124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.516775344620
  N      -2.767218     -3.905827      2.941557
  C      -2.594855     -5.074379      2.114594
  C      -3.300496     -6.244577      2.793252
  N      -4.607789     -5.814354      3.279955
  C      -5.567038     -5.714496      2.185318
  C      -6.641848     -4.675252      2.498383
  N      -6.018386     -3.501959      3.062241
  Mo     -4.360329     -3.893790      4.096498
  N      -3.972720     -4.951065      5.716301
  C      -4.285244     -6.355132      5.648531
  C      -5.080040     -6.652382      4.370963
  H      -4.903671     -6.677599      6.504689
  H      -3.368104     -6.973715      5.668177
  H      -6.124947     -6.391969      4.551659
  H      -5.022146     -7.723092      4.117530
  H      -7.175692     -4.449912      1.559477
  H      -7.389024     -5.114558      3.186947
  H      -5.021834     -5.364955      1.305971
  H      -6.019135     -6.691741      1.956083
  H      -1.532670     -5.344096      1.998404
  H      -2.996243     -4.916867      1.095264
  H      -2.706965     -6.524079      3.665110
  H      -3.387353     -7.111345      2.120629
  C      -0.698834     -2.908439      1.906750
  C      -2.120165     -2.715159      2.455745
  C      -3.028891     -2.018658      1.414161
  C      -2.745432     -0.523742      1.234756
  C      -3.790998      0.101230      0.358368
  C      -5.053991      0.389094      0.864626
  C      -6.037532      0.927723      0.059508
  C      -5.787475      1.202162     -1.283691
  C      -6.833635      1.778661     -2.142251
  C      -6.530884      2.788492     -3.053480
  C      -7.515400      3.330395     -3.859196
  C      -8.818797      2.869247     -3.772994
  C      -9.131470      1.864457     -2.872185
  C      -8.149047      1.325282     -2.062120
  C      -4.522709      0.915179     -1.791148
  C      -3.543580      0.369961     -0.981948
  C      -7.877631     -2.001579      2.312969
  C      -6.936533     -2.463355      3.438672
  C      -7.772029     -2.844750      4.693154
  C      -6.855373     -3.294599      5.827626
  C      -7.411360     -4.312057      6.766400
  C      -8.072904     -5.457574      6.329379
  C      -8.539989     -6.403031      7.219052
  C      -8.358875     -6.249207      8.593248
  C      -8.854840     -7.253381      9.542019
  C      -8.797175     -8.614057      9.240810
  C      -9.255556     -9.558418     10.140581
  C      -9.786132     -9.162889     11.357747
  C      -9.853761     -7.814342     11.667586
  C      -9.392493     -6.869874     10.770451
  C      -7.693388     -5.107555      9.036874
  C      -7.234136     -4.162855      8.141567
  C      -1.694635     -4.936983      6.675833
  C      -3.175097     -4.543393      6.840932
  C      -3.748205     -4.945520      8.227631
  C      -3.231565     -6.249959      8.851081
  C      -4.019349     -6.545779     10.094612
  C      -3.701708     -5.932017     11.301186
  C      -4.453123     -6.163493     12.436999
  C      -5.543502     -7.030252     12.403302
  C      -6.345589     -7.288767     13.608468
  C      -6.761047     -8.581598     13.919477
  C      -7.511972     -8.827155     15.053989
  C      -7.869363     -7.784294     15.892858
  C      -7.467383     -6.493697     15.590468
  C      -6.708851     -6.248142     14.460612
  C      -5.857515     -7.651331     11.197388
  C      -5.112432     -7.402931     10.061216
  H      -0.101269     -3.487933      2.607619
  H      -0.222880     -1.939946      1.773831
  H      -0.709951     -3.419194      0.946589
  H      -2.037319     -2.043773      3.322210
  H      -4.058565     -2.159714      1.766590
  H      -2.931030     -2.517920      0.447463
  H      -1.759023     -0.384845      0.789385
  H      -2.747865     -0.037213      2.214111
  H      -5.270249      0.184573      1.903885
  H      -7.006298      1.160002      0.478017
  H      -5.519188      3.163531     -3.115245
  H      -7.265806      4.117583     -4.556618
  H      -9.587266      3.291342     -4.404404
  H     -10.145869      1.497614     -2.802582
  H      -8.397285      0.530608     -1.373000
  H      -4.311885      1.102640     -2.834568
  H      -2.570364      0.149336     -1.398688
  H      -8.641003     -2.748497      2.106222
  H      -7.306260     -1.819840      1.404742
  H      -8.375510     -1.079430      2.604454
  H      -6.314497     -1.598826      3.716368
  H      -8.471596     -3.635647      4.421535
  H      -8.366996     -1.981047      4.998888
  H      -6.541254     -2.421525      6.408141
  H      -5.924407     -3.711254      5.338937
  H      -8.238352     -5.616128      5.272584
  H      -9.070777     -7.267246      6.844674
  H      -8.366520     -8.935221      8.303037
  H      -9.194373    -10.609239      9.893619
  H     -10.143085     -9.900719     12.061476
  H     -10.269073     -7.497675     12.613662
  H      -9.463457     -5.820301     11.016382
  H      -7.512267     -4.973390     10.093633
  H      -6.723114     -3.286610      8.517343
  H      -1.358470     -4.588306      5.699239
  H      -1.087093     -4.473961      7.450053
  H      -1.559774     -6.014105      6.725123
  H      -3.206785     -3.443678      6.811991
  H      -3.531812     -4.139127      8.932758
  H      -4.835430     -5.005958      8.131151
  H      -2.175174     -6.140558      9.102297
  H      -3.336202     -7.076258      8.148263
  H      -2.850245     -5.267247     11.350929
  H      -4.179510     -5.687191     13.368113
  H      -6.475914     -9.400058     13.274040
  H      -7.820387     -9.836986     15.285337
  H      -8.458911     -7.976326     16.777798
  H      -7.747431     -5.674853     16.238268
  H      -6.409170     -5.237174     14.223186
  H      -6.709059     -8.313477     11.147067
  H      -5.384200     -7.884663      9.132248
  N      -4.128118     -1.959276      4.957098
  N      -3.973311     -0.669600      5.530832
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.582852854676
  N      -2.759318     -3.911402      2.934604
  C      -2.582916     -5.089847      2.106066
  C      -3.284570     -6.261273      2.785972
  N      -4.604184     -5.827958      3.274402
  C      -5.571332     -5.728978      2.170644
  C      -6.645559     -4.690438      2.485125
  N      -6.017914     -3.509760      3.051808
  Mo     -4.355253     -3.892918      4.091762
  N      -3.968895     -4.954971      5.714389
  C      -4.284734     -6.367529      5.651476
  C      -5.081661     -6.669225      4.376756
  H      -4.902495     -6.688395      6.510305
  H      -3.366349     -6.987065      5.672997
  H      -6.129960     -6.407872      4.556025
  H      -5.024628     -7.742007      4.125073
  H      -7.180352     -4.466056      1.545535
  H      -7.394535     -5.128841      3.174253
