      1.976164
  C      -6.937368      0.060190      2.060574
  O      -7.812921     -0.744275      1.793217
  C      -7.399683      1.413201      2.648515
  O      -8.113430      2.186148      2.047322
  C      -6.996105      1.557300      4.142917
  O      -6.284394      0.744198      4.677544
  Cl     -7.702967      2.924101      4.938936
  C      -5.102060     -1.582695      2.152000
  C      -7.203329     -4.773151      4.034148
  C      -8.369728     -5.583177      4.023955
  C      -9.556029     -5.058117      4.547407
  C      -9.620993     -3.755168      5.061451
  F     -10.777903     -3.301879      5.586718
  C      -8.471954     -2.936638      5.096481
  C      -8.275927     -1.536974      5.576471
  O      -8.985464     -0.629416      5.868378
  C      -5.745412     -1.611714      6.711903
  O      -3.651764     -3.293181      7.442333
  C      -5.714605     -0.397812      7.452484
  O      -6.565201      0.277402      7.955280
  Cl     -3.871991     -0.020807      7.844080
  C      -7.338768     -3.501418      4.557502
  C      -3.476708     -5.782282      6.566879
  C      -2.478987     -6.114092      7.486737
  C      -2.796849     -6.190613      8.835072
  C      -4.077139     -5.861480      9.268315
  F      -4.335464     -5.863043     10.590146
  C      -5.109086     -5.550638      8.357397
  C      -6.473600     -5.117479      8.728594
  O      -7.337977     -4.838654      7.904553
  C      -6.880630     -4.958975     10.201252
  O      -7.476428     -5.838127     10.777315
  C      -6.515515     -3.599409     10.825042
  O      -5.565431     -2.978601     10.418551
  Cl     -7.558158     -3.101761     12.140202
  C      -4.784691     -5.566665      6.994706
  H      -1.714230     -1.194548      2.028711
  H      -2.403759      1.175960      1.649506
  H      -5.873950     -2.339713      2.293724
  H      -8.374674     -6.599064      3.625854
  H     -10.469489     -5.653509      4.550725
  H      -6.402881     -3.007610      4.612013
  H      -1.450672     -6.269940      7.199403
  H      -2.045779     -6.442895      9.583260
  H      -5.579491     -5.343961      6.276952
  N      -4.510928     -2.771526      5.053883
  N      -5.058091     -1.679779      5.591677
  H      -3.612277     -2.254851      7.636744
  H      -7.115909     -1.623594      5.820349
  H      -4.830059     -0.758246      5.177683
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.854835405327
  N      -3.387891     -3.267888      2.483329
  C      -2.659544     -3.925717      1.385021
  C      -2.339650     -5.348920      1.777357
  N      -3.446338     -5.908356      2.594306
  C      -4.657229     -6.226836      1.800843
  C      -5.849476     -6.306206      2.736862
  N      -5.912949     -5.100160      3.573802
  Mo     -4.092896     -4.205950      4.066857
  N      -3.209172     -5.596510      5.202532
  C      -2.279838     -6.571581      4.603338
  C      -2.955011     -7.089510      3.351056
  H      -2.094881     -7.394876      5.306770
  H      -1.305505     -6.108191      4.382407
  H      -3.816013     -7.708825      3.630987
  H      -2.280277     -7.694744      2.724280
  H      -6.762424     -6.380908      2.124678
  H      -5.813032     -7.216772      3.361810
  H      -4.811325     -5.423005      1.068366
  H      -4.518270     -7.172318      1.250359
  H      -1.720372     -3.388902      1.172654
  H      -3.270571     -3.868826      0.466927
  H      -1.435044     -5.365574      2.399068
  H      -2.149768     -5.980454      0.894500
  C      -3.739519     -1.919648      2.201833
  C      -2.759899     -0.934120      1.986722
  C      -3.134210      0.391369      1.781899
  C      -4.486521      0.719326      1.798394
  F      -4.847353      2.011608      1.647174
  C      -5.484704     -0.248715      1.964011
  C      -6.926217      0.066438      2.046234
  O      -7.801551     -0.741105      1.785366
  C      -7.388610      1.425558      2.622402
  O      -8.088291      2.204733      2.011048
  C      -7.012346      1.563154      4.125803
  O      -6.322094      0.737298      4.676467
