77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.771242070496
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
  N      -1.984818     -3.887471      4.917396
  H      -1.734245     -3.034652      4.404961
  H      -1.168619     -4.187779      5.461740
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.801408059297
  N      -3.625365     -3.665825      3.263776
  C      -3.336588     -4.348563      1.998404
  C      -2.678191     -5.696750      2.306192
  N      -3.453502     -6.405668      3.367252
  C      -4.703041     -6.986321      2.781391
  C      -5.880106     -6.585733      3.676731
  N      -5.689764     -5.204990      4.102144
  Mo     -3.845317     -4.837519      4.871505
  N      -2.436882     -6.004007      5.778681
  C      -1.663295     -6.933522      4.963772
  C      -2.642943     -7.507612      3.955007
  H      -1.264008     -7.750594      5.579889
  H      -0.815953     -6.431848      4.467636
  H      -3.328110     -8.173290      4.495463
  H      -2.131336     -8.077979      3.165147
  H      -6.840027     -6.733560      3.165088
  H      -5.884176     -7.212145      4.586180
  H      -4.849357     -6.591376      1.770055
  H      -4.621245     -8.077653      2.699444
  H      -2.651573     -3.745131      1.385587
  H      -4.267168     -4.492345      1.422981
  H      -1.660858     -5.521211      2.673174
  H      -2.620771     -6.313609      1.396611
  C      -4.064945     -2.384215      3.208469
  C      -4.430533     -1.764588      1.985409
  C      -4.874867     -0.462387      1.914294
  Cl     -5.346286      0.127007      0.364001
  C      -4.909258      0.378713      3.074515
  C      -5.402865      1.768418      3.047535
  O      -6.204468      2.212517      2.230829
  C      -4.882189      2.760427      4.091558
  O      -3.941488      2.592950      4.835270
  C      -4.518661     -0.200868      4.275143
  C      -4.158400     -1.555726      4.401984
  C      -3.990311     -2.042995      5.726054
  O      -3.946633     -3.276659      6.023735
  C      -6.605801     -4.229445      3.823910
  C      -6.800637     -3.219344      4.800252
  C      -7.617175     -2.125042      4.604297
  Cl     -7.687274     -0.962308      5.880425
  C      -8.346454     -1.964896      3.389836
  C      -9.171497     -0.788814      3.075830
  O      -9.569404      0.046209      3.886093
  C      -9.523485     -0.509408      1.613988
  O      -8.853747     -0.822883      0.654834
  C      -8.251174     -3.024376      2.477933
  C      -7.414272     -4.126232      2.644325
  C      -7.358265     -5.042893      1.488782
  O      -8.267332     -5.214356      0.694895
  C      -2.052686     -5.821596      7.063363
  C      -0.726370     -6.049545      7.499676
  C      -0.338009     -5.810365      8.805078
  Cl      1.332777     -6.029889      9.171463
  C      -1.267030     -5.352229      9.791805
  C      -0.878863     -5.051162     11.183550
  O       0.092443     -5.522916     11.768992
  C      -1.713082     -4.030508     11.960257
  O      -2.506749     -3.249609     11.482211
  C      -2.598416     -5.221489      9.385611
  C      -3.010184     -5.443938      8.069561
  C      -4.401241     -5.506249      7.746380
  O      -4.841257     -5.590970      6.575557
  H      -4.404178     -2.318521      1.053464
  H      -5.450690      3.718468      4.052135
  H      -4.554433      0.388066      5.185740
  H      -3.960823     -1.321546      6.551699
  H      -6.342403     -3.349814      5.775445
  H     -10.431107      0.131513      1.523353
  H      -8.832387     -2.993963      1.561252
  H      -6.381310     -5.548731      1.323771
  H       0.036572     -6.367452      6.795286
  H      -1.453508     -4.032541     13.044061
  H      -3.356375     -4.955071     10.116260
  H      -5.119650     -5.548581      8.581527
  N      -1.908755     -3.896142      4.880988
  H      -1.660794     -3.058587      4.349767
  H      -1.088158     -4.203059      5.409604
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.818052361305
  N      -3.625792     -3.634446      3.221670
  C      -3.339036     -4.352960      1.973648
  C      -2.661614     -5.694303      2.295827
  N      -3.420158     -6.415024      3.370618
  C      -4.685835     -6.994825      2.797753
  C      -5.864429     -6.582191      3.687005
  N      -5.693711     -5.186859      4.099528
  Mo     -3.811502     -4.816987      4.869553
  N      -2.408260     -6.033075      5.811323
  C      -1.640804     -6.958886      4.984276
  C      -2.611697     -7.518190      3.967236
  H      -1.249579     -7.785536      5.596363
  H      -0.784798     -6.457413      4.495961
  H      -3.307448     -8.179331      4.501413
  H      -2.104114     -8.092880      3.174682
  H      -6.824287     -6.745330      3.174836
  H      -5.866500     -7.203998      4.601267
  H      -4.831691     -6.606640      1.782244
  H      -4.598824     -8.088544      2.724269
  H      -2.662609     -3.756124      1.340869
  H      -4.270740     -4.520847      1.402316
  H      -1.643394     -5.508947      2.658265
  H      -2.609036     -6.320431      1.389283
  C      -4.071578     -2.360465      3.172125
  C      -4.440691     -1.744097      1.943248
  C      -4.895801     -0.443216      1.872787
  Cl     -5.368007      0.133494      0.313920
  C      -4.942777      0.401567      3.030517
  C      -5.452238      1.784684      3.013669
  O      -6.255965      2.236081      2.197117
  C      -4.950305      2.795377      4.060315
  O      -4.002876      2.654374      4.809428
  C      -4.547600     -0.178349      4.235187
  C      -4.174881     -1.529006      4.370640
  C      -4.013383     -1.994781      5.709693
  O      -3.951108     -3.222196      6.048675
  C      -6.622011     -4.216113      3.814755
  C      -6.809017     -3.200345      4.789727
  C      -7.629535     -2.106713      4.593003
  Cl     -7.684107     -0.940460      5.874115
  C      -8.368256     -1.946734      3.382966
  C      -9.197414     -0.773538      3.064995
  O      -9.598407      0.070788      3.869570
  C      -9.558391     -0.474378      1.601040
  O      -8.888112     -0.770024      0.629908
  C      -8.276676     -3.009745      2.471064
  C      -7.438142     -4.116106      2.635424
  C      -7.377308     -5.035071      1.483460
  O      -8.285645     -5.207638      0.677553
  C      -2.031181     -5.859651      7.097100
  C      -0.708970     -6.121140      7.545081
  C      -0.327848     -5.887856      8.855369
  Cl      1.340385     -6.148641      9.227894
  C      -1.248520     -5.405060      9.840625
  C      -0.872520     -5.120300     11.237649
  O       0.084163     -5.613638     11.839472
  C      -1.680736     -4.081216     12.030322
  O      -2.453173     -3.263561     11.565769
  C      -2.574698     -5.238093      9.419903
  C      -2.985168     -5.451823      8.100610
  C      -4.374327     -5.480213      7.778017
  O      -4.823928     -5.561357      6.600104
  H      -4.407369     -2.307520      1.012353
  H      -5.539806      3.745079      4.010337
  H      -4.592944      0.415300      5.147416
  H      -3.997666     -1.254392      6.521476
  H      -6.332293     -3.325042      5.760179
  H     -10.465863      0.175633      1.526448
  H      -8.860872     -2.977796      1.552264
  H      -6.396901     -5.542194      1.322962
  H       0.052222     -6.458593      6.842215
  H      -1.415049     -4.105849     13.116728
  H      -3.333858     -4.952071     10.147981
  H      -5.097140     -5.505472      8.612448
  N      -1.847504     -3.903684      4.843160
  H      -1.612042     -3.078275      4.291902
  H      -1.023964     -4.211069      5.363268
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.827069056021
  N      -3.639261     -3.596882      3.193673
  C      -3.367519     -4.343958      1.962603
  C      -2.673627     -5.675337      2.291401
  N      -3.408543     -6.405337      3.378336
  C      -4.691199     -6.975535      2.824431
  C      -5.859887     -6.556059      3.717275
  N      -5.704032     -5.155445      4.118657
  Mo     -3.783199     -4.786287      4.877243
  N      -2.387902     -6.052738      5.841937
  C      -1.628072     -6.963530      4.992962
  C      -2.599087     -7.508884      3.970869
  H      -1.235217     -7.800438      5.591063
  H      -0.771962     -6.455515      4.510466
  H      -3.300617     -8.169922      4.498015
  H      -2.099074     -8.081695      3.171812
  H      -6.820955     -6.731144      3.209919
  H      -5.856668     -7.173938      4.634270
  H      -4.841443     -6.588229      1.808640
  H      -4.604887     -8.069394      2.752958
  H      -2.702178     -3.757723      1.307166
  H      -4.303634     -4.528161      1.403184
  H      -1.653722     -5.481959      2.645054
  H      -2.630872     -6.306601      1.387277
  C      -4.078527     -2.328866      3.149873
  C      -4.453172     -1.712984      1.919751
  C      -4.906693     -0.411717      1.852803
  Cl     -5.384412      0.164513      0.293161
  C      -4.948936      0.434018      3.007677
  C      -5.462155      1.810918      3.004869
  O      -6.270154      2.273622      2.197280
  C      -4.963932      2.823104      4.056110
  O      -4.009669      2.692531      4.798848
  C      -4.543278     -0.146516      4.210220
  C      -4.170601     -1.495996      4.349571
  C      -4.006768     -1.942404      5.696176
  O      -3.936289     -3.156557      6.079240
  C      -6.642080     -4.200398      3.823272
  C      -6.846277     -3.178510      4.788865
  C      -7.680111     -2.099029      4.573097
  Cl     -7.759359     -0.920335      5.846186
  C      -8.408251     -1.957069      3.355554
  C      -9.244897     -0.801201      3.011036
  O      -9.671892      0.051840      3.793746
  C      -9.587303     -0.511227      1.537895
  O      -8.896466     -0.798692      0.578510
  C      -8.294922     -3.024818      2.452033
  C      -7.448702     -4.123018      2.636431
  C      -7.351222     -5.053991      1.500649
  O      -8.236853     -5.245664      0.671690
  C      -2.011186     -5.890873      7.123204
  C      -0.695131     -6.188459      7.576749
  C      -0.315622     -5.963908      8.887851
  Cl      1.348846     -6.262273      9.263450
  C      -1.223316     -5.458560      9.873172
  C      -0.857237     -5.194883     11.271827
  O       0.080571     -5.712115     11.885474
  C      -1.647325     -4.148424     12.077207
  O      -2.398915     -3.304721     11.625011
  C      -2.541447     -5.249830      9.445492
  C      -2.955535     -5.451921      8.125082
  C      -4.343565     -5.442737      7.808675
  O      -4.809168     -5.516244      6.633815
  H      -4.425444     -2.284964      0.993576
  H      -5.563633      3.766443      4.007410
  H      -4.583433      0.451861      5.120545
  H      -3.992467     -1.181907      6.490039
  H      -6.366797     -3.287289      5.759321
  H     -10.497257      0.133422      1.450997
  H      -8.864491     -3.001557      1.522783
  H      -6.365808     -5.564121      1.377773
  H       0.058369     -6.543071      6.874167
  H      -1.381642     -4.196624     13.162830
  H      -3.294265     -4.942655     10.172788
  H      -5.065310     -5.447185      8.644010
  N      -1.805259     -3.919527      4.803087
  H      -1.581708     -3.106424      4.231204
  H      -0.979008     -4.233172      5.312869
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.832228011029
  N      -3.650286     -3.580937      3.161640
  C      -3.383822     -4.348245      1.946234
  C      -2.667015     -5.662463      2.284392
  N      -3.379990     -6.400792      3.379386
  C      -4.670688     -6.971873      2.842270
  C      -5.835691     -6.549271      3.734439
  N      -5.697918     -5.144605      4.121182
  Mo     -3.753056     -4.768614      4.874298
  N      -2.368973     -6.067809      5.867249
  C      -1.599243     -6.951617      5.001242
  C      -2.561819     -7.496097      3.970002
  H      -1.195071     -7.794060      5.584285
  H      -0.749343     -6.425301      4.528906
  H      -3.262260     -8.165972      4.487331
  H      -2.056892     -8.061550      3.169056
  H      -6.795773     -6.744322      3.232064
  H      -5.826242     -7.158378      4.657359
  H      -4.821448     -6.591372      1.824662
  H      -4.581508     -8.065650      2.776211
  H      -2.731294     -3.769160      1.271033
  H      -4.321410     -4.551437      1.396124
  H      -1.649544     -5.451116      2.634169
  H      -2.621839     -6.298729      1.383690
  C      -4.091195     -2.318815      3.114654
  C      -4.466710     -1.708899      1.880298
  C      -4.925054     -0.411070      1.809016
  Cl     -5.396346      0.162641      0.245820
  C      -4.976957      0.437693      2.959626
  C      -5.503874      1.805978      2.958159
  O      -6.308525      2.266653      2.146266
  C      -5.021239      2.824968      4.011716
  O      -4.065250      2.712587      4.752862
  C      -4.567279     -0.136628      4.163838
  C      -4.184964     -1.482645      4.310280
  C      -4.015575     -1.908723      5.661778
  O      -3.927820     -3.105377      6.085962
  C      -6.638995     -4.196786      3.826889
  C      -6.815836     -3.166394      4.789549
  C      -7.646310     -2.084493      4.581695
  Cl     -7.693740     -0.893756      5.847036
  C      -8.397159     -1.945281      3.379454
  C      -9.233706     -0.790699      3.042126
  O      -9.648672      0.068456      3.824090