  H      -5.023998     -5.381055      1.288401
  H      -6.022366     -6.708357      1.942418
  H      -1.519065     -5.357801      1.989882
  H      -2.984580     -4.936013      1.084360
  H      -2.689907     -6.540576      3.661150
  H      -3.370274     -7.131272      2.114835
  C      -0.688352     -2.903117      1.905744
  C      -2.112384     -2.706403      2.446840
  C      -3.017192     -2.006747      1.402327
  C      -2.735923     -0.509476      1.226866
  C      -3.781268      0.118670      0.346887
  C      -5.052632      0.401630      0.851959
  C      -6.039818      0.943350      0.042412
  C      -5.786884      1.226499     -1.304876
  C      -6.835949      1.805467     -2.166525
  C      -6.533589      2.823546     -3.078196
  C      -7.522132      3.368519     -3.887896
  C      -8.830561      2.902619     -3.805607
  C      -9.143596      1.889770     -2.904581
  C      -8.156659      1.347706     -2.090977
  C      -4.513917      0.944342     -1.810849
  C      -3.530690      0.396080     -0.997283
  C      -7.874808     -2.004145      2.295646
  C      -6.941606     -2.461075      3.429334
  C      -7.779595     -2.837438      4.685109
  C      -6.870673     -3.283957      5.828885
  C      -7.429401     -4.300063      6.773498
  C      -8.090045     -5.452424      6.336137
  C      -8.557215     -6.402001      7.231354
  C      -8.377739     -6.244350      8.611056
  C      -8.869565     -7.253228      9.564030
  C      -8.802432     -8.618813      9.261391
  C      -9.254382     -9.571531     10.165403
  C      -9.788043     -9.178808     11.389081
  C      -9.865216     -7.824916     11.700513
  C      -9.410305     -6.872706     10.798527
  C      -7.715319     -5.094197      9.054207
  C      -7.255376     -4.145771      8.153184
  C      -1.680829     -4.931056      6.676454
  C      -3.162086     -4.538490      6.843322
  C      -3.737725     -4.939270      8.229359
  C      -3.221995     -6.245900      8.858407
  C      -4.009509     -6.547001     10.105017
  C      -3.693555     -5.931515     11.318065
  C      -4.448334     -6.167782     12.458717
  C      -5.541014     -7.041458     12.424935
  C      -6.346206     -7.304073     13.633152
  C      -6.763182     -8.603147     13.944146
  C      -7.518652     -8.852649     15.082536
  C      -7.879436     -7.807183     15.926882
  C      -7.476215     -6.510201     15.625209
  C      -6.713477     -6.261257     14.491023
  C      -5.852558     -7.664555     11.212731
  C      -5.104383     -7.411538     10.071912
  H      -0.089637     -3.484669      2.612614
  H      -0.209195     -1.930702      1.773384
  H      -0.693117     -3.417565      0.940982
  H      -2.034705     -2.033404      3.314510
  H      -4.050492     -2.146075      1.748618
  H      -2.915822     -2.506612      0.430683
  H      -1.743939     -0.364824      0.784999
  H      -2.743516     -0.025801      2.212021
  H      -5.272520      0.190404      1.895286
  H      -7.015381      1.171679      0.461534
  H      -5.517683      3.202962     -3.136849
  H      -7.271404      4.162539     -4.585342
  H      -9.602577      3.327228     -4.440118
  H     -10.162104      1.518319     -2.837530
  H      -8.405332      0.546221     -1.401496
  H      -4.299548      1.138203     -2.857919
  H      -2.550452      0.179109     -1.414016
  H      -8.642555     -2.753717      2.085024
  H      -7.296896     -1.824171      1.384709
  H      -8.375145     -1.076267      2.582530
  H      -6.319884     -1.595530      3.706115
  H      -8.483068     -3.631510      4.413809
  H      -8.375446     -1.968260      4.984934
  H      -6.552965     -2.407564      6.405724
  H      -5.938851     -3.705798      5.346316
  H      -8.253540     -5.614136      5.273885
  H      -9.086519     -7.273537      6.856660
  H      -8.367531     -8.936879      8.318135
  H      -9.184966    -10.626707      9.916644
  H     -10.139820     -9.923044     12.096836
  H     -10.282881     -7.509665     12.651914
  H      -9.488065     -5.818482     11.045915
  H      -7.534733     -4.956667     10.116025
  H      -6.744094     -3.262895      8.528096
  H      -1.340888     -4.583149      5.696046
  H      -1.069964     -4.464242      7.453124
  H      -1.542072     -6.013349      6.728016
  H      -3.193755     -3.438505      6.812658
  H      -3.522366     -4.127964      8.934727
  H      -4.827743     -4.999069      8.131696
  H      -2.161807     -6.135392      9.110570
  H      -3.324444     -7.077017      8.154017
  H      -2.839921     -5.260387     11.369291
  H      -4.175138     -5.689042     13.394836
  H      -6.475479     -9.424307     13.294488
  H      -7.827653     -9.868199     15.312792
  H      -8.472520     -8.002095     16.815305
  H      -7.758839     -5.688371     16.276816
  H      -6.413193     -5.244686     14.254082
  H      -6.706109     -8.332460     11.160467
  H      -5.376319     -7.895566      9.137543
  N      -4.115213     -1.989174      4.922098
  N      -3.972671     -0.820354      5.435800
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.617300348965
  N      -2.750681     -3.909984      2.929797
  C      -2.573711     -5.095630      2.100168
  C      -3.273053     -6.267888      2.781288
  N      -4.600648     -5.833150      3.272076
  C      -5.574451     -5.734126      2.163618
  C      -6.648387     -4.695950      2.480588
  N      -6.018012     -3.509663      3.048247
  Mo     -4.348971     -3.885884      4.091104
  N      -3.964130     -4.954609      5.716132
  C      -4.282357     -6.372854      5.655320
  C      -5.080878     -6.676613      4.382257
  H      -4.899370     -6.692708      6.515725
  H      -3.363320     -6.992907      5.678057
  H      -6.130945     -6.414150      4.559660
  H      -5.024821     -7.750401      4.130865
  H      -7.184913     -4.472009      1.541313
  H      -7.397708     -5.133447      3.170921
  H      -5.025779     -5.387947      1.279606
  H      -6.024454     -6.715022      1.936738
  H      -1.508995     -5.362694      1.983113
  H      -2.976215     -4.944081      1.077457
  H      -2.678508     -6.547801      3.658483
  H      -3.359105     -7.139694      2.111298
  C      -0.678450     -2.899061      1.901988
  C      -2.102896     -2.696922      2.438468
  C      -3.005928     -1.997262      1.393391
  C      -2.726639     -0.498802      1.217246
  C      -3.772986      0.129707      0.335861
  C      -5.049213      0.409346      0.841199
  C      -6.039787      0.951307      0.029826
  C      -5.787118      1.238610     -1.320410
  C      -6.838979      1.817220     -2.182782
  C      -6.538811      2.839091     -3.096489
  C      -7.531032      3.384354     -3.907783
  C      -8.842152      2.915269     -3.825322