  Cl     -7.725740      2.934479      4.910182
  C      -5.091444     -1.579287      2.147210
  C      -7.208217     -4.768470      4.030475
  C      -8.372527     -5.580842      4.017709
  C      -9.569017     -5.054693      4.519534
  C      -9.646473     -3.746057      5.017651
  F     -10.812257     -3.286539      5.516210
  C      -8.497866     -2.928095      5.063765
  C      -8.308247     -1.533154      5.554393
  O      -9.023083     -0.629129      5.852265
  C      -5.747183     -1.610911      6.697366
  O      -3.636455     -3.285268      7.451391
  C      -5.736958     -0.408910      7.455109
  O      -6.593214      0.253385      7.962980
  Cl     -3.896439     -0.027127      7.860813
  C      -7.355088     -3.490523      4.541364
  C      -3.475978     -5.778051      6.572199
  C      -2.481042     -6.131957      7.486333
  C      -2.797208     -6.212897      8.834539
  C      -4.069749     -5.866993      9.273455
  F      -4.324977     -5.874796     10.596013
  C      -5.099340     -5.535979      8.369983
  C      -6.458589     -5.101184      8.751190
  O      -7.324381     -4.825184      7.934137
  C      -6.864448     -4.972247     10.228190
  O      -7.485632     -5.851083     10.779235
  C      -6.462200     -3.637745     10.885324
  O      -5.498294     -3.029419     10.493110
  Cl     -7.473824     -3.149805     12.228977
  C      -4.780027     -5.545813      7.005907
  H      -1.701810     -1.193456      2.039309
  H      -2.392198      1.177651      1.642009
  H      -5.864096     -2.336030      2.290064
  H      -8.369061     -6.601495      3.631610
  H     -10.480822     -5.653756      4.514668
  H      -6.426016     -2.985838      4.606380
  H      -1.454653     -6.294472      7.200830
  H      -2.047920     -6.478826      9.578832
  H      -5.574361     -5.311277      6.294023
  N      -4.519936     -2.767113      5.045711
  N      -5.064481     -1.673385      5.584841
  H      -3.594256     -2.253111      7.639599
  H      -7.148878     -1.624855      5.829024
  H      -4.834793     -0.752609      5.168731
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.858221084250
  N      -3.370627     -3.263850      2.492079
  C      -2.668364     -3.930358      1.380230
  C      -2.344190     -5.351464      1.773577
  N      -3.448377     -5.907694      2.596024
  C      -4.661474     -6.227608      1.807103
  C      -5.849575     -6.306026      2.748469
  N      -5.912989     -5.094532      3.578499
  Mo     -4.094579     -4.201627      4.067481
  N      -3.204404     -5.586251      5.206187
  C      -2.273873     -6.558678      4.604781
  C      -2.954380     -7.084699      3.357985
  H      -2.080254     -7.378568      5.309775
  H      -1.303283     -6.091120      4.376509
  H      -3.814072     -7.701526      3.647259
  H      -2.283374     -7.694796      2.731649
  H      -6.765264     -6.389093      2.141699
  H      -5.805278     -7.211552      3.379766
  H      -4.819715     -5.422782      1.076556
  H      -4.524583     -7.172460      1.254567
  H      -1.732566     -3.396953      1.144128
  H      -3.300047     -3.876666      0.475566
  H      -1.437156     -5.365814      2.391971
  H      -2.157041     -5.984872      0.891341
  C      -3.723190     -1.916900      2.204484
  C      -2.745805     -0.928945      1.993160
  C      -3.123322      0.395039      1.784928
  C      -4.477198      0.719674      1.793489
  F      -4.840837      2.010477      1.640037
  C      -5.473740     -0.250637      1.954166
  C      -6.917641      0.058185      2.029813
  O      -7.785860     -0.760523      1.783706
  C      -7.385231      1.420913      2.594017
  O      -8.085154      2.192109      1.983543
  C      -7.035137      1.559333      4.105204
  O      -6.361080      0.734062      4.669804
  Cl     -7.759449      2.938544      4.872271
  C      -5.076303     -1.579393      2.140268
  C      -7.208760     -4.760577      4.030163
  C      -8.371259     -5.576004      4.017978
  C      -9.575935     -5.050230      4.500209
  C      -9.663396     -3.737234      4.982065