  C      -9.592491     -0.497580      1.572457
  O      -8.912139     -0.778813      0.605671
  C      -8.303581     -3.014286      2.476070
  C      -7.462520     -4.117396      2.649914
  C      -7.378603     -5.043218      1.512067
  O      -8.260948     -5.209671      0.675627
  C      -2.000304     -5.913597      7.146641
  C      -0.693710     -6.236830      7.615179
  C      -0.325676     -6.017879      8.928507
  Cl      1.331699     -6.339581      9.322925
  C      -1.232064     -5.497632      9.906105
  C      -0.884629     -5.256407     11.310091
  O       0.036117     -5.791937     11.933144
  C      -1.667212     -4.206956     12.121037
  O      -2.396805     -3.342704     11.675959
  C      -2.539175     -5.257525      9.463024
  C      -2.944341     -5.450999      8.138287
  C      -4.329136     -5.415612      7.815458
  O      -4.800571     -5.484045      6.644083
  H      -4.434768     -2.289972      0.960673
  H      -5.636276      3.757452      3.958249
  H      -4.611298      0.467424      5.069663
  H      -4.010436     -1.126812      6.435982
  H      -6.305986     -3.268097      5.745395
  H     -10.499221      0.152490      1.501795
  H      -8.881592     -2.984750      1.552621
  H      -6.397914     -5.555254      1.378886
  H       0.059597     -6.602262      6.919121
  H      -1.409833     -4.277033     13.206914
  H      -3.292232     -4.935711     10.182798
  H      -5.054638     -5.402944      8.647363
  N      -1.781882     -3.941933      4.762031
  H      -1.569496     -3.139078      4.173327
  H      -0.955270     -4.255760      5.268761
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.835390382422
  N      -3.666325     -3.561078      3.146547
  C      -3.415283     -4.338791      1.937977
  C      -2.679654     -5.638430      2.276409
  N      -3.370713     -6.380460      3.380165
  C      -4.669412     -6.949475      2.862232
  C      -5.821943     -6.528960      3.765064
  N      -5.694541     -5.125036      4.142170
  Mo     -3.728203     -4.744054      4.879845
  N      -2.359347     -6.074194      5.886911
  C      -1.581621     -6.928098      4.999237
  C      -2.541188     -7.470239      3.961252
  H      -1.161164     -7.777230      5.560816
  H      -0.742289     -6.380785      4.534383
  H      -3.235506     -8.152152      4.470694
  H      -2.031614     -8.025373      3.156401
  H      -6.784609     -6.739693      3.273310
  H      -5.800590     -7.132845      4.691366
  H      -4.828834     -6.570669      1.845544
  H      -4.582107     -8.043086      2.795433
  H      -2.777595     -3.766209      1.242874
  H      -4.358848     -4.552292      1.402708
  H      -1.663111     -5.411679      2.618381
  H      -2.634932     -6.277636      1.377746
  C      -4.097153     -2.297472      3.095488
  C      -4.476052     -1.692069      1.859246
  C      -4.926981     -0.393399      1.783838
  Cl     -5.400496      0.180973      0.221952
  C      -4.970951      0.460715      2.930035
  C      -5.501995      1.825843      2.927095
  O      -6.305310      2.283565      2.113185
  C      -5.024378      2.847244      3.980654
  O      -4.062988      2.746314      4.713855
  C      -4.553498     -0.107765      4.133462
  C      -4.174025     -1.454588      4.284522
  C      -3.994108     -1.866752      5.637371
  O      -3.901089     -3.048896      6.091825
  C      -6.640067     -4.189493      3.842882
  C      -6.825255     -3.150735      4.796262
  C      -7.667383     -2.081472      4.578320
  Cl     -7.733302     -0.876453      5.829412
  C      -8.417100     -1.960071      3.374681
  C      -9.262775     -0.817313      3.027169
  O      -9.690044      0.041612      3.801818
  C      -9.607518     -0.528885      1.553089
  O      -8.913094     -0.799307      0.595231
  C      -8.312119     -3.034338      2.479645
  C      -7.465414     -4.129981      2.666683
  C      -7.366153     -5.065830      1.538889
  O      -8.241230     -5.254548      0.701827
  C      -1.991404     -5.931151      7.165166
  C      -0.694138     -6.282234      7.641927
  C      -0.330734     -6.073698      8.956592
  Cl      1.318418     -6.421646      9.364109
  C      -1.232170     -5.541444      9.931060
  C      -0.893904     -5.329847     11.340533
  O       0.013369     -5.889081     11.960855
  C      -1.668203     -4.284180     12.165183
  O      -2.380165     -3.400615     11.734185
  C      -2.529030     -5.267569      9.479799
  C      -2.929765     -5.446994      8.151483
  C      -4.312706     -5.380895      7.825597
  O      -4.792347     -5.438645      6.659781
  H      -4.453531     -2.282364      0.946163
  H      -5.649098      3.772607      3.927276
  H      -4.588679      0.502677      5.034350
  H      -3.987805     -1.067012      6.394363
  H      -6.308360     -3.236992      5.748873
  H     -10.521266      0.109539      1.474875
  H      -8.884195     -3.014456      1.553040
  H      -6.397977     -5.610327      1.447487
  H       0.056147     -6.656890      6.948829
  H      -1.417829     -4.382158     13.250015
  H      -3.278598     -4.931795     10.195547
  H      -5.037323     -5.350808      8.658006
  N      -1.774452     -3.960152      4.723320
  H      -1.571561     -3.163973      4.123208
  H      -0.946450     -4.273205      5.226636
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.837410664224
  N      -3.678928     -3.554525      3.136224
  C      -3.439100     -4.336428      1.929149
  C      -2.684508     -5.622150      2.266347
  N      -3.357038     -6.364775      3.378766
  C      -4.659010     -6.940056      2.879446
  C      -5.801848     -6.522346      3.792710
  N      -5.682178     -5.117947      4.157526
  Mo     -3.703879     -4.728641      4.884273
  N      -2.352111     -6.078617      5.902679
  C      -1.560483     -6.902135      4.998585
  C      -2.512860     -7.446643      3.952777
  H      -1.121176     -7.754883      5.540050
  H      -0.733826     -6.331225      4.541806
  H      -3.197646     -8.143514      4.454506
  H      -1.992748     -7.989723      3.146635
  H      -6.767487     -6.751177      3.314628
  H      -5.765463     -7.118345      4.723907
  H      -4.828366     -6.567182      1.862436
  H      -4.570889     -8.033761      2.815021
  H      -2.817805     -3.766057      1.217308
  H      -4.388250     -4.560079      1.408443
  H      -1.669907     -5.378290      2.601726
  H      -2.635781     -6.264971      1.370477
  C      -4.105362     -2.289107      3.074964
  C      -4.487575     -1.694588      1.834282
  C      -4.937490     -0.397115      1.748017
  Cl     -5.407533      0.168731      0.182884
  C      -4.981396      0.466333      2.888069
  C      -5.522283      1.828147      2.875796
  O      -6.323202      2.275567      2.054805
  C      -5.057270      2.855938      3.928205
  O      -4.092887      2.769523      4.658045
  C      -4.558108     -0.090254      4.094020
  C      -4.174395     -1.435494      4.253790
  C      -3.981362     -1.833326      5.607955
  O      -3.877946     -3.003714      6.083606
  C      -6.630361     -4.188053      3.859196
  C      -6.800168     -3.136985      4.803481
  C      -7.642925     -2.069011      4.587418
  Cl     -7.690115     -0.848677      5.823673
  C      -8.409656     -1.958541      3.393461
  C      -9.258711     -0.818151      3.046661
  O      -9.682831      0.042930      3.819927
  C      -9.613504     -0.541617      1.573130
  O      -8.922245     -0.812581      0.614207
  C      -8.315500     -3.039067      2.505657
  C      -7.470603     -4.135873      2.692152
  C      -7.384851     -5.075210      1.565499
  O      -8.239464     -5.210842      0.698909
  C      -1.986326     -5.944605      7.182088
  C      -0.697821     -6.315901      7.667009
  C      -0.340230     -6.117436      8.984139
  Cl      1.301821     -6.483027      9.402314
  C      -1.241924     -5.578984      9.955302
  C      -0.915206     -5.394908     11.371959
  O      -0.019957     -5.974451     11.989807
  C      -1.691473     -4.359291     12.207523
  O      -2.391026     -3.461871     11.787108
  C      -2.529329     -5.279172      9.495011
  C      -2.922294     -5.445189      8.162472
  C      -4.302983     -5.353361      7.829794
  O      -4.785356     -5.400288      6.666707
  H      -4.469117     -2.294950      0.928178
  H      -5.697127      3.770863      3.875809
  H      -4.589443      0.528475      4.988897
  H      -3.977092     -1.018588      6.349967
  H      -6.263435     -3.211475      5.745777
  H     -10.529704      0.093585      1.497674
  H      -8.894260     -3.022670      1.583212
  H      -6.409861     -5.601396      1.452312
  H       0.052737     -6.695400      6.977398
  H      -1.452158     -4.482010     13.292308
  H      -3.278236     -4.933158     10.205951
  H      -5.027366     -5.309410      8.662258
  N      -1.773908     -3.974998      4.695208
  H      -1.577598     -3.179741      4.092307
  H      -0.945963     -4.281009      5.202437
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.838937034482
  N      -3.687397     -3.549590      3.131902
  C      -3.453778     -4.329383      1.920989
  C      -2.682007     -5.603878      2.253726
  N      -3.340849     -6.346537      3.372747
  C      -4.641767     -6.933520      2.887720
  C      -5.778332     -6.521107      3.810815
  N      -5.664069     -5.115575      4.165967
  Mo     -3.681631     -4.715764      4.888397
  N      -2.347741     -6.078367      5.912260
  C      -1.539284     -6.872872      4.996408
  C      -2.480952     -7.420507      3.941007
  H      -1.081186     -7.727300      5.519548
  H      -0.725779     -6.277673      4.548777
  H      -3.155119     -8.134021      4.433469
  H      -1.946335     -7.949065      3.134735
  H      -6.746896     -6.766156      3.346260
  H      -5.725760     -7.110579      4.745697
  H      -4.821352     -6.566818      1.870605
  H      -4.549515     -8.027249      2.825144
  H      -2.849148     -3.755791      1.197517
  H      -4.407669     -4.562551      1.413370
  H      -1.669969     -5.344265      2.584981
  H      -2.626010     -6.249364      1.360294
  C      -4.111916     -2.282104      3.057740
  C      -4.495116     -1.700572      1.811249
  C      -4.946807     -0.404755      1.710912
  Cl     -5.407617      0.147271      0.139133
  C      -4.996860      0.469199      2.844298
  C      -5.550196      1.827701      2.818316
  O      -6.345841      2.262108      1.985838
  C      -5.104220      2.864247      3.869736
  O      -4.135425      2.796766      4.596026
  C      -4.572227     -0.074072      4.055169
  C      -4.181187     -1.416295      4.225296
  C      -3.978825     -1.802538      5.580868
  O      -3.864178     -2.966181      6.066347
  C      -6.613204     -4.186537      3.870082
  C      -6.752153     -3.118563      4.801506
  C      -7.588727     -2.045245      4.591145
  Cl     -7.593972     -0.806555      5.808952
  C      -8.383309     -1.944254      3.413575
  C      -9.232222     -0.801026      3.071392
  O      -9.639896      0.067747      3.844556
  C      -9.606761     -0.538627      1.600606
  O      -8.928987     -0.821978      0.635547
  C      -8.316049     -3.035557      2.537312
  C      -7.477361     -4.138368      2.718476
  C      -7.424759     -5.084365      1.594086
  O      -8.307983     -5.234026      0.758857
  C      -1.985329     -5.953986      7.194689
  C      -0.704352     -6.340322      7.685744
  C      -0.352967     -6.154949      9.006786
  Cl      1.283362     -6.533886      9.431279
  C      -1.258093     -5.617473      9.976564
  C      -0.943201     -5.462956     11.401263
  O      -0.055756     -6.059733     12.013628
  C      -1.723511     -4.440971     12.249322
  O      -2.414850     -3.531516     11.840478
  C      -2.537584     -5.297445      9.508189
  C      -2.921258     -5.447166      8.170910
  C      -4.299164     -5.332431      7.830071
  O      -4.779690     -5.365579      6.666302
  H      -4.476819     -2.309567      0.910980
  H      -5.758990      3.768736      3.814985
  H      -4.604976      0.552378      4.944653
  H      -3.980224     -0.978456      6.313375
  H      -6.188925     -3.181852      5.729603
  H     -10.525034      0.094765      1.530387
  H      -8.911163     -3.023318      1.625007
  H      -6.483622     -5.670473      1.500115
  H       0.048738     -6.719872      6.998729
  H      -1.496786     -4.588827     13.334011
  H      -3.287900     -4.946597     10.215238
  H      -5.023979     -5.279704      8.662122
  N      -1.773590     -3.976819      4.681189
  H      -1.581450     -3.173322      4.088277
  H      -0.948203     -4.269022      5.200907
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.840243687013
  N      -3.694255     -3.540405      3.135114
  C      -3.469777     -4.317889      1.918950
  C      -2.690654     -5.587715      2.245117
  N      -3.341520     -6.326089      3.370177
  C      -4.641090     -6.921252      2.896360
  C      -5.766703     -6.515741      3.833679
  N      -5.654366     -5.109423      4.181967
  Mo     -3.667437     -4.699110      4.898141
  N      -2.350651     -6.072443      5.918576
  C      -1.534720     -6.850427      4.994341
  C      -2.471008     -7.397034      3.932801
  H      -1.064227     -7.706583      5.503453
  H      -0.730712     -6.239539      4.551571
  H      -3.138076     -8.122086      4.417843