  C      -9.153541      1.898694     -2.922333
  C      -8.162499      1.356497     -2.107529
  C      -4.509711      0.959748     -1.826512
  C      -3.522744      0.411286     -1.011091
  C      -7.873929     -2.001892      2.288695
  C      -6.946408     -2.454370      3.427295
  C      -7.784562     -2.827489      4.683900
  C      -6.881480     -3.271344      5.834434
  C      -7.441754     -4.286587      6.782340
  C      -8.101181     -5.442603      6.342643
  C      -8.568603     -6.395881      7.239583
  C      -8.390819     -6.237758      8.622882
  C      -8.879961     -7.250759      9.576637
  C      -8.807068     -8.618745      9.270772
  C      -9.254590     -9.578074     10.175709
  C      -9.789601     -9.189230     11.404128
  C      -9.872625     -7.832766     11.718803
  C      -9.422161     -6.874369     10.815446
  C      -7.730930     -5.083013      9.067697
  C      -7.270474     -4.130830      8.164813
  C      -1.670387     -4.927938      6.680243
  C      -3.150625     -4.534302      6.849023
  C      -3.729694     -4.934544      8.233144
  C      -3.217484     -6.243824      8.864470
  C      -4.004936     -6.549430     10.112048
  C      -3.689468     -5.935331     11.330083
  C      -4.446203     -6.175365     12.473223
  C      -5.541195     -7.051784     12.438413
  C      -6.347974     -7.317460     13.647794
  C      -6.768097     -8.619851     13.957006
  C      -7.526329     -8.872207     15.097382
  C      -7.887030     -7.825975     15.946858
  C      -7.480806     -6.525497     15.647442
  C      -6.715600     -6.274208     14.510874
  C      -5.851981     -7.673807     11.221534
  C      -5.101866     -7.417138     10.078324
  H      -0.079201     -3.481186      2.612498
  H      -0.195013     -1.925834      1.767237
  H      -0.680275     -3.417570      0.935871
  H      -2.026984     -2.021972      3.305532
  H      -4.041345     -2.134120      1.737253
  H      -2.904345     -2.499325      0.419795
  H      -1.732269     -0.350010      0.776162
  H      -2.736159     -0.015662      2.205184
  H      -5.269974      0.194946      1.886768
  H      -7.018607      1.176775      0.450093
  H      -5.521081      3.221251     -3.155132
  H      -7.280936      4.181247     -4.606224
  H      -9.617015      3.339992     -4.460767
  H     -10.173653      1.524176     -2.854700
  H      -8.409716      0.552097     -1.416685
  H      -4.294780      1.156477     -2.875705
  H      -2.539136      0.196867     -1.428486
  H      -8.643608     -2.753069      2.075427
  H      -7.292337     -1.822945      1.376469
  H      -8.376882     -1.070707      2.571213
  H      -6.325358     -1.587596      3.702667
  H      -8.489864     -3.623784      4.413274
  H      -8.381437     -1.954954      4.979261
  H      -6.561255     -2.392874      6.409242
  H      -5.949624     -3.697028      5.357333
  H      -8.262558     -5.604380      5.277278
  H      -9.096309     -7.271082      6.863585
  H      -8.370088     -8.932794      8.324053
  H      -9.180083    -10.634830      9.924056
  H     -10.137618     -9.938133     12.112850
  H     -10.291118     -7.520086     12.673584
  H      -9.503946     -5.818276     11.065318
  H      -7.551353     -4.945038     10.132369
  H      -6.759558     -3.244654      8.540122
  H      -1.326604     -4.580330      5.698464
  H      -1.056266     -4.461179      7.458714
  H      -1.530160     -6.013167      6.731731
  H      -3.180857     -3.434426      6.818846
  H      -3.514363     -4.121496      8.939902
  H      -4.821464     -4.991748      8.134006
  H      -2.155110     -6.134771      9.117791
  H      -3.319201     -7.076682      8.158266
  H      -2.834255     -5.261745     11.383273
  H      -4.172642     -5.697137     13.412587
  H      -6.480638     -9.441690     13.303704
  H      -7.837145     -9.890535     15.325204
  H      -8.481971     -8.022852     16.836797
  H      -7.763058     -5.702659     16.302228
  H      -6.413353     -5.254967     14.275688
  H      -6.707094     -8.343790     11.167029
  H      -5.374559     -7.900567      9.140530
  N      -4.102645     -2.009439      4.896960
  N      -3.975158     -0.973031      5.348998
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.623829368011
  N      -2.779963     -3.871697      2.948692
  C      -2.588286     -5.059569      2.117166
  C      -3.276075     -6.239831      2.792489
  N      -4.617062     -5.819030      3.278472
  C      -5.591213     -5.726465      2.161951
  C      -6.680439     -4.710227      2.484641
  N      -6.066076     -3.514957      3.060442
  Mo     -4.385567     -3.853968      4.109142
  N      -3.994108     -4.940229      5.728107
  C      -4.302504     -6.364209      5.661409
  C      -5.100053     -6.668284      4.390807
  H      -4.912691     -6.694793      6.522921
  H      -3.377662     -6.977620      5.681569
  H      -6.154323     -6.410767      4.560216
  H      -5.039005     -7.741791      4.134319
  H      -7.218562     -4.487918      1.545103
  H      -7.428664     -5.161438      3.168509
  H      -5.039648     -5.371890      1.281139
  H      -6.021892     -6.715629      1.929522
  H      -1.519759     -5.315721      2.001963
  H      -2.986110     -4.913051      1.090683
  H      -2.686615     -6.522750      3.674284
  H      -3.353435     -7.111856      2.120162
  C      -0.685189     -2.858693      1.978772
  C      -2.126051     -2.650509      2.464636
  C      -2.996448     -1.957605      1.389817
  C      -2.713954     -0.458775      1.210062
  C      -3.743432      0.171922      0.308628
  C      -5.034944      0.438449      0.786738
  C      -6.014889      0.971253     -0.045850
  C      -5.738075      1.260900     -1.392712
  C      -6.778829      1.829151     -2.277468
  C      -6.462872      2.827952     -3.213792
  C      -7.444903      3.363681     -4.046335
  C      -8.763238      2.910537     -3.961024
  C      -9.091063      1.917896     -3.034879
  C      -8.109249      1.383329     -2.201309
  C      -4.445880      0.994399     -1.871801
  C      -3.468700      0.457381     -1.034388
  C      -7.910910     -2.020332      2.260849
  C      -7.009976     -2.458796      3.424161
  C      -7.868558     -2.830342      4.668174
  C      -6.994020     -3.240999      5.855286
  C      -7.563009     -4.244235      6.813605
  C      -8.192094     -5.421452      6.380252
  C      -8.643119     -6.378076      7.284737
  C      -8.483603     -6.199549      8.669643
  C      -8.932247     -7.226494      9.631294
  C      -8.819051     -8.594151      9.327776
  C      -9.206745     -9.566484     10.248905
  C      -9.719974     -9.191714     11.492769
  C      -9.844156     -7.836190     11.804992
  C      -9.455079     -6.864928     10.884523