  F     -10.836362     -3.269862      5.452379
  C      -8.514435     -2.921226      5.039259
  C      -8.334680     -1.531642      5.543064
  O      -9.055291     -0.634166      5.846108
  C      -5.747266     -1.606901      6.685369
  O      -3.619146     -3.271623      7.461920
  C      -5.759373     -0.413900      7.459909
  O      -6.626436      0.229954      7.972449
  Cl     -3.922727     -0.021014      7.889583
  C      -7.364587     -3.479180      4.530028
  C      -3.476974     -5.772157      6.574495
  C      -2.487449     -6.152569      7.484383
  C      -2.804629     -6.254497      8.833053
  C      -4.069244     -5.895246      9.277320
  F      -4.326191     -5.928915     10.602032
  C      -5.091801     -5.522795      8.377522
  C      -6.446223     -5.074337      8.762730
  O      -7.302359     -4.751751      7.943532
  C      -6.854410     -4.969180     10.241051
  O      -7.500606     -5.841958     10.768343
  C      -6.410693     -3.665292     10.931742
  O      -5.447261     -3.061685     10.533934
  Cl     -7.385400     -3.200908     12.318829
  C      -4.776626     -5.516139      7.010921
  H      -1.686614     -1.185081      2.053266
  H      -2.382525      1.183049      1.648766
  H      -5.847150     -2.337348      2.278003
  H      -8.360468     -6.601459      3.645399
  H     -10.485825     -5.652954      4.489008
  H      -6.444153     -2.960345      4.603988
  H      -1.462084     -6.320746      7.203055
  H      -2.059870     -6.547209      9.575301
  H      -5.569872     -5.257032      6.301360
  N      -4.524165     -2.761368      5.036548
  N      -5.067703     -1.663204      5.577446
  H      -3.574724     -2.246416      7.643499
  H      -7.169984     -1.626269      5.844017
  H      -4.837902     -0.743534      5.155983
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.861402727459
  N      -3.356775     -3.262169      2.499177
  C      -2.682291     -3.935773      1.373293
  C      -2.349675     -5.353765      1.767926
  N      -3.448972     -5.908638      2.597741
  C      -4.663997     -6.232772      1.814535
  C      -5.848888     -6.310222      2.759973
  N      -5.914842     -5.092342      3.582199
  Mo     -4.097533     -4.200235      4.066548
  N      -3.200474     -5.576760      5.209245
  C      -2.267256     -6.544958      4.606304
  C      -2.950550     -7.080004      3.365290
  H      -2.063952     -7.361252      5.312572
  H      -1.301415     -6.071220      4.371443
  H      -3.807621     -7.695754      3.663584
  H      -2.281875     -7.693550      2.740292
  H      -6.766363     -6.403217      2.157734
  H      -5.796499     -7.209981      3.398489
  H      -4.826856     -5.428622      1.084888
  H      -4.527932     -7.177130      1.261951
  H      -1.752922     -3.403293      1.111482
  H      -3.335876     -3.886642      0.484136
  H      -1.439459     -5.363292      2.381421
  H      -2.165244     -5.988987      0.886440
  C      -3.712622     -1.915873      2.204714
  C      -2.736403     -0.926630      1.993987
  C      -3.113886      0.397008      1.785959
  C      -4.466271      0.720610      1.794557
  F      -4.828352      2.010730      1.646490
  C      -5.463718     -0.249492      1.949305
  C      -6.908632      0.058793      2.023312
  O      -7.777730     -0.762316      1.785362
  C      -7.377458      1.428716      2.572695
  O      -8.056650      2.210276      1.949146
  C      -7.047955      1.566008      4.087222
  O      -6.393850      0.729502      4.661205
  Cl     -7.767707      2.953749      4.840938
  C      -5.065929     -1.578162      2.134636
  C      -7.211673     -4.755484      4.027970
  C      -8.371895     -5.572890      4.015916
  C      -9.585311     -5.047696      4.478483
  C      -9.684333     -3.730731      4.945074
  F     -10.864559     -3.259344      5.387663
  C      -8.535733     -2.915190      5.012583
  C      -8.359552     -1.531133      5.530301
  O      -9.083969     -0.636252      5.837232
  C      -5.747368     -1.605693      6.672515
  O      -3.600295     -3.260246      7.471699
  C      -5.777813     -0.422599      7.460787