  H      -1.926736     -7.913840      3.125460
  H      -6.740479     -6.771354      3.386181
  H      -5.693762     -7.101496      4.769619
  H      -4.834369     -6.555914      1.881088
  H      -4.545076     -8.014609      2.832225
  H      -2.878020     -3.741593      1.187632
  H      -4.429222     -4.555164      1.424285
  H      -1.678792     -5.321093      2.571911
  H      -2.632468     -6.236176      1.354363
  C      -4.104052     -2.267366      3.046629
  C      -4.486183     -1.696603      1.794792
  C      -4.926226     -0.397448      1.679992
  Cl     -5.384771      0.139498      0.103019
  C      -4.967397      0.489651      2.803988
  C      -5.518705      1.849713      2.763322
  O      -6.306897      2.278138      1.920843
  C      -5.080030      2.892707      3.810667
  O      -4.105165      2.836574      4.530688
  C      -4.543905     -0.043118      4.019523
  C      -4.161898     -1.386133      4.201625
  C      -3.962035     -1.764960      5.559093
  O      -3.853553     -2.927729      6.046708
  C      -6.610575     -4.188591      3.883723
  C      -6.770327     -3.124123      4.816247
  C      -7.625078     -2.064893      4.608325
  Cl     -7.660090     -0.833509      5.832521
  C      -8.414495     -1.971046      3.426212
  C      -9.278838     -0.838102      3.085539
  O      -9.706495      0.016962      3.863160
  C      -9.629393     -0.562724      1.611467
  O      -8.924545     -0.818225      0.657422
  C      -8.329240     -3.060483      2.549971
  C      -7.479149     -4.154796      2.734412
  C      -7.421785     -5.103081      1.611403
  O      -8.292403     -5.237175      0.759517
  C      -1.986663     -5.956835      7.202944
  C      -0.710837     -6.358171      7.693072
  C      -0.359412     -6.187343      9.016895
  Cl      1.272379     -6.583533      9.439126
  C      -1.262275     -5.651293      9.989892
  C      -0.950205     -5.525192     11.419204
  O      -0.066232     -6.138930     12.020152
  C      -1.726593     -4.516007     12.284703
  O      -2.410235     -3.592866     11.891816
  C      -2.536375     -5.311740      9.520704
  C      -2.917643     -5.443767      8.180779
  C      -4.292992     -5.302680      7.838839
  O      -4.773858     -5.319751      6.674373
  H      -4.479331     -2.314187      0.900446
  H      -5.744955      3.789977      3.760003
  H      -4.570505      0.591696      4.903223
  H      -3.963893     -0.937111      6.287381
  H      -6.213477     -3.182763      5.747983
  H     -10.557176      0.055280      1.529392
  H      -8.922849     -3.057440      1.636682
  H      -6.486188     -5.699615      1.529182
  H       0.041260     -6.738435      7.005309
  H      -1.504777     -4.686661     13.367100
  H      -3.284260     -4.956526     10.228138
  H      -5.015135     -5.240650      8.672492
  N      -1.770232     -3.965842      4.676802
  H      -1.583019     -3.143558      4.108229
  H      -0.950834     -4.237092      5.217636
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.841312255659
  N      -3.705857     -3.525721      3.150964
  C      -3.487956     -4.299112      1.928150
  C      -2.704725     -5.568108      2.243901
  N      -3.349469     -6.305890      3.372335
  C      -4.649205     -6.907854      2.909376
  C      -5.763641     -6.509520      3.863334
  N      -5.648255     -5.102104      4.205249
  Mo     -3.657069     -4.684352      4.916361
  N      -2.353710     -6.067815      5.922920
  C      -1.536524     -6.836134      4.991243
  C      -2.470532     -7.377623      3.926426
  H      -1.057881     -7.694513      5.488695
  H      -0.739736     -6.213766      4.551035
  H      -3.132478     -8.112117      4.404144
  H      -1.920676     -7.882341      3.115223
  H      -6.744109     -6.768985      3.433327
  H      -5.669879     -7.093497      4.798585
  H      -4.858137     -6.540445      1.897537
  H      -4.548163     -8.000512      2.840671
  H      -2.907974     -3.716543      1.193353
  H      -4.452316     -4.540176      1.445115
  H      -1.691845     -5.299083      2.567065
  H      -2.646763     -6.217216      1.354015
  C      -4.111190     -2.250692      3.051792
  C      -4.497630     -1.688328      1.796930
  C      -4.935311     -0.388233      1.672504
  Cl     -5.388887      0.135408      0.089723
  C      -4.976142      0.507271      2.789858
  C      -5.529736      1.866487      2.740480
  O      -6.311735      2.291954      1.890379
  C      -5.106245      2.911841      3.791102
  O      -4.122857      2.869846      4.501781
  C      -4.552551     -0.017705      4.008746
  C      -4.168134     -1.358298      4.197849
  C      -3.965671     -1.732854      5.555400
  O      -3.852863     -2.898078      6.035274
  C      -6.604829     -4.184910      3.897268
  C      -6.748993     -3.093609      4.801091
  C      -7.595629     -2.032173      4.571505
  Cl     -7.606992     -0.767434      5.762091
  C      -8.394615     -1.964012      3.393397
  C      -9.254286     -0.834566      3.028995
  O      -9.678824      0.039050      3.787699
  C      -9.620463     -0.603432      1.551373
  O      -8.926552     -0.895909      0.599062
  C      -8.325181     -3.077768      2.547782
  C      -7.484077     -4.176011      2.755668
  C      -7.452697     -5.159311      1.662088
  O      -8.317288     -5.278007      0.800145
  C      -1.984066     -5.962752      7.208360
  C      -0.710383     -6.377699      7.690967
  C      -0.353921     -6.224922      9.016772
  Cl      1.276338     -6.637748      9.426212
  C      -1.250700     -5.694066      9.998398
  C      -0.936237     -5.594371     11.429768
  O      -0.055305     -6.225608     12.018289
  C      -1.709585     -4.602896     12.316176
  O      -2.391910     -3.669609     11.942332
  C      -2.521742     -5.335977      9.534662
  C      -2.906541     -5.447490      8.193741
  C      -4.279561     -5.278333      7.857597
  O      -4.762712     -5.275848      6.692585
  H      -4.496746     -2.308932      0.904760
  H      -5.782653      3.800789      3.746776
  H      -4.578562      0.621602      4.889711
  H      -3.970836     -0.907696      6.286412
  H      -6.185359     -3.130241      5.729598
  H     -10.552466      0.006261      1.455370
  H      -8.927441     -3.096665      1.639903
  H      -6.535177     -5.785952      1.597888
  H       0.038621     -6.755924      6.998572
  H      -1.492449     -4.797855     13.395434
  H      -3.264413     -4.978675     10.246985
  H      -4.997179     -5.209797      8.694297
  N      -1.760036     -3.948149      4.685953
  H      -1.577607     -3.103832      4.148122
  H      -0.948753     -4.199585      5.249515
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.842152520746
  N      -3.703120     -3.520438      3.148983
  C      -3.480559     -4.296564      1.926395
  C      -2.694500     -5.562667      2.243322
  N      -3.341537     -6.299775      3.370276
  C      -4.636883     -6.908973      2.907967
  C      -5.747786     -6.518097      3.870469
  N      -5.638367     -5.107485      4.205015
  Mo     -3.644775     -4.676793      4.921163
  N      -2.356998     -6.064106      5.924405
  C      -1.534326     -6.830129      4.995530
  C      -2.459324     -7.370936      3.925173
  H      -1.053538     -7.687699      5.491821
  H      -0.740411     -6.200209      4.559933
  H      -3.120364     -8.111928      4.393958
  H      -1.900803     -7.866489      3.114263
  H      -6.731960     -6.785936      3.456323
  H      -5.633672     -7.097748      4.806006
  H      -4.852800     -6.539205      1.898293
  H      -4.527168     -8.000507      2.835724
  H      -2.905535     -3.709864      1.192029
  H      -4.445016     -4.545312      1.447113
  H      -1.683320     -5.290456      2.570736
  H      -2.630380     -6.214491      1.356126
  C      -4.104427     -2.245175      3.034003
  C      -4.487866     -1.692892      1.773070
  C      -4.921412     -0.391944      1.634784
  Cl     -5.366964      0.113785      0.043475
  C      -4.966356      0.514545      2.742487
  C      -5.517992      1.873280      2.680224
  O      -6.283658      2.300029      1.815486
  C      -5.110348      2.922130      3.733093
  O      -4.127187      2.888751      4.445427
  C      -4.550367     -0.001254      3.968194
  C      -4.167521     -1.339561      4.169591
  C      -3.976934     -1.708432      5.529521
  O      -3.865807     -2.876087      6.003133
  C      -6.601759     -4.195550      3.899751
  C      -6.747027     -3.111250      4.812444
  C      -7.599724     -2.051745      4.598521
  Cl     -7.612026     -0.801210      5.804971
  C      -8.404660     -1.975178      3.425470
  C      -9.271779     -0.847176      3.075936
  O      -9.701022      0.015098      3.845348
  C      -9.637821     -0.600145      1.601115
  O      -8.929504     -0.861315      0.649792
  C      -8.334645     -3.080581      2.570312
  C      -7.489222     -4.179777      2.761306
  C      -7.471730     -5.147698      1.654012
  O      -8.343161     -5.243091      0.794470
  C      -1.988914     -5.963497      7.211966
  C      -0.718200     -6.386241      7.694948
  C      -0.363792     -6.245204      9.023381
  Cl      1.264322     -6.669148      9.429210
  C      -1.259695     -5.717431     10.007293
  C      -0.949762     -5.632493     11.440264
  O      -0.071662     -6.272640     12.024954
  C      -1.721875     -4.650213     12.335727
  O      -2.397952     -3.708119     11.970492
  C      -2.526198     -5.346135      9.541610
  C      -2.908470     -5.444350      8.198734
  C      -4.276897     -5.249753      7.861965
  O      -4.755280     -5.231899      6.694106
  H      -4.489770     -2.317943      0.884126
  H      -5.803978      3.798099      3.701977
  H      -4.580944      0.644061      4.844996
  H      -3.992948     -0.887157      6.264337
  H      -6.182661     -3.154389      5.740019
  H     -10.564286      0.018286      1.509447
  H      -8.941650     -3.094242      1.665152
  H      -6.568027     -5.789639      1.576606
  H       0.031894     -6.763301      7.003177
  H      -1.507630     -4.855292     13.413532
  H      -3.267342     -4.985292     10.254074
  H      -4.995813     -5.172142      8.696245
  N      -1.741430     -3.933099      4.694923
  H      -1.564861     -3.065057      4.193048
  H      -0.945776     -4.162392      5.290896
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.842553363434
  N      -3.706169     -3.507788      3.151247
  C      -3.481643     -4.288516      1.931621
  C      -2.692427     -5.551254      2.249344
  N      -3.339987     -6.292426      3.372510
  C      -4.634858     -6.900230      2.909413
  C      -5.740664     -6.518374      3.881334
  N      -5.638332     -5.106682      4.214326
  Mo     -3.636206     -4.668024      4.929947
  N      -2.358097     -6.063798      5.927265
  C      -1.535436     -6.828328      4.996902
  C      -2.457571     -7.365768      3.923921
  H      -1.055156     -7.686518      5.492145
  H      -0.742451     -6.194514      4.564719
  H      -3.118994     -8.110706      4.385807
  H      -1.897282     -7.854319      3.109998
  H      -6.727942     -6.790972      3.478408
  H      -5.610559     -7.098108      4.814683
  H      -4.855664     -6.520842      1.904595
  H      -4.520377     -7.990492      2.827085
  H      -2.909059     -3.700536      1.196650
  H      -4.446030     -4.542743      1.454683
  H      -1.682626     -5.277599      2.580218
  H      -2.625862     -6.202634      1.361856
  C      -4.106995     -2.234287      3.028108
  C      -4.489353     -1.687007      1.764237
  C      -4.918734     -0.385301      1.619173
  Cl     -5.361003      0.111978      0.023593
  C      -4.965056      0.527582      2.720793
  C      -5.511486      1.886822      2.652108
  O      -6.263233      2.319127      1.777522
  C      -5.117394      2.934498      3.711344
  O      -4.114583      2.924729      4.396287
  C      -4.555245      0.015225      3.950557
  C      -4.173703     -1.321991      4.158076
  C      -3.991945     -1.689063      5.518555
  O      -3.880147     -2.857594      5.988555
  C      -6.604555     -4.200381      3.904579
  C      -6.751341     -3.114012      4.815487
  C      -7.603848     -2.055364      4.599542
  Cl     -7.618953     -0.803566      5.805837
  C      -8.407583     -1.979993      3.426237
  C      -9.275667     -0.854583      3.074211
  O      -9.698151      0.014914      3.839345
  C      -9.630378     -0.602652      1.597262
  O      -8.932418     -0.894170      0.647133
  C      -8.338043     -3.087237      2.574084
  C      -7.494575     -4.188209      2.766262
  C      -7.488057     -5.160218      1.662820
  O      -8.358810     -5.244160      0.800904
  C      -1.988374     -5.969508      7.214814
  C      -0.719168     -6.400680      7.695310
  C      -0.363986     -6.270779      9.024535
  Cl      1.262272     -6.707069      9.426209
  C      -1.255765     -5.745406     10.012883
  C      -0.946333     -5.672473     11.445662
  O      -0.067340     -6.317343     12.024622
  C      -1.708537     -4.690678     12.349276
  O      -2.381929     -3.743402     11.992679
  C      -2.518959     -5.361194      9.548828
  C      -2.902484     -5.447382      8.205253
  C      -4.267391     -5.229470      7.871769
  O      -4.745942     -5.195204      6.704349
  H      -4.493591     -2.314581      0.877033
  H      -5.805561      3.813892      3.665921