  C      -7.865708     -5.017546      9.107820
  C      -7.419496     -4.063094      8.197331
  C      -1.684919     -4.928687      6.662756
  C      -3.159074     -4.527882      6.856896
  C      -3.726027     -4.947377      8.239481
  C      -3.218435     -6.272580      8.845220
  C      -3.982932     -6.600392     10.102869
  C      -3.649847     -6.000424     11.325276
  C      -4.392214     -6.251677     12.477269
  C      -5.491538     -7.125619     12.448886
  C      -6.286509     -7.396847     13.666635
  C      -6.748184     -8.692939     13.949927
  C      -7.499385     -8.949283     15.096046
  C      -7.807445     -7.913802     15.981541
  C      -7.359192     -6.619382     15.709067
  C      -6.605122     -6.364013     14.563946
  C      -5.818181     -7.736403     11.228416
  C      -5.080884     -7.470031     10.076999
  H      -0.102562     -3.425310      2.719479
  H      -0.197918     -1.884690      1.838270
  H      -0.652214     -3.396874      1.020545
  H      -2.078506     -1.969071      3.329638
  H      -4.044120     -2.086143      1.701976
  H      -2.875237     -2.469222      0.420349
  H      -1.707752     -0.305622      0.791863
  H      -2.743347      0.026616      2.199234
  H      -5.275507      0.221792      1.830351
  H      -7.006419      1.188132      0.355504
  H      -5.439011      3.200769     -3.272714
  H      -7.181409      4.144495     -4.761613
  H      -9.531409      3.329336     -4.612515
  H     -10.117286      1.553455     -2.965520
  H      -8.369028      0.595453     -1.492265
  H      -4.211154      1.192577     -2.919089
  H      -2.472677      0.250046     -1.432378
  H      -8.668265     -2.781711      2.025840
  H      -7.308621     -1.830987      1.361036
  H      -8.435467     -1.093126      2.528743
  H      -6.399153     -1.585658      3.704305
  H      -8.560372     -3.640342      4.393040
  H      -8.487593     -1.961017      4.934293
  H      -6.676110     -2.349143      6.413861
  H      -6.051835     -3.673408      5.407390
  H      -8.336240     -5.599863      5.312476
  H      -9.141056     -7.275419      6.913214
  H      -8.389996     -8.896433      8.371040
  H      -9.097039    -10.623118      9.999287
  H     -10.018176     -9.951291     12.216472
  H     -10.246246     -7.533586     12.772635
  H      -9.563571     -5.808849     11.135295
  H      -7.697394     -4.863899     10.174777
  H      -6.927290     -3.160806      8.566580
  H      -1.341770     -4.561949      5.685114
  H      -1.056395     -4.485225      7.447987
  H      -1.549574     -6.018474      6.689975
  H      -3.185923     -3.427630      6.843355
  H      -3.496957     -4.145493      8.958300
  H      -4.821610     -4.989338      8.155932
  H      -2.147986     -6.179209      9.080153
  H      -3.332493     -7.095720      8.125895
  H      -2.790760     -5.327064     11.374522
  H      -4.103920     -5.783085     13.420012
  H      -6.500859     -9.508104     13.268307
  H      -7.842406     -9.964429     15.302560
  H      -8.395328     -8.114179     16.878356
  H      -7.602546     -5.802679     16.390636
  H      -6.271926     -5.347357     14.348564
  H      -6.679376     -8.402989     11.176523
  H      -5.370640     -7.941051      9.134853
  N      -4.142741     -1.996060      4.888232
  N      -4.019494     -0.953700      5.335878
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.628125370599
  N      -2.770605     -3.870492      2.923026
  C      -2.584775     -5.054403      2.077391
  C      -3.261727     -6.245449      2.741698
  N      -4.608588     -5.837671      3.239428
  C      -5.595175     -5.733239      2.127749
  C      -6.687802     -4.735256      2.481588
  N      -6.075737     -3.541340      3.070225
  Mo     -4.371454     -3.857372      4.099309
  N      -3.982878     -4.980985      5.700279
  C      -4.292811     -6.406747      5.619847
  C      -5.092795     -6.697096      4.351199
  H      -4.897350     -6.746344      6.481094
  H      -3.367721     -7.019904      5.635103
  H      -6.148675     -6.437866      4.515587
  H      -5.036375     -7.768190      4.081219
  H      -7.238920     -4.499875      1.552666
  H      -7.428508     -5.201463      3.163521
  H      -5.047861     -5.366797      1.248205
  H      -6.014972     -6.725458      1.885456
  H      -1.516152     -5.304831      1.948885
  H      -2.988411     -4.899405      1.054133
  H      -2.672805     -6.545360      3.619168
  H      -3.343135     -7.110093      2.059514
  C      -0.670527     -2.856298      1.974910
  C      -2.114515     -2.641277      2.443502
  C      -2.976675     -1.946882      1.369399
  C      -2.695063     -0.446221      1.198864
  C      -3.725006      0.198675      0.307487
  C      -5.019434      0.453523      0.789296
  C      -6.002368      0.995358     -0.035600
  C      -5.728246      1.306948     -1.380165
  C      -6.771846      1.885647     -2.256314
  C      -6.455595      2.883470     -3.196146
  C      -7.440322      3.429785     -4.020583
  C      -8.763869      2.990131     -3.923574
  C      -9.093029      1.999132     -2.994017
  C      -8.107906      1.453254     -2.169752
  C      -4.433074      1.052468     -1.862234
  C      -3.452585      0.506970     -1.032229
  C      -7.911953     -2.039022      2.274714
  C      -7.027631     -2.483349      3.445829
  C      -7.895103     -2.863885      4.679662
  C      -7.041698     -3.269094      5.885032
  C      -7.601188     -4.289326      6.832769
  C      -8.213887     -5.468581      6.377138
  C      -8.638630     -6.455144      7.263795
  C      -8.465843     -6.308390      8.652461
  C      -8.880317     -7.370298      9.594448
  C      -8.767903     -8.728907      9.245202
  C      -9.119920     -9.733727     10.147640
  C      -9.596630     -9.402211     11.419397
  C      -9.722959     -8.056872     11.776662
  C      -9.369645     -7.053399     10.874678
  C      -7.864193     -5.123943      9.112040
  C      -7.446676     -4.137157      8.219561
  C      -1.676928     -5.014763      6.648709
  C      -3.139346     -4.578854      6.835539
  C      -3.735702     -4.972685      8.213540
  C      -3.291319     -6.311079      8.838826
  C      -4.057373     -6.588954     10.108008
  C      -3.680644     -5.987892     11.318893
  C      -4.415274     -6.190849     12.486140
  C      -5.555360     -7.013986     12.488152
  C      -6.337112     -7.235173     13.725708
  C      -6.875144     -8.499891     14.023912
  C      -7.608542     -8.709475     15.192277
  C      -7.820900     -7.658002     16.089337
  C      -7.297647     -6.393621     15.802619
  C      -6.563360     -6.185172     14.633868
  C      -5.929919     -7.622433     11.278177
  C      -5.196843     -7.406984     10.111333