  O      -6.650582      0.208214      7.977191
  Cl     -3.945058     -0.021689      7.898960
  C      -7.376813     -3.469867      4.517617
  C      -3.477544     -5.767038      6.577374
  C      -2.492001     -6.169879      7.481727
  C      -2.807397     -6.277274      8.829864
  C      -4.064528     -5.902386      9.279579
  F      -4.321050     -5.946779     10.604394
  C      -5.081909     -5.505292      8.387564
  C      -6.430825     -5.052399      8.782284
  O      -7.285990     -4.718141      7.968293
  C      -6.841271     -4.979865     10.263986
  O      -7.503388     -5.854422     10.769183
  C      -6.375016     -3.698246     10.985805
  O      -5.421169     -3.085928     10.582806
  Cl     -7.331288     -3.261868     12.397694
  C      -4.771727     -5.492921      7.020239
  H      -1.677801     -1.181414      2.056661
  H      -2.373257      1.185602      1.652729
  H      -5.837297     -2.336577      2.271071
  H      -8.353455     -6.603245      3.657297
  H     -10.492119     -5.655085      4.460831
  H      -6.463175     -2.939652      4.598157
  H      -1.467477     -6.345374      7.201437
  H      -2.065149     -6.585433      9.567422
  H      -5.563900     -5.218867      6.317697
  N      -4.529948     -2.757559      5.027126
  N      -5.071038     -1.657299      5.567882
  H      -3.554235     -2.243074      7.644373
  H      -7.193523     -1.629248      5.853164
  H      -4.841105     -0.740075      5.141279
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.864629044249
  N      -3.339965     -3.259309      2.507584
  C      -2.697359     -3.939293      1.365489
  C      -2.356177     -5.355098      1.758408
  N      -3.448805     -5.908654      2.597895
  C      -4.667783     -6.237292      1.822553
  C      -5.848060     -6.312465      2.774074
  N      -5.914560     -5.088107      3.587938
  Mo     -4.098503     -4.198515      4.066300
  N      -3.194233     -5.567477      5.211895
  C      -2.257152     -6.530398      4.605933
  C      -2.943963     -7.074322      3.370048
  H      -2.043075     -7.343829      5.312242
  H      -1.296467     -6.049381      4.364535
  H      -3.798134     -7.689752      3.677362
  H      -2.277396     -7.690667      2.745264
  H      -6.768370     -6.414741      2.177851
  H      -5.787020     -7.205935      3.420436
  H      -4.836698     -5.434075      1.093317
  H      -4.533743     -7.181970      1.270022
  H      -1.775749     -3.407709      1.075705
  H      -3.375821     -3.893669      0.494651
  H      -1.441311     -5.360765      2.365261
  H      -2.177148     -5.991647      0.876602
  C      -3.699489     -1.914225      2.207138
  C      -2.725452     -0.922519      1.998669
  C      -3.105915      0.400466      1.782262
  C      -4.459952      0.722624      1.782053
  F      -4.825710      2.013138      1.623502
  C      -5.454869     -0.249823      1.938829
  C      -6.900610      0.054665      2.014955
  O      -7.766865     -0.774710      1.797863
  C      -7.370139      1.431020      2.548949
  O      -8.043002      2.210657      1.922785
  C      -7.061292      1.568868      4.068769
  O      -6.424690      0.727351      4.653897
  Cl     -7.777385      2.967294      4.807982
  C      -5.053112     -1.578532      2.129585
  C      -7.211081     -4.748615      4.030523
  C      -8.368885     -5.568713      4.020404
  C      -9.589536     -5.045987      4.465552
  C      -9.699096     -3.726276      4.918318
  F     -10.885702     -3.252582      5.335097
  C      -8.550783     -2.911416      4.996048
  C      -8.380294     -1.533411      5.530951
  O      -9.108981     -0.642248      5.840525
  C      -5.742233     -1.602004      6.668022
  O      -3.577058     -3.245554      7.485968
  C      -5.790355     -0.425826      7.468773
  O      -6.671521      0.189256      7.988604
  Cl     -3.962203     -0.010876      7.916072
  C      -7.384158     -3.460913      4.512686
  C      -3.478410     -5.763015      6.578453
  C      -2.499540     -6.188155      7.479550
  C      -2.815978     -6.307515      8.827025