  H      -4.589002      0.663236      4.825179
  H      -4.018006     -0.871642      6.257309
  H      -6.189489     -3.156087      5.744446
  H     -10.578828     -0.020455      1.493904
  H      -8.945662     -3.103534      1.669349
  H      -6.598273     -5.820382      1.589096
  H       0.029533     -6.776803      7.001779
  H      -1.499303     -4.908207     13.425470
  H      -3.256618     -4.997941     10.263568
  H      -4.986167     -5.143091      8.705023
  N      -1.727792     -3.925469      4.703332
  H      -1.565527     -3.030732      4.244705
  H      -0.950789     -4.136401      5.330568
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843120250110
  N      -3.714372     -3.489421      3.157964
  C      -3.491065     -4.275135      1.942453
  C      -2.699347     -5.534835      2.260036
  N      -3.345785     -6.282084      3.379017
  C      -4.643996     -6.882222      2.916248
  C      -5.741843     -6.510422      3.899781
  N      -5.645578     -5.099395      4.234225
  Mo     -3.630703     -4.656588      4.942840
  N      -2.357208     -6.063752      5.930979
  C      -1.539030     -6.826666      4.994854
  C      -2.464626     -7.359330      3.922839
  H      -1.059784     -7.686345      5.488077
  H      -0.746623     -6.191330      4.563931
  H      -3.126386     -8.106306      4.380882
  H      -1.908441     -7.842957      3.103211
  H      -6.732342     -6.785039      3.505281
  H      -5.598573     -7.092974      4.829486
  H      -4.870064     -6.487956      1.918804
  H      -4.528844     -7.971122      2.818819
  H      -2.919064     -3.688479      1.205650
  H      -4.455741     -4.531656      1.467285
  H      -1.690282     -5.261312      2.592641
  H      -2.633872     -6.183483      1.370067
  C      -4.116855     -2.218608      3.031708
  C      -4.496972     -1.672833      1.766364
  C      -4.920164     -0.369902      1.618346
  Cl     -5.355554      0.127484      0.020198
  C      -4.968173      0.545689      2.717063
  C      -5.505343      1.906942      2.646177
  O      -6.234030      2.352752      1.758906
  C      -5.119812      2.949224      3.714207
  O      -4.123224      2.936779      4.407360
  C      -4.565430      0.033089      3.949476
  C      -4.185449     -1.304024      4.159304
  C      -4.008494     -1.671675      5.518942
  O      -3.893463     -2.839885      5.987535
  C      -6.610319     -4.198954      3.911967
  C      -6.751238     -3.092715      4.800553
  C      -7.596016     -2.033836      4.560035
  Cl     -7.603915     -0.753818      5.737527
  C      -8.398915     -1.978945      3.385356
  C      -9.262513     -0.858649      3.009727
  O      -9.681623      0.029168      3.755708
  C      -9.634167     -0.645828      1.530537
  O      -8.932415     -0.934045      0.582807
  C      -8.338101     -3.106416      2.559242
  C      -7.502827     -4.208973      2.775931
  C      -7.512552     -5.215367      1.704038
  O      -8.380242     -5.307438      0.840273
  C      -1.982176     -5.977567      7.216804
  C      -0.713137     -6.417918      7.691215
  C      -0.353770     -6.299579      9.019646
  Cl      1.271091     -6.748835      9.415080
  C      -1.238454     -5.776624     10.014962
  C      -0.925220     -5.714833     11.446340
  O      -0.047426     -6.367474     12.018427
  C      -1.679260     -4.736369     12.360509
  O      -2.342377     -3.778443     12.015146
  C      -2.499738     -5.379792      9.556657
  C      -2.888162     -5.453871      8.213569
  C      -4.250673     -5.214405      7.887101
  O      -4.733885     -5.162572      6.723060
  H      -4.501309     -2.301773      0.880035
  H      -5.833561      3.808937      3.700296
  H      -4.601347      0.682082      4.823091
  H      -4.043020     -0.857451      6.261019
  H      -6.188883     -3.117885      5.729615
  H     -10.566633     -0.038855      1.425804
  H      -8.948546     -3.141422      1.657290
  H      -6.641966     -5.903953      1.658823
  H       0.031714     -6.792720      6.993213
  H      -1.462550     -4.961220     13.433548
  H      -3.232012     -5.015559     10.276018
  H      -4.967202     -5.120286      8.721359
  N      -1.719863     -3.921520      4.710728
  H      -1.579354     -2.999427      4.300849
  H      -0.964571     -4.115945      5.369300
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843273425440
  N      -3.712669     -3.484261      3.154224
  C      -3.488101     -4.274791      1.942980
  C      -2.697421     -5.533268      2.266147
  N      -3.346319     -6.280390      3.384156
  C      -4.646481     -6.875809      2.921569
  C      -5.738767     -6.510184      3.912988
  N      -5.649886     -5.097606      4.242611
  Mo     -3.628002     -4.650108      4.945428
  N      -2.355046     -6.060410      5.931350
  C      -1.537800     -6.823801      4.994074
  C      -2.466982     -7.358319      3.926555
  H      -1.057926     -7.681998      5.489088
  H      -0.746693     -6.188747      4.560847
  H      -3.128470     -8.103768      4.387523
  H      -1.914778     -7.843823      3.105359
  H      -6.730416     -6.793348      3.528189
  H      -5.583318     -7.089084      4.842956
  H      -4.876239     -6.471997      1.929012
  H      -4.532069     -7.963976      2.814502
  H      -2.912162     -3.692744      1.205182
  H      -4.451661     -4.530047      1.465378
  H      -1.689458     -5.259217      2.600891
  H      -2.630785     -6.181724      1.375896
  C      -4.114992     -2.214513      3.023993
  C      -4.489313     -1.671244      1.755953
  C      -4.906140     -0.367234      1.603252
  Cl     -5.334417      0.128890      0.002570
  C      -4.955155      0.551574      2.699785
  C      -5.482329      1.916211      2.624429
  O      -6.196048      2.370886      1.729652
  C      -5.120682      2.947772      3.710993
  O      -4.116266      2.951210      4.392617
  C      -4.560281      0.040318      3.935356
  C      -4.184777     -1.297423      4.149669
  C      -4.012729     -1.663767      5.509964
  O      -3.899317     -2.831796      5.980983
  C      -6.614735     -4.200099      3.914250
  C      -6.760205     -3.094551      4.803821
  C      -7.605587     -2.036810      4.562658
  Cl     -7.621368     -0.759732      5.743441
  C      -8.405269     -1.980980      3.385877
  C      -9.270059     -0.862410      3.008977
  O      -9.694432      0.023891      3.753887
  C      -9.660878     -0.663898      1.532878
  O      -8.962964     -0.942365      0.579618
  C      -8.340456     -3.107321      2.558400
  C      -7.505201     -4.209629      2.775343
  C      -7.516299     -5.214224      1.701095
  O      -8.382879     -5.300671      0.835814
  C      -1.977789     -5.977309      7.216627
  C      -0.708328     -6.420526      7.688150
  C      -0.347242     -6.307743      9.016190
  Cl      1.277486     -6.760197      9.409143
  C      -1.230048     -5.787191     10.014766
  C      -0.915954     -5.729014     11.446006
  O      -0.043857     -6.388582     12.018310
  C      -1.680196     -4.762403     12.364939
  O      -2.348694     -3.806800     12.024516
  C      -2.490821     -5.386014      9.559259
  C      -2.880641     -5.454434      8.216309
  C      -4.241880     -5.206188      7.891944
  O      -4.726565     -5.145664      6.729439
  H      -4.492195     -2.303248      0.871850
  H      -5.838376      3.804086      3.692389
  H      -4.597927      0.691550      4.807274
  H      -4.052794     -0.849430      6.251652
  H      -6.200956     -3.121126      5.734553
  H     -10.595144     -0.058233      1.436990
  H      -8.947928     -3.141259      1.654285
  H      -6.651177     -5.908997      1.656872
  H       0.035159     -6.793176      6.987605
  H      -1.472502     -4.999813     13.437094
  H      -3.221453     -5.022529     10.280747
  H      -4.957941     -5.110137      8.726444
  N      -1.716505     -3.917796      4.711635
  H      -1.599870     -2.973919      4.343734
  H      -0.985296     -4.091447      5.403257
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843239639183
  N      -3.708110     -3.478301      3.149511
  C      -3.479910     -4.274480      1.943892
  C      -2.693373     -5.532734      2.276715
  N      -3.348852     -6.278117      3.392994
  C      -4.651451     -6.865724      2.928910
  C      -5.737169     -6.508777      3.930265
  N      -5.659162     -5.093924      4.254217
  Mo     -3.628293     -4.641088      4.949231
  N      -2.353884     -6.054164      5.931367
  C      -1.537666     -6.818866      4.993039
  C      -2.473511     -7.357386      3.934127
  H      -1.056272     -7.674081      5.491497
  H      -0.748953     -6.184555      4.554982
  H      -3.134772     -8.098756      4.402140
  H      -1.928451     -7.848286      3.111289
  H      -6.729586     -6.804611      3.557785
  H      -5.566036     -7.082186      4.860740
  H      -4.885060     -6.446982      1.943764
  H      -4.539393     -7.952849      2.806883
  H      -2.895100     -3.699938      1.206498
  H      -4.440933     -4.525387      1.459591
  H      -1.687260     -5.258645      2.615965
  H      -2.623970     -6.180877      1.386136
  C      -4.111593     -2.209985      3.014572
  C      -4.477585     -1.670019      1.742868
  C      -4.887962     -0.365244      1.584436
  Cl     -5.308788      0.128906     -0.019009
  C      -4.941150      0.556758      2.679462
  C      -5.457242      1.925441      2.599228
  O      -6.131320      2.398644      1.683912
  C      -5.122074      2.945186      3.705326
  O      -4.132958      2.943091      4.409199
  C      -4.556731      0.047430      3.919065
  C      -4.185743     -1.290849      4.139013
  C      -4.020472     -1.656118      5.500190
  O      -3.909188     -2.824810      5.974094
  C      -6.622714     -4.199016      3.915352
  C      -6.772054     -3.092685      4.804610
  C      -7.615360     -2.034391      4.561124
  Cl     -7.638026     -0.759976      5.744694
  C      -8.410783     -1.976916      3.381166
  C      -9.275036     -0.859217      3.001031
  O      -9.685338      0.039439      3.739112
  C      -9.672900     -0.668686      1.525876
  O      -8.993049     -0.972669      0.567278
  C      -8.343109     -3.103312      2.553561
  C      -7.510978     -4.207236      2.772939
  C      -7.529684     -5.212329      1.697888
  O      -8.395883     -5.288651      0.831321
  C      -1.973824     -5.976072      7.216354
  C      -0.702835     -6.421200      7.683111
  C      -0.339420     -6.316889      9.010754
  Cl      1.285807     -6.771098      9.399753
  C      -1.220925     -5.802398     10.014585
  C      -0.904762     -5.750642     11.446140
  O      -0.031303     -6.410757     12.014790
  C      -1.671539     -4.788881     12.369627
  O      -2.335927     -3.829214     12.033371
  C      -2.482134     -5.397801      9.563673
  C      -2.873461     -5.457893      8.220840
  C      -4.233389     -5.201044      7.898840
  O      -4.719052     -5.128229      6.737932
  H      -4.476803     -2.306279      0.861808
  H      -5.881363      3.764963      3.730341
  H      -4.598577      0.701023      4.789244
  H      -4.068275     -0.841816      6.241372
  H      -6.216797     -3.121348      5.737554
  H     -10.630247     -0.099430      1.431591
  H      -8.946934     -3.135670      1.646715
  H      -6.674421     -5.918256      1.655166
  H       0.039403     -6.788469      6.978264
  H      -1.460986     -5.030527     13.440492
  H      -3.211719     -5.038269     10.288372
  H      -4.949398     -5.106342      8.733744
  N      -1.713936     -3.910356      4.716055
  H      -1.624742     -2.949608      4.380997
  H      -1.011214     -4.064439      5.442830
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843521433553
  N      -3.705329     -3.477843      3.153903
  C      -3.472993     -4.270354      1.946599
  C      -2.689011     -5.529920      2.280348
  N      -3.349149     -6.274688      3.394431
  C      -4.650204     -6.860750      2.926094
  C      -5.737735     -6.507983      3.927013
  N      -5.661977     -5.094017      4.255624
  Mo     -3.632509     -4.640545      4.952147
  N      -2.354899     -6.051466      5.931244
  C      -1.537818     -6.815155      4.992545
  C      -2.475377     -7.354901      3.935290
  H      -1.054738     -7.669515      5.490677
  H      -0.750722     -6.179524      4.553518
  H      -3.136571     -8.094900      4.405677
  H      -1.931478     -7.847757      3.112782
  H      -6.729267     -6.804959      3.552165
  H      -5.567243     -7.083041      4.856500
  H      -4.882484     -6.436834      1.942926
  H      -4.538742     -7.947463      2.798583
  H      -2.884341     -3.695096      1.212779
  H      -4.432324     -4.518512      1.457371
  H      -1.683884     -5.256124      2.622934
  H      -2.616582     -6.177045      1.389362
  C      -4.110608     -2.209345      3.019926
  C      -4.473028     -1.668013      1.747887
  C      -4.884755     -0.363608      1.589925
  Cl     -5.301272      0.132123     -0.013873
  C      -4.943820      0.556245      2.687077
  C      -5.462402      1.924727      2.606156
  O      -6.119263      2.402501      1.680808
  C      -5.135974      2.943836      3.715361
  O      -4.131526      2.963357      4.397301
  C      -4.563978      0.045238      3.927255
  C      -4.191026     -1.292762      4.146087
  C      -4.028544     -1.660454      5.506773