  H      -0.092555     -3.419299      2.724472
  H      -0.176137     -1.884081      1.830022
  H      -0.625656     -3.401090      1.018679
  H      -2.075930     -1.962275      3.310577
  H      -4.029143     -2.070423      1.672198
  H      -2.859722     -2.456528      0.396261
  H      -1.686915     -0.282649      0.785407
  H      -2.722814      0.028085      2.195598
  H      -5.258416      0.222812      1.832136
  H      -6.994975      1.204340      0.371248
  H      -5.427800      3.248281     -3.262750
  H      -7.174639      4.210414     -4.737461
  H      -9.534775      3.417927     -4.568359
  H     -10.123140      1.643301     -2.915524
  H      -8.369043      0.665402     -1.458992
  H      -4.198561      1.266694     -2.907925
  H      -2.454284      0.308717     -1.433593
  H      -8.665869     -2.799689      2.018798
  H      -7.299647     -1.835212      1.382865
  H      -8.446876     -1.114990      2.542159
  H      -6.418184     -1.612000      3.735219
  H      -8.581986     -3.677148      4.394457
  H      -8.526640     -1.998308      4.936600
  H      -6.715306     -2.379939      6.444765
  H      -6.103423     -3.700879      5.454525
  H      -8.365303     -5.622875      5.305051
  H      -9.126310     -7.352790      6.875702
  H      -8.366498     -8.998696      8.265863
  H      -9.009293    -10.782309      9.860983
  H      -9.865748    -10.187245     12.129375
  H     -10.100815     -7.786613     12.764792
  H      -9.481230     -6.005244     11.161020
  H      -7.685592     -4.992477     10.181849
  H      -6.960105     -3.235923      8.603412
  H      -1.310377     -4.655339      5.675381
  H      -1.040295     -4.590729      7.441156
  H      -1.564302     -6.109004      6.675948
  H      -3.143361     -3.478475      6.820164
  H      -3.482242     -4.172956      8.929201
  H      -4.834765     -4.964777      8.125904
  H      -2.214125     -6.267970      9.065953
  H      -3.439364     -7.141297      8.131678
  H      -2.788063     -5.355456     11.347574
  H      -4.087295     -5.726439     13.419567
  H      -6.700217     -9.329818     13.335561
  H      -8.010000     -9.702471     15.408691
  H      -8.393517     -7.822167     17.004943
  H      -7.466987     -5.562506     16.491424
  H      -6.171570     -5.190357     14.408274
  H      -6.824514     -8.247534     11.246020
  H      -5.523839     -7.876528      9.178543
  N      -4.116041     -2.043603      4.860599
  N      -3.982660     -0.996591      5.311487
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.630563561805
  N      -2.760859     -3.838117      2.939428
  C      -2.570374     -5.033504      2.109625
  C      -3.241086     -6.221924      2.781560
  N      -4.596276     -5.822907      3.265774
  C      -5.581536     -5.737824      2.149940
  C      -6.683509     -4.752159      2.498054
  N      -6.083547     -3.546397      3.074974
  Mo     -4.369728     -3.806635      4.109989
  N      -4.000459     -4.929165      5.721639
  C      -4.294350     -6.359607      5.652791
  C      -5.083500     -6.669596      4.386593
  H      -4.901487     -6.696443      6.514733
  H      -3.363406     -6.961991      5.684237
  H      -6.142607     -6.413365      4.533509
  H      -5.021348     -7.742856      4.127314
  H      -7.237043     -4.527389      1.568239
  H      -7.422029     -5.217710      3.181710
  H      -5.032447     -5.377053      1.269455
  H      -5.985328     -6.739016      1.916449
  H      -1.500121     -5.277897      1.985681
  H      -2.969845     -4.892295      1.083266
  H      -2.660944     -6.515582      3.666743
  H      -3.314731     -7.093778      2.107648
  C      -0.652229     -2.833999      2.004623
  C      -2.102667     -2.612808      2.443846
  C      -2.954072     -1.946278      1.349710
  C      -2.677370     -0.447766      1.156128
  C      -3.705102      0.184800      0.254623
  C      -5.003561      0.437808      0.728191
  C      -5.985377      0.967696     -0.105474
  C      -5.708010      1.269383     -1.452465
  C      -6.750162      1.836092     -2.337582
  C      -6.431107      2.812538     -3.299503
  C      -7.414480      3.348358     -4.132413
  C      -8.741076      2.920333     -4.022665
  C      -9.073777      1.950873     -3.071523
  C      -8.089728      1.415273     -2.239292
  C      -4.408610      1.017125     -1.925524
  C      -3.429072      0.483699     -1.086626
  C      -7.898779     -2.062733      2.210566
  C      -7.046163     -2.478619      3.413173
  C      -7.940024     -2.828542      4.631344
  C      -7.124901     -3.182590      5.877438
  C      -7.701154     -4.163131      6.855354
  C      -8.286706     -5.369641      6.436460
  C      -8.715718     -6.323278      7.356267
  C      -8.581488     -6.110928      8.741388
  C      -8.993639     -7.138507      9.720412
  C      -8.830464     -8.507187      9.438154
  C      -9.167241     -9.480173     10.380717
  C      -9.677806     -9.105767     11.627682
  C      -9.853425     -7.749743     11.919229
  C      -9.517577     -6.778783     10.975977
  C      -8.011292     -4.897009      9.161777
  C      -7.582912     -3.946227      8.236600
  C      -1.697922     -4.894934      6.682859
  C      -3.170372     -4.505348      6.864379
  C      -3.761132     -4.934938      8.232066
  C      -3.245011     -6.253924      8.841717
  C      -3.993847     -6.617644     10.097456
  C      -3.682096     -6.009422     11.323875
  C      -4.406559     -6.298545     12.479199
  C      -5.467120     -7.223143     12.455539
  C      -6.243831     -7.532365     13.676545
  C      -6.696122     -8.839505     13.933606
  C      -7.439093     -9.130048     15.078277
  C      -7.748215     -8.119151     15.994082
  C      -7.308327     -6.814271     15.750780
  C      -6.564925     -6.524898     14.605251
  C      -5.769166     -7.844280     11.231560
  C      -5.052533     -7.537143     10.075890
  H      -0.082292     -3.373894      2.776606
  H      -0.156552     -1.865389      1.839332
  H      -0.587534     -3.403026      1.063749
  H      -2.082491     -1.918384      3.298401
  H      -4.011027     -2.063857      1.640837
  H      -2.832385     -2.474268      0.386810
  H      -1.667472     -0.281878      0.747879
  H      -2.709781      0.038674      2.147323
  H      -5.244837      0.218196      1.772819
  H      -6.979506      1.177103      0.296830
  H      -5.401715      3.170294     -3.375882
  H      -7.145107      4.112441     -4.865323
  H      -9.510917      3.340063     -4.673682
  H     -10.105612      1.603105     -2.982481
  H      -8.354063      0.643322     -1.512740
  H      -4.169915      1.222542     -2.971839
  H      -2.427965      0.286960     -1.481381
  H      -8.645070     -2.828591      1.948035