  C      -4.066670     -5.922071      9.280542
  F      -4.326335     -5.980008     10.604592
  C      -5.075171     -5.496014      8.394118
  C      -6.419114     -5.033818      8.792526
  O      -7.265923     -4.675111      7.979588
  C      -6.837772     -4.986433     10.273774
  O      -7.539197     -5.846151     10.750694
  C      -6.348218     -3.728274     11.023360
  O      -5.380752     -3.122307     10.642520
  Cl     -7.300127     -3.307647     12.439403
  C      -4.767122     -5.471858      7.025836
  H      -1.666172     -1.175235      2.066059
  H      -2.366811      1.190066      1.647312
  H      -5.823285     -2.339270      2.263848
  H      -8.343359     -6.603361      3.675565
  H     -10.492534     -5.658743      4.442938
  H      -6.478688     -2.916094      4.598385
  H      -1.475059     -6.368363      7.201772
  H      -2.078182     -6.632593      9.560770
  H      -5.556672     -5.178117      6.328038
  N      -4.530341     -2.753183      5.020937
  N      -5.068850     -1.648583      5.563091
  H      -3.529571     -2.235818      7.650629
  H      -7.209810     -1.632192      5.872439
  H      -4.840445     -0.734180      5.128194
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.867426207048
  N      -3.324156     -3.256919      2.516290
  C      -2.709154     -3.940163      1.361278
  C      -2.360511     -5.354424      1.751609
  N      -3.447909     -5.908130      2.597783
  C      -4.668660     -6.241422      1.828032
  C      -5.845842     -6.315057      2.782709
  N      -5.915046     -5.085196      3.589541
  Mo     -4.101179     -4.198610      4.065403
  N      -3.193388     -5.560749      5.214312
  C      -2.252001     -6.517960      4.606978
  C      -2.938086     -7.068771      3.374370
  H      -2.029176     -7.329421      5.312589
  H      -1.296349     -6.029430      4.362425
  H      -3.789252     -7.684844      3.687096
  H      -2.271605     -7.686194      2.751564
  H      -6.767063     -6.425675      2.190481
  H      -5.777929     -7.202997      3.435566
  H      -4.841866     -5.439397      1.098772
  H      -4.535469     -7.186419      1.276504
  H      -1.795833     -3.408071      1.048570
  H      -3.407957     -3.896748      0.507104
  H      -1.442423     -5.356906      2.353834
  H      -2.185136     -5.991087      0.869144
  C      -3.687738     -1.912452      2.211005
  C      -2.714767     -0.918333      2.010574
  C      -3.096554      0.403681      1.794349
  C      -4.451627      0.722884      1.786234
  F      -4.818080      2.012329      1.632644
  C      -5.446473     -0.250942      1.932604
  C      -6.893626      0.049859      2.006699
  O      -7.761841     -0.779741      1.793196
  C      -7.366471      1.431151      2.525939
  O      -8.013513      2.222633      1.884006
  C      -7.077210      1.568740      4.048473
  O      -6.458050      0.718659      4.637581
  Cl     -7.784672      2.975521      4.777477
  C      -5.042010     -1.578730      2.122085
  C      -7.212269     -4.743450      4.028610
  C      -8.367650     -5.565574      4.018481
  C      -9.595213     -5.045574      4.448882
  C      -9.714483     -3.724810      4.891940
  F     -10.906114     -3.252277      5.288216
  C      -8.566688     -2.910856      4.979720
  C      -8.398926     -1.540181      5.530361
  O      -9.130424     -0.651704      5.840575
  C      -5.744243     -1.603995      6.657998
  O      -3.557579     -3.232058      7.497435
  C      -5.809718     -0.434830      7.468252
  O      -6.698130      0.166175      7.990596
  Cl     -3.987376     -0.003459      7.918391
  C      -7.392532     -3.454773      4.506715
  C      -3.484796     -5.760249      6.579178
  C      -2.512353     -6.206959      7.476869
  C      -2.829714     -6.336069      8.823104
  C      -4.074611     -5.938173      9.279802
  F      -4.337738     -6.009190     10.602580
  C      -5.073850     -5.483385      8.399424
  C      -6.412082     -5.007477      8.804589
  O      -7.255006     -4.625817      7.996582
  C      -6.832968     -4.974880     10.285511