  O      -3.916008     -2.830786      5.978089
  C      -6.624693     -4.199018      3.913925
  C      -6.769882     -3.086707      4.796430
  C      -7.612058     -2.028324      4.548908
  Cl     -7.628093     -0.746506      5.724188
  C      -8.411956     -1.977506      3.371088
  C      -9.278383     -0.861557      2.989103
  O      -9.668519      0.050968      3.721277
  C      -9.675672     -0.672965      1.513623
  O      -8.985859     -0.958065      0.556138
  C      -8.349345     -3.110494      2.551685
  C      -7.517992     -4.214054      2.776153
  C      -7.548792     -5.231912      1.712971
  O      -8.418026     -5.310255      0.849551
  C      -1.975468     -5.976198      7.217161
  C      -0.702962     -6.417977      7.682583
  C      -0.340138     -6.316881      9.010770
  Cl      1.286052     -6.766853      9.399111
  C      -1.224182     -5.809054     10.016136
  C      -0.907022     -5.762483     11.448437
  O      -0.020644     -6.411077     12.009880
  C      -1.658298     -4.787550     12.371550
  O      -2.314749     -3.822736     12.034023
  C      -2.487041     -5.408156      9.566536
  C      -2.877255     -5.465194      8.223261
  C      -4.237836     -5.212868      7.900427
  O      -4.721424     -5.137347      6.738771
  H      -4.467677     -2.303229      0.866081
  H      -5.885494      3.772915      3.721003
  H      -4.610750      0.696592      4.798717
  H      -4.078737     -0.847642      6.249193
  H      -6.211189     -3.110240      5.727611
  H     -10.618476     -0.079531      1.421106
  H      -8.958745     -3.149836      1.649119
  H      -6.697906     -5.943582      1.674736
  H       0.040868     -6.779780      6.976504
  H      -1.438625     -5.022165     13.442234
  H      -3.218712     -5.054482     10.291860
  H      -4.954954     -5.125235      8.735217
  N      -1.716645     -3.904226      4.724794
  H      -1.616228     -2.957273      4.354828
  H      -1.002573     -4.071055      5.438188
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843604598555
  N      -3.704688     -3.480057      3.156409
  C      -3.477374     -4.271675      1.947232
  C      -2.695375     -5.532847      2.278920
  N      -3.354467     -6.272224      3.396540
  C      -4.656857     -6.856502      2.931705
  C      -5.741765     -6.501097      3.933657
  N      -5.662204     -5.087937      4.262444
  Mo     -3.631632     -4.638096      4.955107
  N      -2.352723     -6.049320      5.932922
  C      -1.540210     -6.815135      4.991975
  C      -2.482709     -7.354287      3.937558
  H      -1.056013     -7.670239      5.487611
  H      -0.754272     -6.180558      4.549490
  H      -3.144961     -8.090671      4.412135
  H      -1.942169     -7.851669      3.115563
  H      -6.734200     -6.796866      3.559734
  H      -5.571994     -7.076078      4.863326
  H      -4.890531     -6.432818      1.948677
  H      -4.548561     -7.943542      2.804303
  H      -2.890495     -3.697090      1.211649
  H      -4.438966     -4.518106      1.460930
  H      -1.688700     -5.260139      2.618347
  H      -2.626078     -6.182496      1.389743
  C      -4.108443     -2.210330      3.022422
  C      -4.474156     -1.669952      1.750891
  C      -4.887169     -0.365815      1.592466
  Cl     -5.309424      0.126915     -0.010299
  C      -4.943891      0.554346      2.689283
  C      -5.464560      1.922153      2.608500
  O      -6.125844      2.398640      1.685831
  C      -5.159008      2.936607      3.727447
  O      -4.155353      2.966938      4.410252
  C      -4.561888      0.044073      3.928781
  C      -4.187116     -1.293367      4.147651
  C      -4.022634     -1.659690      5.508077
  O      -3.910058     -2.829311      5.980681
  C      -6.621079     -4.191236      3.916011
  C      -6.764760     -3.074437      4.792907
  C      -7.603958     -2.015106      4.539568
  Cl     -7.619766     -0.729139      5.709976
  C      -8.400420     -1.967242      3.359136
  C      -9.261289     -0.849994      2.969318
  O      -9.661053      0.061198      3.697855
  C      -9.674640     -0.679148      1.496298
  O      -8.989719     -0.964809      0.535501
  C      -8.340172     -3.104695      2.545974
  C      -7.512330     -4.209525      2.777452
  C      -7.541459     -5.232257      1.718873
  O      -8.408658     -5.314068      0.853746
  C      -1.970844     -5.974201      7.218315
  C      -0.697652     -6.415622      7.681697
  C      -0.332476     -6.313712      9.009408
  Cl      1.294453     -6.762304      9.394658
  C      -1.215271     -5.805727     10.015543
  C      -0.895807     -5.759538     11.447407
  O      -0.020118     -6.420391     12.010858
  C      -1.659060     -4.798781     12.375482
  O      -2.323224     -3.837624     12.042833
  C      -2.479139     -5.405998      9.568259
  C      -2.871391     -5.463334      8.225598
  C      -4.233211     -5.214436      7.904464
  O      -4.717808     -5.140391      6.743096
  H      -4.471061     -2.306183      0.869938
  H      -5.920324      3.754574      3.737321
  H      -4.607216      0.695668      4.800010
  H      -4.070185     -0.845358      6.248787
  H      -6.208308     -3.095754      5.725566
  H     -10.623914     -0.095732      1.406904
  H      -8.947741     -3.146406      1.642435
  H      -6.691558     -5.945521      1.687844
  H       0.045257     -6.776989      6.974608
  H      -1.455496     -5.050096     13.445454
  H      -3.209976     -5.052707     10.294510
  H      -4.948681     -5.129935      8.740910
  N      -1.716296     -3.904318      4.724240
  H      -1.606418     -2.969834      4.330589
  H      -0.994404     -4.075522      5.426847
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843662696555
  N      -3.704725     -3.480051      3.157719
  C      -3.477730     -4.271057      1.947955
  C      -2.697551     -5.533066      2.280212
  N      -3.357924     -6.269072      3.398932
  C      -4.661250     -6.851041      2.935403
  C      -5.743119     -6.498346      3.941231
  N      -5.666087     -5.085226      4.269832
  Mo     -3.632077     -4.634682      4.958629
  N      -2.351890     -6.047265      5.934155
  C      -1.541996     -6.813375      4.991031
  C      -2.488580     -7.352840      3.940176
  H      -1.055612     -7.668247      5.484872
  H      -0.758414     -6.178197      4.545382
  H      -3.151688     -8.085837      4.418831
  H      -1.951442     -7.854404      3.118466
  H      -6.736081     -6.797924      3.571685
  H      -5.568276     -7.072328      4.870609
  H      -4.897422     -6.422878      1.954939
  H      -4.554442     -7.937690      2.802795
  H      -2.889970     -3.697107      1.212594
  H      -4.439511     -4.515824      1.460924
  H      -1.690791     -5.260578      2.619857
  H      -2.628190     -6.184301      1.392277
  C      -4.108255     -2.209799      3.022672
  C      -4.473126     -1.670105      1.750559
  C      -4.886000     -0.365993      1.590598
  Cl     -5.308845      0.124074     -0.012536
  C      -4.944348      0.554405      2.687309
  C      -5.464841      1.922215      2.606267
  O      -6.106209      2.407398      1.674171
  C      -5.180732      2.930397      3.736117
  O      -4.175270      2.974236      4.415800
  C      -4.564130      0.044458      3.927342
  C      -4.188439     -1.292547      4.147161
  C      -4.026306     -1.658514      5.507676
  O      -3.914056     -2.828106      5.980729
  C      -6.622913     -4.189136      3.917350
  C      -6.766198     -3.068651      4.790092
  C      -7.601938     -2.008016      4.532027
  Cl     -7.618066     -0.719496      5.699508
  C      -8.395162     -1.961734      3.349084
  C      -9.250555     -0.843344      2.951880
  O      -9.641605      0.078231      3.672149
  C      -9.666889     -0.682263      1.478847
  O      -8.982848     -0.972636      0.518780
  C      -8.336430     -3.102382      2.540521
  C      -7.513014     -4.209444      2.777670
  C      -7.546033     -5.236248      1.722806
  O      -8.411243     -5.314692      0.855274
  C      -1.968295     -5.974552      7.219291
  C      -0.694520     -6.416627      7.680257
  C      -0.327994     -6.317869      9.007935
  Cl      1.299574     -6.765781      9.390297
  C      -1.210270     -5.812906     10.016036
  C      -0.889598     -5.771845     11.447966
  O      -0.012423     -6.433317     12.008062
  C      -1.650755     -4.812277     12.379228
  O      -2.301879     -3.841417     12.049175
  C      -2.474505     -5.412059      9.571118
  C      -2.867871     -5.466148      8.228620
  C      -4.230243     -5.217919      7.908841
  O      -4.714822     -5.140801      6.747731
  H      -4.469814     -2.307395      0.870410
  H      -5.954979      3.735905      3.752020
  H      -4.610534      0.696223      4.798435
  H      -4.076661     -0.844045      6.247970
  H      -6.212079     -3.088915      5.724162
  H     -10.619488     -0.104535      1.387326
  H      -8.941733     -3.145034      1.635401
  H      -6.702174     -5.956544      1.697664
  H       0.047967     -6.775555      6.971436
  H      -1.433710     -5.057412     13.447988
  H      -3.205022     -5.060841     10.298737
  H      -4.945190     -5.137527      8.746162
  N      -1.717603     -3.901402      4.727602
  H      -1.615296     -2.962579      4.344534
  H      -1.005524     -4.062668      5.441395
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843672069211
  N      -3.703353     -3.481174      3.158435
  C      -3.474728     -4.270892      1.947978
  C      -2.700164     -5.535320      2.283922
  N      -3.365138     -6.262036      3.405027
  C      -4.670793     -6.838554      2.944119
  C      -5.746312     -6.492868      3.959149
  N      -5.678178     -5.079280      4.287485
  Mo     -3.634762     -4.625691      4.965694
  N      -2.348944     -6.040225      5.936164
  C      -1.545396     -6.807343      4.988329
  C      -2.502473     -7.349494      3.948703
  H      -1.052258     -7.660234      5.478842
  H      -0.768941     -6.170344      4.533020
  H      -3.167866     -8.072255      4.439736
  H      -1.974966     -7.863630      3.128448
  H      -6.740028     -6.803217      3.600489
  H      -5.558527     -7.063885      4.887940
  H      -4.912854     -6.399223      1.970164
  H      -4.567114     -7.924064      2.798340
  H      -2.882698     -3.698653      1.214742
  H      -4.435832     -4.511031      1.456819
  H      -1.693550     -5.263512      2.625321
  H      -2.629619     -6.191377      1.399818
  C      -4.105253     -2.209320      3.020991
  C      -4.465131     -1.669952      1.747214
  C      -4.874990     -0.365018      1.583372
  Cl     -5.297014      0.119146     -0.021049
  C      -4.937688      0.555422      2.680301
  C      -5.454090      1.924364      2.599386
  O      -6.032299      2.438654      1.641919
  C      -5.229435      2.913174      3.758401
  O      -4.226791      2.987197      4.440569
  C      -4.564508      0.044901      3.922007
  C      -4.188845     -1.291669      4.144309
  C      -4.035107     -1.657018      5.505540
  O      -3.926052     -2.826912      5.979791
  C      -6.631485     -4.185960      3.921111
  C      -6.773939     -3.057408      4.785041
  C      -7.601550     -1.993654      4.517095
  Cl     -7.618585     -0.700494      5.679252
  C      -8.388069     -1.950688      3.328832
  C      -9.229527     -0.829393      2.914267
  O      -9.588336      0.123319      3.610945
  C      -9.652530     -0.690185      1.441520
  O      -8.968580     -0.988578      0.483608
  C      -8.334016     -3.098811      2.531042
  C      -7.521164     -4.211391      2.780290
  C      -7.568483     -5.248993      1.735721
  O      -8.430284     -5.317480      0.863626
  C      -1.960731     -5.972351      7.220221
  C      -0.684505     -6.414134      7.674376
  C      -0.313846     -6.321937      9.001602
  Cl      1.316243     -6.765798      9.375979
  C      -1.195061     -5.825669     10.014934
  C      -0.871227     -5.795820     11.446688
  O       0.018494     -6.447885     11.997110
  C      -1.619797     -4.829854     12.382346
  O      -2.280739     -3.865173     12.054015
  C      -2.460965     -5.423671      9.576685
  C      -2.858118     -5.471094      8.234983
  C      -4.222518     -5.227706      7.919004
  O      -4.707168     -5.144462      6.758512
  H      -4.461126     -2.309548      0.868756
  H      -6.043588      3.677186      3.797372
  H      -4.613195      0.697056      4.792912
  H      -4.093199     -0.842466      6.245035
  H      -6.224764     -3.075926      5.722077
  H     -10.609678     -0.120558      1.345310
  H      -8.935400     -3.143647      1.623083
  H      -6.741648     -5.988266      1.723765
  H       0.056736     -6.766592      6.960747
  H      -1.420069     -5.090730     13.450892
  H      -3.190648     -5.078138     10.308139
  H      -4.936326     -5.159053      8.758446
  N      -1.721763     -3.892100      4.735789
  H      -1.638025     -2.943218      4.377030
  H      -1.032782     -4.032265      5.474565
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843786030520
  N      -3.703416     -3.482562      3.158399
  C      -3.471919     -4.271435      1.948205
  C      -2.698597     -5.536460      2.285465
  N      -3.365561     -6.263337      3.405074
  C      -4.670976     -6.840275      2.942393
  C      -5.748765     -6.494441      3.955966
  N      -5.681665     -5.080531      4.285395