  H      -7.265025     -1.873487      1.330787
  H      -8.445102     -1.135184      2.441709
  H      -6.440676     -1.602404      3.695053
  H      -8.616630     -3.653886      4.355508
  H      -8.585540     -1.959346      4.838779
  H      -6.802646     -2.271754      6.403485
  H      -6.180447     -3.637503      5.498804
  H      -8.409177     -5.571335      5.368800
  H      -9.179947     -7.245028      6.997529
  H      -8.394473     -8.807337      8.482102
  H      -9.014631    -10.536247     10.146394
  H      -9.931014     -9.865113     12.370516
  H     -10.250144     -7.445359     12.889949
  H      -9.664735     -5.722815     11.211964
  H      -7.860904     -4.714943     10.228171
  H      -7.117271     -3.021765      8.589500
  H      -1.329180     -4.513092      5.719202
  H      -1.079026     -4.464447      7.486001
  H      -1.549117     -5.985239      6.699066
  H      -3.212613     -3.406025      6.855576
  H      -3.553718     -4.131033      8.958565
  H      -4.859657     -4.976719      8.138314
  H      -2.173061     -6.148625      9.076130
  H      -3.327423     -7.079723      8.118779
  H      -2.850425     -5.300065     11.373505
  H      -4.130219     -5.822880     13.423367
  H      -6.449948     -9.637106     13.229454
  H      -7.773517    -10.154161     15.260313
  H      -8.328974     -8.346400     16.890657
  H      -7.552878     -6.014229     16.453376
  H      -6.244845     -5.498539     14.410889
  H      -6.598735     -8.550978     11.177572
  H      -5.326978     -8.018148      9.132252
  N      -4.121815     -2.016347      4.819236
  N      -3.984493     -0.954449      5.247080
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.631094026366
  N      -2.740873     -3.805322      2.966835
  C      -2.547369     -5.014148      2.161236
  C      -3.211649     -6.193822      2.850007
  N      -4.575185     -5.801462      3.311347
  C      -5.552846     -5.738378      2.189550
  C      -6.663000     -4.763772      2.526351
  N      -6.073678     -3.546006      3.081371
  Mo     -4.357846     -3.752918      4.125491
  N      -4.012722     -4.860087      5.755301
  C      -4.295673     -6.291432      5.704362
  C      -5.073140     -6.622239      4.443185
  H      -4.908579     -6.618894      6.566875
  H      -3.361783     -6.886457      5.755962
  H      -6.133499     -6.360829      4.568995
  H      -5.012275     -7.699502      4.201812
  H      -7.218486     -4.555143      1.594285
  H      -7.399499     -5.223446      3.214942
  H      -4.999005     -5.387145      1.308614
  H      -5.941630     -6.748280      1.967584
  H      -1.475773     -5.253630      2.042663
  H      -2.943644     -4.893452      1.131636
  H      -2.642597     -6.472775      3.746707
  H      -3.275084     -7.078272      2.191705
  C      -0.630632     -2.805185      2.039023
  C      -2.087220     -2.584770      2.451710
  C      -2.934181     -1.953995      1.339224
  C      -2.667001     -0.458667      1.113460
  C      -3.699098      0.153949      0.204425
  C      -4.998755      0.406813      0.676286
  C      -5.985287      0.917431     -0.163431
  C      -5.713531      1.199737     -1.516476
  C      -6.760365      1.746917     -2.407736
  C      -6.445015      2.691951     -3.402366
  C      -7.432733      3.210167     -4.241123
  C      -8.761614      2.796562     -4.105235
  C      -9.091391      1.858592     -3.121811
  C      -8.102736      1.340260     -2.284283
  C      -4.412682      0.948320     -1.986999
  C      -3.428201      0.434464     -1.141885
  C      -7.860391     -2.082272      2.142145
  C      -7.040150     -2.465711      3.375687
  C      -7.958230     -2.779938      4.579206
  C      -7.177113     -3.078442      5.859964
  C      -7.763006     -4.008108      6.880130
  C      -8.322021     -5.248653      6.528340
  C      -8.745388     -6.150493      7.503009
  C      -8.641360     -5.843993      8.874603
  C      -9.036981     -6.812186      9.918096
  C      -8.813012     -8.190003      9.743526
  C      -9.116050     -9.101485     10.756599
  C      -9.651588     -8.654980     11.969208
  C      -9.885988     -7.289080     12.155136
  C      -9.586298     -6.380725     11.140373
  C      -8.103867     -4.594032      9.222803
  C      -7.672328     -3.700656      8.245445
  C      -1.714507     -4.757274      6.726565
  C      -3.196614     -4.419603      6.903682
  C      -3.787017     -4.899592      8.252085
  C      -3.200175     -6.197810      8.839550
  C      -3.946409     -6.664840     10.059926
  C      -3.736395     -6.070017     11.314642
  C      -4.468670     -6.465822     12.433011
  C      -5.429010     -7.492530     12.344510
  C      -6.221952     -7.909884     13.521286
  C      -6.584319     -9.256866     13.707491
  C      -7.360621     -9.648400     14.798531
  C      -7.795159     -8.701482     15.731917
  C      -7.442541     -7.358861     15.561866
  C      -6.666386     -6.968482     14.469338
  C      -5.618219     -8.106287     11.094041
  C      -4.902591     -7.686818      9.975094
  H      -0.064474     -3.315094      2.833268
  H      -0.139198     -1.838950      1.848347
  H      -0.545737     -3.401251      1.116843
  H      -2.086864     -1.873215      3.291336
  H      -3.993713     -2.067603      1.624373
  H      -2.810464     -2.504640      0.389330
  H      -1.658304     -0.290366      0.703547
  H      -2.699419      0.045067      2.096319
  H      -5.235204      0.206515      1.725664
  H      -6.978429      1.129240      0.239109
  H      -5.414564      3.040645     -3.499112
  H      -7.164732      3.950105     -4.998492
  H      -9.534800      3.202706     -4.760383
  H     -10.124313      1.521092     -3.011753
  H      -8.365323      0.591763     -1.533444
  H      -4.176697      1.137863     -3.036591
  H      -2.426665      0.237913     -1.534968
  H      -8.600238     -2.853241      1.877090
  H      -7.205704     -1.912235      1.274227
  H      -8.415071     -1.150385      2.333294
  H      -6.435579     -1.585708      3.646191
  H      -8.627161     -3.616417      4.318251
  H      -8.613554     -1.907029      4.736237
  H      -6.855439     -2.145048      6.344718
  H      -6.229577     -3.556290      5.532927
  H      -8.423234     -5.518576      5.473986
  H      -9.185792     -7.102564      7.198445
  H      -8.347796     -8.541837      8.819112
  H      -8.913209    -10.163984     10.605913
  H      -9.873682     -9.364694     12.768604
  H     -10.292415     -6.926585     13.101508
  H      -9.774459     -5.316893     11.296166
  H      -7.974348     -4.339658     10.276566
  H      -7.227371     -2.747476      8.543515
  H      -1.344846     -4.343026      5.777140
  H      -1.115778     -4.326989      7.544902