  O      -7.538841     -5.831919     10.754190
  C      -6.307500     -3.743549     11.055658
  O      -5.351440     -3.134564     10.662484
  Cl     -7.200718     -3.362943     12.535413
  C      -4.767444     -5.450559      7.031247
  H      -1.654747     -1.168861      2.085045
  H      -2.357548      1.194650      1.666823
  H      -5.811375     -2.340366      2.248232
  H      -8.335490     -6.603422      3.685162
  H     -10.494436     -5.663896      4.422274
  H      -6.493716     -2.898543      4.596123
  H      -1.488412     -6.394676      7.200930
  H      -2.096204     -6.679514      9.552879
  H      -5.554009     -5.137264      6.339580
  N      -4.535457     -2.751742      5.013453
  N      -5.073109     -1.646467      5.553464
  H      -3.511507     -2.229533      7.650801
  H      -7.225615     -1.640060      5.885631
  H      -4.847311     -0.735877      5.110074
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.870267215269
  N      -3.308274     -3.255291      2.520586
  C      -2.725109     -3.943402      1.350929
  C      -2.367502     -5.355653      1.738551
  N      -3.446735     -5.908091      2.595998
  C      -4.672089     -6.248160      1.835918
  C      -5.844765     -6.317208      2.796570
  N      -5.914371     -5.080230      3.593773
  Mo     -4.101805     -4.197078      4.062107
  N      -3.188247     -5.550824      5.214571
  C      -2.242076     -6.502146      4.605306
  C      -2.929313     -7.062187      3.377376
  H      -2.008902     -7.310645      5.310714
  H      -1.291873     -6.005428      4.355577
  H      -3.777034     -7.679337      3.697707
  H      -2.263112     -7.681097      2.755564
  H      -6.768491     -6.436741      2.210233
  H      -5.769233     -7.197987      3.458047
  H      -4.851475     -5.449503      1.104771
  H      -4.540913     -7.195097      1.287602
  H      -1.821663     -3.410902      1.011357
  H      -3.447406     -3.903604      0.516401
  H      -1.444050     -5.354129      2.332753
  H      -2.199233     -5.993794      0.855818
  C      -3.676945     -1.911853      2.209255
  C      -2.706475     -0.914645      2.011680
  C      -3.090668      0.406378      1.793061
  C      -4.445534      0.722089      1.781945
  F      -4.813298      2.010690      1.632600
  C      -5.438769     -0.254057      1.923236
  C      -6.886733      0.042174      2.001336
  O      -7.753062     -0.794437      1.808794
  C      -7.360998      1.430586      2.503001
  O      -8.001505      2.219458      1.855718
  C      -7.089353      1.571347      4.029877
  O      -6.484401      0.716550      4.627419
  Cl     -7.791718      2.987571      4.748963
  C      -5.030953     -1.581099      2.112656
  C      -7.210611     -4.735453      4.031611
  C      -8.363210     -5.559935      4.024558
  C      -9.596076     -5.043854      4.442434
  C      -9.724511     -3.721865      4.875335
  F     -10.919723     -3.252609      5.255330
  C      -8.577847     -2.907353      4.970056
  C      -8.412397     -1.543960      5.539951
  O      -9.146732     -0.657424      5.851648
  C      -5.732810     -1.598855      6.656429
  O      -3.527574     -3.215870      7.510582
  C      -5.811619     -0.434727      7.474779
  O      -6.706112      0.152541      8.000598
  Cl     -3.994645      0.008047      7.925581
  C      -7.396918     -3.445957      4.505622
  C      -3.486550     -5.754186      6.577780
  C      -2.520416     -6.223568      7.472277
  C      -2.838749     -6.364891      8.817551
  C      -4.078423     -5.956689      9.278310
  F      -4.345621     -6.046890     10.600605
  C      -5.068041     -5.471810      8.404135
  C      -6.400765     -4.988156      8.815714
  O      -7.238497     -4.589734      8.012299
  C      -6.829569     -4.985170     10.296707
  O      -7.560135     -5.835995     10.741380
  C      -6.302910     -3.766502     11.091233
  O      -5.354007     -3.140694     10.705779
  Cl     -7.217148     -3.408934     12.557528
  C      -4.762866     -5.427278      7.035441
  H      -1.646345     -1.162770      2.088814
  H      -2.353113      1.199050      1.668026