  Mo     -3.638647     -4.626852      4.964900
  N      -2.350246     -6.039553      5.935376
  C      -1.546417     -6.806643      4.988329
  C      -2.503384     -7.350393      3.950397
  H      -1.051980     -7.658083      5.479993
  H      -0.771042     -6.169026      4.531642
  H      -3.169326     -8.071779      4.442707
  H      -1.976621     -7.865807      3.130500
  H      -6.742157     -6.803690      3.595492
  H      -5.562661     -7.066162      4.884649
  H      -4.911873     -6.401572      1.967894
  H      -4.566256     -7.925725      2.797294
  H      -2.877787     -3.698021      1.217710
  H      -4.431728     -4.511176      1.454577
  H      -1.692242     -5.265584      2.628403
  H      -2.627128     -6.192630      1.401566
  C      -4.103493     -2.210380      3.022018
  C      -4.460268     -1.668700      1.748477
  C      -4.866350     -0.362450      1.585358
  Cl     -5.286810      0.123777     -0.018928
  C      -4.928217      0.557103      2.682787
  C      -5.438743      1.927733      2.602192
  O      -6.011928      2.446343      1.643815
  C      -5.229898      2.910130      3.769327
  O      -4.232103      2.986898      4.458405
  C      -4.558960      0.044090      3.924865
  C      -4.186420     -1.293457      4.146509
  C      -4.035446     -1.659899      5.508050
  O      -3.929514     -2.830809      5.980893
  C      -6.635603     -4.187632      3.919597
  C      -6.779203     -3.060312      4.784972
  C      -7.606192     -1.996124      4.516903
  Cl     -7.626004     -0.704704      5.681081
  C      -8.391387     -1.952007      3.327965
  C      -9.230237     -0.829170      2.912823
  O      -9.585845      0.125604      3.608570
  C      -9.656960     -0.690564      1.441022
  O      -8.972857     -0.984981      0.481901
  C      -8.338359     -3.100452      2.530293
  C      -7.525664     -4.213273      2.779046
  C      -7.575367     -5.252507      1.736447
  O      -8.437916     -5.321294      0.865135
  C      -1.961765     -5.969992      7.218902
  C      -0.684278     -6.409110      7.672307
  C      -0.312525     -6.314458      8.998967
  Cl      1.318779     -6.755659      9.372190
  C      -1.193376     -5.817957     10.012445
  C      -0.868102     -5.783748     11.443514
  O       0.015051     -6.442022     11.997348
  C      -1.626622     -4.827106     12.380661
  O      -2.279741     -3.856505     12.054260
  C      -2.460894     -5.419873      9.575098
  C      -2.859508     -5.469606      8.233933
  C      -4.224695     -5.229987      7.918702
  O      -4.709703     -5.149505      6.758205
  H      -4.456874     -2.307068      0.869076
  H      -6.050232      3.667366      3.809144
  H      -4.606908      0.695794      4.796112
  H      -4.093153     -0.846446      6.248756
  H      -6.231396     -3.080059      5.722825
  H     -10.614852     -0.122138      1.346435
  H      -8.940639     -3.145586      1.623102
  H      -6.750102     -5.993706      1.725412
  H       0.056665     -6.761548      6.958376
  H      -1.418898     -5.083715     13.448645
  H      -3.190405     -5.075055     10.307012
  H      -4.938588     -5.162017      8.758082
  N      -1.723656     -3.890710      4.737707
  H      -1.626813     -2.951509      4.352704
  H      -1.020294     -4.044169      5.462392
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843818781511
  N      -3.709470     -3.483768      3.163109
  C      -3.479580     -4.270775      1.951298
  C      -2.705056     -5.535477      2.285282
  N      -3.370009     -6.263108      3.405275
  C      -4.676269     -6.840653      2.944842
  C      -5.752152     -6.495376      3.960298
  N      -5.684229     -5.081685      4.289039
  Mo     -3.640103     -4.628386      4.968373
  N      -2.351097     -6.042599      5.937040
  C      -1.548752     -6.807587      4.987400
  C      -2.506789     -7.350427      3.949529
  H      -1.052225     -7.659385      5.476243
  H      -0.774990     -6.168210      4.530285
  H      -3.172866     -8.072028      4.441311
  H      -1.980719     -7.864943      3.128629
  H      -6.746273     -6.803778      3.601554
  H      -5.564540     -7.067478      4.888395
  H      -4.919195     -6.403106      1.970156
  H      -4.570819     -7.926054      2.800577
  H      -2.888208     -3.694525      1.220986
  H      -4.440264     -4.511653      1.460030
  H      -1.697944     -5.265120      2.626418
  H      -2.635201     -6.191384      1.401097
  C      -4.108632     -2.211409      3.027343
  C      -4.465998     -1.669366      1.754238
  C      -4.870898     -0.362659      1.591059
  Cl     -5.292837      0.123261     -0.013002
  C      -4.932408      0.557006      2.688005
  C      -5.440367      1.928001      2.606598
  O      -6.001235      2.451096      1.643069
  C      -5.244693      2.907598      3.777844
  O      -4.247853      2.992711      4.467531
  C      -4.564342      0.043176      3.930375
  C      -4.191652     -1.294295      4.151531
  C      -4.040806     -1.661023      5.512988
  O      -3.934124     -2.832251      5.984478
  C      -6.636332     -4.188560      3.920309
  C      -6.780454     -3.059973      4.784114
  C      -7.602949     -1.993660      4.511151
  Cl     -7.626058     -0.701657      5.674737
  C      -8.382411     -1.948400      3.318582
  C      -9.212945     -0.822070      2.896899
  O      -9.570573      0.134572      3.589251
  C      -9.644062     -0.690328      1.425775
  O      -8.958748     -0.982931      0.466876
  C      -8.330354     -3.098474      2.523121
  C      -7.521815     -4.213446      2.775969
  C      -7.568150     -5.252446      1.733217
  O      -8.426014     -5.319218      0.857108
  C      -1.960978     -5.972568      7.219870
  C      -0.683006     -6.411826      7.671983
  C      -0.309353     -6.315657      8.997944
  Cl      1.322329     -6.757673      9.369360
  C      -1.188198     -5.817556     10.012142
  C      -0.860889     -5.782450     11.442478
  O       0.022982     -6.441061     11.995128
  C      -1.616337     -4.824907     12.380857
  O      -2.265667     -3.851293     12.055780
  C      -2.456338     -5.419705      9.576160
  C      -2.857216     -5.470602      8.235717
  C      -4.222956     -5.231284      7.922592
  O      -4.709855     -5.152836      6.762823
  H      -4.464537     -2.307150      0.874391
  H      -6.068544      3.661001      3.814364
  H      -4.611671      0.694920      4.801501
  H      -4.098301     -0.848324      6.254509
  H      -6.236845     -3.080309      5.724402
  H     -10.603854     -0.125568      1.330114
  H      -8.928867     -3.143130      1.613540
  H      -6.744953     -5.996111      1.726464
  H       0.056747     -6.765586      6.957622
  H      -1.406207     -5.080714     13.448461
  H      -3.184392     -5.073782     10.308858
  H      -4.935563     -5.161917      8.762903
  N      -1.726045     -3.892823      4.739705
  H      -1.623744     -2.956591      4.348028
  H      -1.017942     -4.047116      5.460132
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843848936601
  N      -3.713590     -3.486352      3.164914
  C      -3.482401     -4.271318      1.951929
  C      -2.707573     -5.535779      2.284908
  N      -3.372385     -6.263252      3.404530
  C      -4.678994     -6.840700      2.944471
  C      -5.754767     -6.497237      3.960880
  N      -5.689138     -5.083805      4.291105
  Mo     -3.642901     -4.629493      4.969553
  N      -2.350926     -6.044237      5.937331
  C      -1.550084     -6.807678      4.985534
  C      -2.509644     -7.350857      3.949465
  H      -1.050598     -7.658949      5.472285
  H      -0.778712     -6.166713      4.526538
  H      -3.176648     -8.070619      4.442663
  H      -1.985341     -7.867005      3.128436
  H      -6.748909     -6.806101      3.602568
  H      -5.566111     -7.070185      4.888153
  H      -4.922392     -6.402979      1.969988
  H      -4.572575     -7.925929      2.799592
  H      -2.891455     -3.692447      1.223509
  H      -4.442674     -4.512669      1.460186
  H      -1.700224     -5.266012      2.625787
  H      -2.637869     -6.191909      1.400868
  C      -4.109927     -2.212964      3.029796
  C      -4.464008     -1.669082      1.756694
  C      -4.864145     -0.360862      1.592993
  Cl     -5.284603      0.125254     -0.011411
  C      -4.925975      0.558411      2.690113
  C      -5.425366      1.931819      2.608421
  O      -5.957838      2.468483      1.635905
  C      -5.265206      2.899385      3.794016
  O      -4.276851      2.996130      4.494760
  C      -4.563942      0.041813      3.933467
  C      -4.193928     -1.296275      4.154349
  C      -4.047127     -1.663917      5.516139
  O      -3.942424     -2.835811      5.986429
  C      -6.640859     -4.191330      3.921010
  C      -6.783906     -3.061623      4.783932
  C      -7.601827     -1.992796      4.507870
  Cl     -7.625290     -0.700411      5.671090
  C      -8.378137     -1.946185      3.313176
  C      -9.198626     -0.815477      2.884934
  O      -9.539145      0.154362      3.567866
  C      -9.634603     -0.690513      1.414881
  O      -8.948359     -0.982167      0.456170
  C      -8.330177     -3.098610      2.520735
  C      -7.526405     -4.216422      2.776378
  C      -7.578806     -5.259026      1.737686
  O      -8.435154     -5.322018      0.859773
  C      -1.959169     -5.972739      7.219263
  C      -0.680090     -6.410575      7.669989
  C      -0.304434     -6.311947      8.995108
  Cl      1.328458     -6.752030      9.364542
  C      -1.181907     -5.812904     10.009917
  C      -0.853026     -5.775038     11.439546
  O       0.031211     -6.432857     11.992768
  C      -1.611335     -4.820435     12.378385
  O      -2.261718     -3.847450     12.053559
  C      -2.451232     -5.417062      9.575410
  C      -2.854603     -5.470436      8.235858
  C      -4.221521     -5.235008      7.924624
  O      -4.710377     -5.160370      6.765518
  H      -4.464649     -2.306095      0.876281
  H      -6.102427      3.637792      3.829197
  H      -4.611245      0.693415      4.804700
  H      -4.106128     -0.852228      6.258570
  H      -6.241831     -3.082799      5.725143
  H     -10.594489     -0.126350      1.318158
  H      -8.927991     -3.143207      1.610684
  H      -6.762839     -6.010601      1.735932
  H       0.058673     -6.765025      6.954994
  H      -1.404123     -5.078151     13.446043
  H      -3.178264     -5.070797     10.308994
  H      -4.933137     -5.165980      8.765825
  N      -1.730569     -3.892383      4.742120
  H      -1.625614     -2.956944      4.349465
  H      -1.020735     -4.044615      5.461203
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843875015070
  N      -3.721605     -3.490148      3.168878
  C      -3.488303     -4.272484      1.954485
  C      -2.713660     -5.537191      2.286649
  N      -3.378363     -6.265350      3.405304
  C      -4.685270     -6.842804      2.945123
  C      -5.761119     -6.502396      3.963014
  N      -5.700092     -5.088666      4.294141
  Mo     -3.651643     -4.632264      4.971491
  N      -2.352946     -6.046532      5.936664
  C      -1.553794     -6.808156      4.982460
  C      -2.515773     -7.352816      3.950468
  H      -1.050175     -7.657940      5.467678
  H      -0.785637     -6.165628      4.520185
  H      -3.183132     -8.070155      4.446722
  H      -1.994705     -7.871324      3.128836
  H      -6.754873     -6.813273      3.605488
  H      -5.570450     -7.075473      4.889675
  H      -4.929404     -6.404307      1.971239
  H      -4.577198     -7.927791      2.799123
  H      -2.896119     -3.691134      1.229178
  H      -4.447696     -4.512972      1.460819
  H      -1.705872     -5.268814      2.627123
  H      -2.644489     -6.192567      1.401891
  C      -4.112710     -2.214696      3.036215
  C      -4.461298     -1.666313      1.763735
  C      -4.851826     -0.355045      1.600852
  Cl     -5.270820      0.133826     -0.003172
  C      -4.912107      0.562647      2.699502
  C      -5.393791      1.941571      2.618833
  O      -5.870548      2.504445      1.631847
  C      -5.281102      2.890419      3.823408
  O      -4.307535      2.996745      4.543949
  C      -4.560307      0.039895      3.943740
  C      -4.196932     -1.300029      4.162914
  C      -4.056620     -1.670745      5.524872
  O      -3.957148     -2.844502      5.992274
  C      -6.650620     -4.197009      3.920143
  C      -6.796995     -3.067787      4.783634
  C      -7.608458     -1.995747      4.502123
  Cl     -7.639298     -0.706082      5.668171
  C      -8.375528     -1.945540      3.301316
  C      -9.180770     -0.808840      2.862175
  O      -9.499420      0.178751      3.530576
  C      -9.628776     -0.697661      1.395211
  O      -8.944623     -0.989754      0.434809
  C      -8.328806     -3.099584      2.510873
  C      -7.531556     -4.220799      2.771406
  C      -7.586283     -5.265596      1.735011
  O      -8.437603     -5.323056      0.851807
  C      -1.958095     -5.972154      7.216974
  C      -0.676615     -6.406590      7.664662
  C      -0.297119     -6.303840      8.988170
  Cl      1.337969     -6.739900      9.354096
  C      -1.172338     -5.804040     10.004553
  C      -0.839561     -5.760573     11.432881
  O       0.051778     -6.409754     11.985002