  H      -1.526961     -5.841743      6.722229
  H      -3.278188     -3.322814      6.909253
  H      -3.636435     -4.100410      8.998162
  H      -4.880996     -4.996432      8.140329
  H      -2.142378     -6.028129      9.101263
  H      -3.200228     -7.004883      8.091342
  H      -2.982616     -5.283536     11.415382
  H      -4.274843     -5.994024     13.399024
  H      -6.246166    -10.004259     12.987246
  H      -7.624704    -10.700997     14.923318
  H      -8.402843     -9.007529     16.585825
  H      -7.784447     -6.607938     16.277475
  H      -6.422132     -5.913390     14.327614
  H      -6.364462     -8.894657     10.986795
  H      -5.093871     -8.163610      9.009428
  N      -4.116556     -1.983783      4.774755
  N      -3.975132     -0.905628      5.173676
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.631788672899
  N      -2.726201     -3.811852      2.955222
  C      -2.531575     -5.020586      2.151447
  C      -3.184253     -6.202207      2.848285
  N      -4.547672     -5.818662      3.313780
  C      -5.530383     -5.765588      2.197090
  C      -6.645180     -4.796829      2.536333
  N      -6.059853     -3.574118      3.082282
  Mo     -4.339064     -3.765022      4.118498
  N      -3.985401     -4.859956      5.753460
  C      -4.253885     -6.293374      5.708213
  C      -5.034932     -6.635338      4.451953
  H      -4.859266     -6.623612      6.574618
  H      -3.313804     -6.878867      5.757276
  H      -6.095943     -6.379107      4.581849
  H      -4.969559     -7.713630      4.216254
  H      -7.207425     -4.595168      1.606785
  H      -7.374617     -5.258222      3.231356
  H      -4.983533     -5.412942      1.312450
  H      -5.913592     -6.778651      1.979656
  H      -1.459357     -5.254279      2.026599
  H      -2.935308     -4.904667      1.124191
  H      -2.608932     -6.473557      3.743247
  H      -3.243767     -7.089513      2.193344
  C      -0.620881     -2.804934      2.023699
  C      -2.077246     -2.589626      2.439538
  C      -2.928262     -1.959710      1.329058
  C      -2.656827     -0.466091      1.096814
  C      -3.697505      0.149552      0.199928
  C      -4.988250      0.413136      0.689330
  C      -5.983409      0.926117     -0.138327
  C      -5.729557      1.200099     -1.496299
  C      -6.785889      1.748997     -2.374846
  C      -6.478109      2.679284     -3.385342
  C      -7.474843      3.199074     -4.212046
  C      -8.805345      2.801961     -4.047831
  C      -9.127627      1.878804     -3.048329
  C      -8.129994      1.358777     -2.222933
  C      -4.437277      0.938837     -1.984208
  C      -3.444001      0.422850     -1.151061
  C      -7.846697     -2.113245      2.135917
  C      -7.026135     -2.493345      3.370589
  C      -7.943721     -2.806907      4.574150
  C      -7.161217     -3.095250      5.856327
  C      -7.747456     -4.018099      6.883055
  C      -8.316533     -5.256251      6.539347
  C      -8.750292     -6.147117      7.519680
  C      -8.642680     -5.833489      8.889184
  C      -9.059055     -6.785756      9.939588
  C      -8.881725     -8.170967      9.769620
  C      -9.211223     -9.067711     10.787329
  C      -9.723977     -8.599009     12.001069
  C      -9.910788     -7.225540     12.183053
  C      -9.587697     -6.331928     11.162661
  C      -8.088639     -4.588639      9.229375
  C      -7.650985     -3.704473      8.246466
  C      -1.688941     -4.728792      6.724285
  C      -3.174606     -4.405912      6.899676
  C      -3.763106     -4.885682      8.249383
  C      -3.166331     -6.174786      8.845189
  C      -3.922533     -6.647936     10.056772
  C      -3.744327     -6.043509     11.311618
  C      -4.488988     -6.446527     12.419107
  C      -5.429954     -7.489740     12.319209
  C      -6.237148     -7.915326     13.482970
  C      -6.584801     -9.266527     13.665147
  C      -7.377593     -9.666257     14.740932
  C      -7.844237     -8.723408     15.662378
  C      -7.505510     -7.376811     15.496896
  C      -6.712193     -6.978341     14.420002
  C      -5.587485     -8.111853     11.068903
  C      -4.859650     -7.686015      9.960652
  H      -0.050774     -3.309570      2.818222
  H      -0.134326     -1.837408      1.828376
  H      -0.535941     -3.403638      1.103462
  H      -2.077461     -1.878901      3.279920
  H      -3.986342     -2.068785      1.620637
  H      -2.811975     -2.513638      0.380373
  H      -1.652662     -0.303758      0.673953
  H      -2.674168      0.039782      2.078718
  H      -5.210134      0.220850      1.743163
  H      -6.968928      1.146591      0.277652
  H      -5.446033      3.015641     -3.504229
  H      -7.212410      3.927476     -4.982220
  H      -9.585565      3.209415     -4.693503
  H     -10.161895      1.554108     -2.916114
  H      -8.387320      0.621447     -1.459534
  H      -4.215281      1.121782     -3.037855
  H      -2.449641      0.218266     -1.557558
  H      -8.584483     -2.886144      1.871600
  H      -7.191949     -1.943083      1.268367
  H      -8.403701     -1.182660      2.325436
  H      -6.421420     -1.612945      3.639470
  H      -8.607161     -3.648681      4.316594
  H      -8.604713     -1.937644      4.726469
  H      -6.841754     -2.157719      6.334510
  H      -6.211329     -3.573420      5.533474
  H      -8.422940     -5.530485      5.486714
  H      -9.203457     -7.094931      7.221024
  H      -8.434696     -8.542079      8.844120
  H      -9.045695    -10.136975     10.639642
  H      -9.964325     -9.297586     12.804618
  H     -10.298584     -6.845807     13.130441
  H      -9.741426     -5.262063     11.314453
  H      -7.957752     -4.328426     10.281411
  H      -7.198417     -2.753219      8.538539
  H      -1.322520     -4.310179      5.775698
  H      -1.095659     -4.293044      7.543447
  H      -1.490552     -5.811104      6.719386
  H      -3.267781     -3.309994      6.899560
  H      -3.623798     -4.081767      8.992189
  H      -4.855162     -4.994247      8.134134
  H      -2.113626     -5.992316      9.117774
  H      -3.148801     -6.983128      8.098748
  H      -3.006193     -5.243779     11.421258
  H      -4.319806     -5.967138     13.385832
  H      -6.221989    -10.010841     12.953922
  H      -7.629976    -10.721905     14.862758
  H      -8.465345     -9.035703     16.504078
  H      -7.871952     -6.629161     16.203510
  H      -6.479868     -5.920403     14.280614
  H      -6.320632     -8.910722     10.952118
  H      -5.026975     -8.169444      8.993998
  N      -4.107554     -1.989571      4.759764
  N      -3.970156     -0.908373      5.151710
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.632138266007