  H      -5.799282     -2.345510      2.235597
  H      -8.324837     -6.601275      3.703935
  H     -10.490528     -5.669040      4.414955
  H      -6.505867     -2.875387      4.596360
  H      -1.497286     -6.419068      7.197920
  H      -2.109508     -6.728724      9.543152
  H      -5.546528     -5.093426      6.349879
  N      -4.531862     -2.746478      5.006652
  N      -5.065153     -1.637100      5.547825
  H      -3.480926     -2.219326      7.655070
  H      -7.235104     -1.642644      5.906985
  H      -4.843061     -0.730748      5.093912
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.872854526444
  N      -3.292950     -3.254039      2.526888
  C      -2.739827     -3.944624      1.343753
  C      -2.374174     -5.355734      1.726570
  N      -3.445612     -5.907719      2.593973
  C      -4.674611     -6.253958      1.842251
  C      -5.842850     -6.319338      2.807940
  N      -5.912790     -5.076682      3.597276
  Mo     -4.102730     -4.197471      4.060284
  N      -3.185131     -5.543573      5.215539
  C      -2.233725     -6.488462      4.604198
  C      -2.920817     -7.056027      3.379269
  H      -1.991126     -7.295134      5.308313
  H      -1.288834     -5.983424      4.351070
  H      -3.765188     -7.675067      3.704839
  H      -2.253859     -7.675145      2.758492
  H      -6.768514     -6.445857      2.226679
  H      -5.760931     -7.194160      3.476367
  H      -4.859517     -5.458174      1.109306
  H      -4.545060     -7.202790      1.296874
  H      -1.846601     -3.410968      0.980107
  H      -3.483652     -3.907255      0.528415
  H      -1.445734     -5.351505      2.313262
  H      -2.213244     -5.994309      0.842800
  C      -3.665851     -1.910966      2.212198
  C      -2.696538     -0.911140      2.021497
  C      -3.082119      0.409314      1.799155
  C      -4.437886      0.722962      1.779220
  F      -4.807858      2.012096      1.624266
  C      -5.430144     -0.255322      1.915094
  C      -6.880452      0.037797      1.991666
  O      -7.745409     -0.803964      1.815874
  C      -7.357042      1.430025      2.479251
  O      -7.981021      2.222984      1.823031
  C      -7.102514      1.571145      4.009252
  O      -6.513199      0.709957      4.611675
  Cl     -7.790422      2.998141      4.718832
  C      -5.019435     -1.582546      2.106643
  C      -7.208299     -4.729962      4.035332
  C      -8.358053     -5.557425      4.030558
  C      -9.595805     -5.045860      4.438313
  C      -9.732566     -3.723699      4.864493
  F     -10.932011     -3.257215      5.228245
  C      -8.586978     -2.908968      4.966726
  C      -8.423851     -1.553465      5.555554
  O      -9.160863     -0.669191      5.867055
  C      -5.725428     -1.598254      6.655595
  O      -3.498698     -3.200185      7.525447
  C      -5.818488     -0.437606      7.479566
  O      -6.720648      0.134516      8.008364
  Cl     -4.008010      0.024480      7.928318
  C      -7.399851     -3.441236      4.508649
  C      -3.492269     -5.749707      6.576011
  C      -2.535482     -6.236254      7.470921
  C      -2.857526     -6.381214      8.813730
  C      -4.093973     -5.965552      9.273672
  F      -4.368581     -6.060140     10.592317
  C      -5.071237     -5.462632      8.403389
  C      -6.399176     -4.971541      8.817168
  O      -7.227082     -4.543271      8.017064
  C      -6.836556     -4.985377     10.295715
  O      -7.586642     -5.825922     10.724382
  C      -6.283896     -3.791964     11.112842
  O      -5.332001     -3.167327     10.737492
  Cl     -7.168114     -3.467524     12.610019
  C      -4.762596     -5.409095      7.036286
  H      -1.636452     -1.157746      2.102606
  H      -2.345320      1.203128      1.676314
  H      -5.787307     -2.349006      2.223783
  H      -8.313783     -6.601067      3.719597
  H     -10.485815     -5.676829      4.408980
  H      -6.516783     -2.856543      4.599421
  H      -1.511733     -6.437690      7.198432
  H      -2.134050     -6.753922      9.535844