  C      -1.597011     -4.804195     12.370544
  O      -2.249093     -3.833017     12.043777
  C      -2.444255     -5.412751      9.573195
  C      -2.852201     -5.470822      8.235334
  C      -4.221281     -5.242790      7.927734
  O      -4.714277     -5.174526      6.770042
  H      -4.466638     -2.301517      0.882035
  H      -6.134452      3.610067      3.855671
  H      -4.606655      0.690502      4.815821
  H      -4.117512     -0.861414      6.269539
  H      -6.261671     -3.092112      5.728606
  H     -10.592870     -0.140838      1.299167
  H      -8.921351     -3.142503      1.597161
  H      -6.778437     -6.025759      1.740596
  H       0.060283     -6.761635      6.947986
  H      -1.389759     -5.059549     13.438720
  H      -3.169723     -5.066961     10.308631
  H      -4.930919     -5.174547      8.770752
  N      -1.741178     -3.890570      4.747739
  H      -1.631254     -2.957198      4.351211
  H      -1.025626     -4.045210      5.460711
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843888362124
  N      -3.724450     -3.490104      3.170863
  C      -3.492007     -4.272365      1.956059
  C      -2.716324     -5.536675      2.286848
  N      -3.379709     -6.266632      3.405402
  C      -4.686408     -6.844585      2.945646
  C      -5.761472     -6.504687      3.964133
  N      -5.700328     -5.090943      4.294559
  Mo     -3.652123     -4.633709      4.971999
  N      -2.353461     -6.048427      5.936092
  C      -1.553788     -6.809187      4.981577
  C      -2.515424     -7.353615      3.948757
  H      -1.050367     -7.659250      5.466580
  H      -0.785101     -6.166569      4.520359
  H      -3.181575     -8.072978      4.443705
  H      -1.993637     -7.869885      3.126168
  H      -6.755313     -6.815937      3.607229
  H      -5.569832     -7.077337      4.890802
  H      -4.930912     -6.406326      1.971779
  H      -4.578038     -7.929618      2.800087
  H      -2.900665     -3.691005      1.230045
  H      -4.451821     -4.513058      1.463399
  H      -1.708241     -5.268277      2.626293
  H      -2.647876     -6.190532      1.400815
  C      -4.114655     -2.214360      3.038146
  C      -4.463166     -1.666075      1.765612
  C      -4.851977     -0.354387      1.602500
  Cl     -5.273040      0.134282     -0.001148
  C      -4.911403      0.563715      2.700988
  C      -5.387909      1.944434      2.618963
  O      -5.854330      2.510879      1.629064
  C      -5.287432      2.889567      3.827189
  O      -4.320813      2.994954      4.557274
  C      -4.562168      0.040221      3.945674
  C      -4.199732     -1.299861      4.164830
  C      -4.060332     -1.671528      5.526528
  O      -3.960637     -2.845716      5.992886
  C      -6.650342     -4.198821      3.920258
  C      -6.795942     -3.069061      4.783144
  C      -7.605487     -1.995928      4.500261
  Cl     -7.636115     -0.705956      5.665883
  C      -8.371634     -1.945088      3.298821
  C      -9.174515     -0.807125      2.858626
  O      -9.484613      0.185222      3.524019
  C      -9.624117     -0.697015      1.392318
  O      -8.940429     -0.988110      0.431192
  C      -8.326332     -3.099889      2.509307
  C      -7.530860     -4.221972      2.771078
  C      -7.587316     -5.267470      1.735316
  O      -8.437990     -5.323141      0.851370
  C      -1.957902     -5.973067      7.216223
  C      -0.676412     -6.407541      7.663797
  C      -0.296226     -6.303786      8.987011
  Cl      1.338642     -6.740737      9.352708
  C      -1.170738     -5.802611     10.003497
  C      -0.837228     -5.757406     11.431738
  O       0.054776     -6.405367     11.984143
  C      -1.595594     -4.801376     12.369027
  O      -2.248002     -3.830400     12.042201
  C      -2.442749     -5.411396      9.572187
  C      -2.851230     -5.470578      8.234582
  C      -4.220270     -5.241543      7.927762
  O      -4.714966     -5.174717      6.770644
  H      -4.470573     -2.301504      0.884079
  H      -6.142779      3.607086      3.854750
  H      -4.609034      0.690833      4.817730
  H      -4.122141     -0.862901      6.271864
  H      -6.261439     -3.093720      5.728536
  H     -10.589125     -0.141618      1.296882
  H      -8.918313     -3.142702      1.595245
  H      -6.781734     -6.029887      1.742095
  H       0.059963     -6.763663      6.947100
  H      -1.389651     -5.057538     13.437284
  H      -3.167744     -5.064747     10.307667
  H      -4.928968     -5.170971      8.771406
  N      -1.742680     -3.890864      4.748834
  H      -1.632845     -2.956435      4.354754
  H      -1.026540     -4.045785      5.461121
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843898282338
  N      -3.726325     -3.489573      3.172284
  C      -3.494515     -4.272023      1.957302
  C      -2.717561     -5.535994      2.286813
  N      -3.379602     -6.268869      3.404694
  C      -4.685303     -6.847638      2.944003
  C      -5.760931     -6.508092      3.961718
  N      -5.699753     -5.094505      4.292542
  Mo     -3.652936     -4.635951      4.970728
  N      -2.354378     -6.050514      5.934011
  C      -1.552992     -6.810804      4.980418
  C      -2.513038     -7.355002      3.945614
  H      -1.051101     -7.661332      5.466291
  H      -0.782462     -6.168818      4.521462
  H      -3.177189     -8.077715      4.438340
  H      -1.989357     -7.867809      3.122067
  H      -6.754418     -6.819688      3.603885
  H      -5.569635     -7.080546      4.888526
  H      -4.928949     -6.409553      1.969916
  H      -4.576680     -7.932740      2.799031
  H      -2.903472     -3.691486      1.230298
  H      -4.454640     -4.512558      1.465176
  H      -1.709416     -5.267221      2.625644
  H      -2.649292     -6.187435      1.398890
  C      -4.114537     -2.213161      3.039843
  C      -4.462098     -1.664214      1.767317
  C      -4.847866     -0.351681      1.604538
  Cl     -5.272291      0.137350      0.001827
  C      -4.905025      0.566505      2.703351
  C      -5.372738      1.950411      2.619598
  O      -5.820461      2.523111      1.624708
  C      -5.283664      2.891498      3.831589
  O      -4.325761      2.992656      4.573756
  C      -4.559943      0.041168      3.948373
  C      -4.200235     -1.299637      4.167083
  C      -4.063389     -1.673466      5.528347
  O      -3.964681     -2.848320      5.993228
  C      -6.649788     -4.201692      3.919595
  C      -6.795191     -3.072608      4.783219
  C      -7.603985     -1.998780      4.500668
  Cl     -7.634821     -0.710072      5.667506
  C      -8.369799     -1.946599      3.298948
  C      -9.171265     -0.807572      2.859070
  O      -9.474118      0.188406      3.522365
  C      -9.632004     -0.701945      1.396338
  O      -8.953973     -0.991000      0.430520
  C      -8.326119     -3.101670      2.509611
  C      -7.531368     -4.224126      2.771318
  C      -7.591169     -5.270945      1.736753
  O      -8.442497     -5.325284      0.853383
  C      -1.958701     -5.973397      7.214196
  C      -0.677254     -6.406931      7.662578
  C      -0.297106     -6.301309      8.985697
  Cl      1.337401     -6.738222      9.352290
  C      -1.171804     -5.798697     10.001517
  C      -0.838059     -5.750374     11.429816
  O       0.055226     -6.395318     11.983413
  C      -1.599457     -4.795238     12.365717
  O      -2.252070     -3.824713     12.037950
  C      -2.443920     -5.408618      9.569373
  C      -2.852048     -5.469914      8.231791
  C      -4.221029     -5.240811      7.925047
  O      -4.717356     -5.176316      6.768343
  H      -4.472557     -2.299927      0.886008
  H      -6.136875      3.611905      3.849929
  H      -4.606942      0.691394      4.820676
  H      -4.126525     -0.865802      6.274631
  H      -6.261097     -3.098325      5.728791
  H     -10.600971     -0.152298      1.307049
  H      -8.918495     -3.144116      1.595796
  H      -6.788008     -6.035764      1.744508
  H       0.059147     -6.764098      6.946406
  H      -1.394301     -5.051043     13.434252
  H      -3.169139     -5.061205     10.304256
  H      -4.928888     -5.167863      8.769224
  N      -1.744861     -3.890341      4.750384
  H      -1.636250     -2.954682      4.359390
  H      -1.028990     -4.045316      5.462628
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843903718592
  N      -3.729887     -3.489650      3.174782
  C      -3.500325     -4.272274      1.959489
  C      -2.722833     -5.536589      2.287403
  N      -3.382931     -6.270772      3.405757
  C      -4.688620     -6.850505      2.946184
  C      -5.763558     -6.510536      3.964553
  N      -5.701914     -5.096696      4.294108
  Mo     -3.655775     -4.637600      4.971194
  N      -2.356006     -6.051710      5.932554
  C      -1.554415     -6.811984      4.979195
  C      -2.514525     -7.356344      3.944507
  H      -1.052999     -7.662601      5.465444
  H      -0.783312     -6.170437      4.520526
  H      -3.176812     -8.080772      4.437204
  H      -1.990691     -7.867519      3.120066
  H      -6.757151     -6.822917      3.607803
  H      -5.571336     -7.081943      4.891850
  H      -4.933376     -6.412902      1.972087
  H      -4.580057     -7.935650      2.801715
  H      -2.910003     -3.692618      1.231156
  H      -4.461367     -4.512167      1.468745
  H      -1.714278     -5.267606      2.624897
  H      -2.655591     -6.186974      1.398642
  C      -4.116437     -2.212609      3.043381
  C      -4.464272     -1.662435      1.771458
  C      -4.847470     -0.349002      1.609755
  Cl     -5.275639      0.140349      0.008190
  C      -4.900900      0.568806      2.709272
  C      -5.360811      1.955434      2.625508
  O      -5.795525      2.533931      1.628235
  C      -5.284146      2.891483      3.842169
  O      -4.333813      2.990639      4.594322
  C      -4.557985      0.041351      3.953938
  C      -4.200720     -1.300264      4.171537
  C      -4.064870     -1.675908      5.532405
  O      -3.967477     -2.851265      5.996105
  C      -6.650744     -4.203483      3.919145
  C      -6.797531     -3.073847      4.781740
  C      -7.604496     -1.999383      4.496519
  Cl     -7.638173     -0.710956      5.663508
  C      -8.367203     -1.947224      3.292744
  C      -9.165811     -0.807662      2.849718
  O      -9.461924      0.193568      3.508254
  C      -9.631528     -0.707017      1.388531
  O      -8.954998     -0.995210      0.421339
  C      -8.322677     -3.102951      2.504327
  C      -7.529459     -4.225802      2.768786
  C      -7.586517     -5.272862      1.734060
  O      -8.435516     -5.327187      0.848474
  C      -1.959030     -5.973304      7.212345
  C      -0.676841     -6.405244      7.659862
  C      -0.295437     -6.297999      8.982581
  Cl      1.339583     -6.733377      9.347983
  C      -1.169662     -5.795177      9.998683
  C      -0.834137     -5.744639     11.426530
  O       0.062141     -6.385687     11.979619
  C      -1.595906     -4.789239     12.362057
  O      -2.248463     -3.818890     12.033780
  C      -2.442648     -5.406928      9.567473
  C      -2.851918     -5.469992      8.230308
  C      -4.221511     -5.242698      7.924876
  O      -4.719525     -5.179837      6.768689
  H      -4.477682     -2.298173      0.890204
  H      -6.138317      3.610859      3.855124
  H      -4.603139      0.691071      4.826706
  H      -4.128024     -0.868880      6.279405
  H      -6.266593     -3.099945      5.729063
  H     -10.601970     -0.159670      1.300935
  H      -8.912237     -3.145074      1.588669
  H      -6.783166     -6.037470      1.744138
  H       0.059115     -6.762549      6.943298
  H      -1.388791     -5.043338     13.430631
  H      -3.167589     -5.059573     10.302647
  H      -4.928148     -5.169788      8.770068
  N      -1.748191     -3.889973      4.752097
  H      -1.639934     -2.954707      4.360265
  H      -1.031232     -4.046378      5.462843
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843906018773
  N      -3.730195     -3.489693      3.174921
  C      -3.501435     -4.272362      1.959587
  C      -2.723484     -5.536540      2.287034
  N      -3.383028     -6.270947      3.405563
  C      -4.688621     -6.851257      2.946359
  C      -5.763621     -6.511080      3.964742
  N      -5.701886     -5.097254      4.294167
  Mo     -3.655898     -4.637842      4.970920
  N      -2.356138     -6.051686      5.932037
  C      -1.554163     -6.811649      4.978878
  C      -2.513991     -7.356269      3.943941
  H      -1.052603     -7.662181      5.465113
  H      -0.783248     -6.169720      4.520358
  H      -3.175748     -8.081229      4.436554
  H      -1.989805     -7.866904      3.119408
  H      -6.757275     -6.823680      3.608425
  H      -5.571127     -7.082297      4.892126
  H      -4.933753     -6.413973      1.972173
  H      -4.579923     -7.936358      2.801998
  H      -2.911903     -3.692656      1.230673
  H      -4.462811     -4.512648      1.469630
  H      -1.715042     -5.266936      2.624501
  H      -2.655946     -6.187116      1.398495
  C      -4.116323     -2.212534      3.043695
  C      -4.464286     -1.662007      1.771964
  C      -4.846906     -0.348310      1.610483
  Cl     -5.276640      0.140518      0.009254
  C      -4.899277      0.569330      2.710179
  C      -5.357192      1.956506      2.626371
  O      -5.784676      2.537626      1.627478
  C      -5.283500      2.891660      3.844004
  O      -4.334911      2.990751      4.598374
  C      -4.556724      0.041359      3.954711
  C      -4.200145     -1.300497      4.172041
  C      -4.065112     -1.676557      5.532928
  O      -3.968136     -2.851916      5.996496
  C      -6.650770     -4.204192      3.919029
  C      -6.797343     -3.074403      4.781535
  C      -7.603886     -1.999659      4.496326
  Cl     -7.637530     -0.711493      5.663624
  C      -8.366495     -1.947418      3.292506
  C      -9.163914     -0.807476      2.848801
  O      -9.457845      0.195388      3.505952
  C      -9.633276     -0.708594      1.388680
  O      -8.958190     -0.996178      0.420277
  C      -8.322768     -3.103463      2.504500
  C      -7.529912     -4.226618      2.768947
  C      -7.588007     -5.274007      1.734617
  O      -8.437292     -5.327982      0.849297
  C      -1.959054     -5.972858      7.211805
  C      -0.676577     -6.403800      7.659289
  C      -0.295142     -6.295957      8.982027
  Cl      1.340249     -6.729991      9.347140
  C      -1.169731     -5.793625      9.997961
  C      -0.834156     -5.742668     11.425707
  O       0.062206     -6.383345     11.979111
  C      -1.597524     -4.788777     12.361539
  O      -2.250529     -3.818676     12.033486
  C      -2.443069     -5.406472      9.566836
  C      -2.852347     -5.469986      8.229670
  C      -4.222206     -5.244097      7.924212
  O      -4.719902     -5.181553      6.767869
  H      -4.478425     -2.297900      0.890834
  H      -6.137341      3.611440      3.854795
  H      -4.600941      0.690999      4.827590
  H      -4.128566     -0.869533      6.279950
  H      -6.266603     -3.100674      5.728974
  H     -10.604850     -0.163032      1.302811
  H      -8.912549     -3.145436      1.588990
  H      -6.785290     -6.039264      1.744875
  H       0.059618     -6.760784      6.942819
  H      -1.391272     -5.043755     13.430062
  H      -3.168284     -5.059493     10.301915
  H      -4.928903     -5.172330      8.769426
  N      -1.748341     -3.889645      4.752481
  H      -1.640146     -2.954929      4.359121
  H      -1.031286     -4.046284      5.463194
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843908806713
  N      -3.729447     -3.489850      3.174161
  C      -3.501699     -4.272773      1.958935
  C      -2.723219     -5.536709      2.286099
  N      -3.382314     -6.271298      3.404787
  C      -4.687785     -6.852254      2.945816
  C      -5.763350     -6.511186      3.963533
  N      -5.701047     -5.097396      4.292969
  Mo     -3.655421     -4.638227      4.969884
  N      -2.356375     -6.051839      5.931498
  C      -1.553756     -6.811599      4.978858
  C      -2.512792     -7.356357      3.943187
  H      -1.052304     -7.662100      5.465254
  H      -0.782881     -6.169317      4.520710
  H      -3.174348     -8.081819      4.435311
  H      -1.987895     -7.866349      3.118733
  H      -6.757076     -6.823310      3.607042
  H      -5.571503     -7.082478      4.891037
  H      -4.932823     -6.415956      1.971127
  H      -4.578898     -7.937386      2.802217
  H      -2.913228     -3.692964      1.229276
  H      -4.463447     -4.513793      1.470027
  H      -1.715029     -5.266329      2.623845
  H      -2.655086     -6.187792      1.398049
  C      -4.115083     -2.212568      3.043287
  C      -4.463532     -1.661521      1.771921
  C      -4.845559     -0.347518      1.610919
  Cl     -5.277195      0.141072      0.010202
  C      -4.896377      0.569831      2.710828
  C      -5.352632      1.957362      2.627187
  O      -5.778136      2.539404      1.627949
  C      -5.282219      2.891615      3.845897
  O      -4.336492      2.989420      4.603978
  C      -4.553691      0.041307      3.955097
  C      -4.197916     -1.300868      4.171971
  C      -4.063473     -1.677163      5.532985
  O      -3.967211     -2.852356      5.996805
  C      -6.650348     -4.204503      3.918430
  C      -6.796311     -3.074770      4.781203
  C      -7.603026     -1.999953      4.496825
  Cl     -7.636016     -0.712055      5.664479
  C      -8.366521     -1.947742      3.293623
  C      -9.163281     -0.807551      2.849922
  O      -9.456312      0.196003      3.506572
  C      -9.636803     -0.709887      1.391001
  O      -8.963577     -0.996986      0.421150
  C      -8.323890     -3.103928      2.505757
  C      -7.530789     -4.227167      2.769301
  C      -7.590298     -5.274817      1.735432
  O      -8.440718     -5.329102      0.851259
  C      -1.959668     -5.972466      7.211384
  C      -0.677073     -6.402375      7.659325
  C      -0.296145     -6.293802      8.982230
  Cl      1.339549     -6.726368      9.347719
  C      -1.171501     -5.792011      9.997605
  C      -0.836460     -5.740801     11.425339
  O       0.061017     -6.379902     11.978887
  C      -1.599816     -4.786558     12.360874
  O      -2.252552     -3.816453     12.032349
  C      -2.445060     -5.406007      9.566078
  C      -2.853866     -5.470058      8.228771
  C      -4.223941     -5.245967      7.922642
  O      -4.720540     -5.183653      6.765850
  H      -4.478584     -2.297545      0.890905
  H      -6.135775      3.611781      3.854291
  H      -4.596531      0.690872      4.828110
  H      -4.126717     -0.869858      6.279779
  H      -6.264871     -3.101098      5.728265
  H     -10.609357     -0.165809      1.307318
  H      -8.914748     -3.145757      1.590936
  H      -6.787577     -6.040120      1.745031
  H       0.059652     -6.759131      6.943297
  H      -1.393413     -5.040924     13.429498
  H      -3.170870     -5.059475     10.300772
  H      -4.931246     -5.175820      8.767454
  N      -1.747551     -3.890110      4.751997
  H      -1.639746     -2.955755      4.357594
  H      -1.031143     -4.046174      5.463527
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843906879765
  N      -3.729977     -3.489844      3.174293
  C      -3.503150     -4.272920      1.959026
  C      -2.724362     -5.536722      2.285910
  N      -3.382908     -6.271395      3.404939
  C      -4.688511     -6.852660      2.946631
  C      -5.763752     -6.511233      3.964579
  N      -5.701203     -5.097309      4.293422
  Mo     -3.655517     -4.638239      4.969984
  N      -2.356439     -6.051720      5.931344
  C      -1.553861     -6.811355      4.978580
  C      -2.512976     -7.356286      3.943115
  H      -1.052126     -7.661727      5.464904
  H      -0.783319     -6.168871      4.520170
  H      -3.174340     -8.081877      4.435301
  H      -1.988162     -7.866045      3.118471
  H      -6.757652     -6.823277      3.608563
  H      -5.571666     -7.082297      4.892179
  H      -4.933984     -6.416927      1.971783
  H      -4.579464     -7.937834      2.803479
  H      -2.915376     -3.693080      1.228842
  H      -4.465246     -4.514235      1.470963
  H      -1.716149     -5.266108      2.623420
  H      -2.656331     -6.188007      1.398008
  C      -4.115550     -2.212518      3.043799
  C      -4.464758     -1.661255      1.772756
  C      -4.846432     -0.347105      1.612091
  Cl     -5.279140      0.141614      0.011708
  C      -4.896269      0.570146      2.712113
  C      -5.351700      1.957893      2.628691
  O      -5.775029      2.540836      1.629013
  C      -5.281521      2.891926      3.847610
  O      -4.336332      2.989214      4.606427
  C      -4.553153      0.041349      3.956190
  C      -4.197641     -1.300949      4.172718
  C      -4.062798     -1.677261      5.533756
  O      -3.966709     -2.852420      5.997691
  C      -6.650506     -4.204626      3.918413
  C      -6.796421     -3.074400      4.780593
  C      -7.603043     -1.999681      4.495604
  Cl     -7.636328     -0.711233      5.662634
  C      -8.366534     -1.948153      3.292370
  C      -9.162902     -0.808106      2.847809
  O      -9.453951      0.196996      3.503036
  C      -9.636225     -0.711072      1.388774
  O      -8.962478     -0.998112      0.419248
  C      -8.323828     -3.104718      2.505052
  C      -7.530768     -4.227850      2.769132
  C      -7.589748     -5.275755      1.735532
  O      -8.440096     -5.330686      0.851340
  C      -1.959431     -5.972105      7.211153
  C      -0.676561     -6.401497      7.658741
  C      -0.295339     -6.292720      8.981558
  Cl      1.340692     -6.724524      9.346567
  C      -1.170670     -5.791312      9.997106
  C      -0.835426     -5.739832     11.424738
  O       0.061946     -6.379016     11.978407
  C      -1.600136     -4.787087     12.360675
  O      -2.253818     -3.817502     12.032499
  C      -2.444541     -5.405906      9.565924
  C      -2.853662     -5.470103      8.228742
  C      -4.223934     -5.246775      7.922762
  O      -4.720416     -5.184398      6.765959
  H      -4.480652     -2.297309      0.891779
  H      -6.134412      3.612897      3.855029
  H      -4.595198      0.690893      4.829248
  H      -4.125599     -0.869839      6.280459
  H      -6.265080     -3.100263      5.727720
  H     -10.608488     -0.166586      1.304632
  H      -8.914539     -3.146873      1.590140
  H      -6.786557     -6.040601      1.745258
  H       0.060132     -6.758012      6.942558
  H      -1.394368     -5.042252     13.429223
  H      -3.170337     -5.059727     10.300813
  H      -4.931326     -5.177386      8.767562
  N      -1.747456     -3.890235      4.751492
  H      -1.640430     -2.955632      4.357518
  H      -1.031722     -4.045274      5.463895
77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670591-x6Ls/orca E -7698.843909295596
  N      -3.730121     -3.489877      3.174390
  C      -3.503714     -4.272992      1.959046
  C      -2.724833     -5.536701      2.285900
  N      -3.383261     -6.271431      3.405069
  C      -4.688904     -6.852698      2.947006
  C      -5.763857     -6.511179      3.965132
  N      -5.701272     -5.097152      4.293546
  Mo     -3.655489     -4.638205      4.970127
  N      -2.356505     -6.051647      5.931335
  C      -1.553882     -6.811111      4.978417
  C      -2.513120     -7.356229      3.943151
  H      -1.051854     -7.661336      5.464696
  H      -0.783627     -6.168432      4.519836
  H      -3.174410     -8.081872      4.435359
  H      -1.988387     -7.865874      3.118385
  H      -6.757851     -6.823255      3.609424
  H      -5.571533     -7.082023      4.892801
  H      -4.934485     -6.417173      1.972103
  H      -4.579819     -7.937910      2.804059
  H      -2.916210     -3.693164      1.228639
  H      -4.465975     -4.514372      1.471368
  H      -1.716604     -5.266091      2.623338
  H      -2.656863     -6.187968      1.397966
  C      -4.115627     -2.212515      3.044080
  C      -4.465091     -1.661218      1.773153
  C      -4.846323     -0.346967      1.612501
  Cl     -5.279404      0.141809      0.012222
  C      -4.895713      0.570374      2.712534
  C      -5.350316      1.958419      2.629140
  O      -5.771847      2.542140      1.629136
  C      -5.282203      2.891716      3.848668
  O      -4.338026      2.989192      4.608741
  C      -4.552741      0.041410      3.956619
  C      -4.197490     -1.300950      4.173076
  C      -4.062549     -1.677231      5.534128
  O      -3.966638     -2.852426      5.998150
  C      -6.650534     -4.204553      3.918254
  C      -6.796149     -3.073936      4.779985
  C      -7.602648     -1.999219      4.494658
  Cl     -7.635910     -0.710400      5.661227
  C      -8.366283     -1.948053      3.291463
  C      -9.162372     -0.808012      2.846405
  O      -9.451915      0.198148      3.500680
  C      -9.636512     -0.711887      1.387617
  O      -8.963026     -0.998941      0.417896
  C      -8.323810     -3.104958      2.504622
  C      -7.530908     -4.228089      2.769035
  C      -7.590200     -5.276301      1.735744
  O      -8.440727     -5.331348      0.851729
  C      -1.959373     -5.971981      7.211148
  C      -0.676352     -6.401115      7.658526
  C      -0.295010     -6.292429      8.981306
  Cl      1.341149     -6.723931      9.346173
  C      -1.170348     -5.791369      9.997037
  C      -0.835023     -5.739917     11.424682
  O       0.062780     -6.378675     11.978134
  C      -1.599968     -4.787519     12.360751
  O      -2.253696     -3.817908     12.032710
  C      -2.444376     -5.406231      9.566022
  C      -2.853596     -5.470336      8.228901
  C      -4.223908     -5.247184      7.922904
  O      -4.720289     -5.184554      6.766103
  H      -4.481601     -2.297338      0.892226
  H      -6.135583      3.612115      3.855415
  H      -4.594628      0.690992      4.829645
  H      -4.125097     -0.869755      6.280777
  H      -6.264692     -3.099511      5.727050
  H     -10.609090     -0.167940      1.303667
  H      -8.914590     -3.147378      1.589759
  H      -6.787141     -6.041270      1.745462
  H       0.060341     -6.757365      6.942206
  H      -1.394273     -5.042855     13.429268
  H      -3.170182     -5.060379     10.301057
  H      -4.931445     -5.178130      8.767621
  N      -1.747300     -3.890304      4.751174
  H      -1.640746     -2.955462      4.357610
  H      -1.032084     -4.044652      5.464272