  H      -5.540401     -5.059585      6.356187
  N      -4.530578     -2.744550      5.001715
  N      -5.061218     -1.632517      5.542677
  H      -3.454507     -2.207925      7.659404
  H      -7.243146     -1.650204      5.931334
  H      -4.844829     -0.731020      5.076469
79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670615-dZeu/orca E -8051.875194868469
  N      -3.278436     -3.252225      2.531132
  C      -2.752214     -3.943540      1.336527
  C      -2.379434     -5.353914      1.713988
  N      -3.443565     -5.905936      2.590402
  C      -4.675773     -6.258357      1.846623
  C      -5.840054     -6.319805      2.816623
  N      -5.910322     -5.072236      3.599263
  Mo     -4.102927     -4.197421      4.057102
  N      -3.182662     -5.536874      5.214326
  C      -2.226453     -6.475502      4.601208
  C      -2.911958     -7.049182      3.378713
  H      -1.975438     -7.280815      5.303685
  H      -1.286603     -5.962440      4.345987
  H      -3.752889     -7.670823      3.707788
  H      -2.243357     -7.667393      2.759212
  H      -6.767178     -6.452009      2.239729
  H      -5.753003     -7.189457      3.490988
  H      -4.865442     -5.466019      1.111253
  H      -4.547551     -7.209465      1.305171
  H      -1.869251     -3.407964      0.951932
  H      -3.514741     -3.908237      0.539023
  H      -1.446313     -5.347784      2.293525
  H      -2.225896     -5.992422      0.828934
  C      -3.656845     -1.909588      2.213835
  C      -2.689908     -0.906155      2.031901
  C      -3.078561      0.413065      1.807695
  C      -4.435440      0.722275      1.779158
  F      -4.808141      2.010596      1.626608
  C      -5.425218     -0.259210      1.907271
  C      -6.875707      0.027974      1.987401
  O      -7.742065     -0.815048      1.818928
  C      -7.355936      1.424477      2.459390
  O      -7.962966      2.220882      1.791917
  C      -7.116340      1.568524      3.990801
  O      -6.539668      0.701455      4.595869
  Cl     -7.792822      3.003869      4.693690
  C      -5.010357     -1.585381      2.097806
  C      -7.204929     -4.724069      4.039133
  C      -8.351618     -5.554187      4.036361
  C      -9.593216     -5.047701      4.437783
  C      -9.737306     -3.726535      4.860953
  F     -10.939563     -3.266116      5.215969
  C      -8.593265     -2.911020      4.968241
  C      -8.429780     -1.564575      5.576165
  O      -9.168617     -0.681766      5.887561
  C      -5.714255     -1.599421      6.655880
  O      -3.464936     -3.184808      7.538905
  C      -5.819572     -0.441960      7.483918
  O      -6.727311      0.117243      8.015762
  Cl     -4.015951      0.037166      7.925368
  C      -7.400814     -3.436719      4.514190
  C      -3.496609     -5.746618      6.572868
  C      -2.546776     -6.255929      7.465129
  C      -2.871687     -6.417800      8.806383
  C      -4.104504     -5.993095      9.269512
  F      -4.384749     -6.110097     10.586972
  C      -5.070094     -5.455154      8.404651
  C      -6.391785     -4.946697      8.824277
  O      -7.215222     -4.503084      8.030603
  C      -6.834766     -4.974983     10.300936
  O      -7.596066     -5.809098     10.718960
  C      -6.289321     -3.784231     11.125806
  O      -5.348192     -3.142859     10.753314
  Cl     -7.170925     -3.491744     12.633649
  C      -4.759855     -5.387352      7.037972
  H      -1.629300     -1.150011      2.118722
  H      -2.343452      1.209060      1.690358
  H      -5.776666     -2.354466      2.208333
  H      -8.302040     -6.599297      3.732857
  H     -10.478674     -5.684836      4.408699
  H      -6.525062     -2.838871      4.603195
  H      -1.524729     -6.467213      7.193839
  H      -2.153347     -6.815396      9.524421
  H      -5.533811     -5.011219      6.363422
  N      -4.527425     -2.742620      4.996934
  N      -5.054393     -1.629359      5.537618
  H      -3.424242     -2.196245      7.661672
  H      -7.246242     -1.658939      5.956770
  H      -4.845464     -0.733297      5.058634