  N      -2.713236     -3.817057      2.944643
  C      -2.519107     -5.026782      2.143565
  C      -3.163285     -6.208436      2.848555
  N      -4.525577     -5.829632      3.318196
  C      -5.512762     -5.784840      2.206267
  C      -6.630021     -4.819156      2.547133
  N      -6.046623     -3.592613      3.084678
  Mo     -4.321377     -3.772087      4.113363
  N      -3.961220     -4.855865      5.753233
  C      -4.219348     -6.290708      5.713611
  C      -5.004016     -6.641983      4.461959
  H      -4.818926     -6.621969      6.583355
  H      -3.274881     -6.869370      5.760708
  H      -6.065195     -6.389091      4.596054
  H      -4.935783     -7.721276      4.231625
  H      -7.197992     -4.623443      1.619786
  H      -7.353647     -5.280749      3.248169
  H      -4.971977     -5.432311      1.317947
  H      -5.892920     -6.800089      1.993631
  H      -1.446745     -5.257052      2.013314
  H      -2.929447     -4.915534      1.118405
  H      -2.582271     -6.473092      3.741777
  H      -3.221015     -7.098581      2.197222
  C      -0.612605     -2.807313      2.004974
  C      -2.067879     -2.594796      2.426055
  C      -2.923785     -1.966385      1.317768
  C      -2.649068     -0.474545      1.077966
  C      -3.698152      0.142147      0.191835
  C      -4.980584      0.414899      0.697129
  C      -5.984088      0.928450     -0.119707
  C      -5.747213      1.193678     -1.482221
  C      -6.812765      1.742377     -2.349398
  C      -6.513764      2.660368     -3.373413
  C      -7.519238      3.179854     -4.189354
  C      -8.849808      2.794775     -4.000506
  C      -9.163361      1.883923     -2.987307
  C      -8.157042      1.364125     -2.172702
  C      -4.463002      0.923789     -1.985981
  C      -3.461225      0.407421     -1.163584
  C      -7.836322     -2.136405      2.134155
  C      -7.012990     -2.512067      3.368649
  C      -7.927967     -2.824650      4.574365
  C      -7.140574     -3.100675      5.856105
  C      -7.722258     -4.014279      6.894056
  C      -8.295077     -5.254946      6.566291
  C      -8.726656     -6.134251      7.558201
  C      -8.610642     -5.807059      8.923731
  C      -9.027575     -6.744699      9.987218
  C      -8.871209     -8.133828      9.829036
  C      -9.203552     -9.015865     10.858329
  C      -9.697015     -8.528600     12.072445
  C      -9.862439     -7.151197     12.243129
  C      -9.537803     -6.272149     11.210845
  C      -8.050126     -4.561013      9.247846
  C      -7.617020     -3.687625      8.253650
  C      -1.668929     -4.701184      6.730469
  C      -3.158235     -4.391492      6.899994
  C      -3.749800     -4.873944      8.247672
  C      -3.147056     -6.156319      8.850783
  C      -3.920758     -6.638798     10.047418
  C      -3.781639     -6.029457     11.304608
  C      -4.545654     -6.442686     12.394995
  C      -5.466967     -7.501015     12.275048
  C      -6.295485     -7.937980     13.419181
  C      -6.628731     -9.293756     13.592557
  C      -7.443432     -9.704636     14.647284
  C      -7.947175     -8.768584     15.555609
  C      -7.622366     -7.417659     15.399240
  C      -6.806763     -7.008062     14.343650
  C      -5.584986     -8.127495     11.022952
  C      -4.838271     -7.691927      9.931510
  H      -0.038311     -3.307600      2.798985
  H      -0.129816     -1.839216      1.804467
  H      -0.529933     -3.408818      1.086588
  H      -2.066382     -1.883648      3.266142
  H      -3.980086     -2.071391      1.616533
  H      -2.814836     -2.524057      0.370641
  H      -1.649497     -0.317962      0.642616
  H      -2.652657      0.034387      2.058194
  H      -5.188838      0.230144      1.754884
  H      -6.962586      1.156263      0.308321
  H      -5.481343      2.987676     -3.511642
  H      -7.263423      3.898643     -4.970502
  H      -9.636835      3.202031     -4.637743
  H     -10.197745      1.568628     -2.835833
  H      -8.408059      0.636084     -1.398566
  H      -4.254343      1.099793     -3.043371
  H      -2.473609      0.195772     -1.582270
  H      -8.572294     -2.911709      1.872641
  H      -7.183084     -1.966652      1.265648
  H      -8.395374     -1.207086      2.322557
  H      -6.408630     -1.630514      3.634433
  H      -8.586052     -3.672124      4.322401
  H      -8.594313     -1.959051      4.722895
  H      -6.823015     -2.157790      6.324912
  H      -6.189152     -3.579387      5.535310
  H      -8.407884     -5.539664      5.517227
  H      -9.184625     -7.083378      7.271738
  H      -8.439214     -8.520277      8.903015
  H      -9.054756    -10.088632     10.719365
  H      -9.938180     -9.215872     12.885146
  H     -10.234392     -6.756995     13.190894
  H      -9.676075     -5.199020     11.353545
  H      -7.913151     -4.290163     10.296266
  H      -7.161320     -2.734427      8.533645
  H      -1.302796     -4.277935      5.784001
  H      -1.083065     -4.261287      7.552488
  H      -1.461151     -5.781527      6.724724
  H      -3.261307     -3.296437      6.896452
  H      -3.623681     -4.067541      8.989796
  H      -4.839385     -4.993211      8.124205
  H      -2.101196     -5.962656      9.140680
  H      -3.108623     -6.963314      8.103864
  H      -3.059733     -5.217551     11.429796
  H      -4.407113     -5.959088     13.364329
  H      -6.237242    -10.032839     12.891319
  H      -7.684294    -10.763541     14.762644
  H      -8.585798     -9.089506     16.380602
  H      -8.017292     -6.675416     16.095923
  H      -6.585927     -5.947065     14.210104
  H      -6.302775     -8.937585     10.890533
  H      -4.975148     -8.179126      8.962154
  N      -4.095238     -1.989643      4.747435
  N      -3.959752     -0.906268      5.132794
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.632970671849
  N      -2.690200     -3.835170      2.923796
  C      -2.493561     -5.044741      2.125333
  C      -3.127761     -6.227495      2.838159
  N      -4.490860     -5.857305      3.306683
  C      -5.478303     -5.822173      2.196680
  C      -6.601367     -4.862178      2.536696
  N      -6.023399     -3.631212      3.066665
  Mo     -4.297483     -3.795038      4.091794
  N      -3.939685     -4.861600      5.741032
  C      -4.177654     -6.299076      5.705320
  C      -4.962464     -6.663023      4.456310
  H      -4.770008     -6.636277      6.577275
  H      -3.225049     -6.864792      5.750428
  H      -6.024228     -6.414038      4.592495
  H      -4.890181     -7.743916      4.234176
  H      -7.174354     -4.673689      1.610873
  H      -7.318707     -5.325992      3.243031
  H      -4.942417     -5.466609      1.306708
  H      -5.852411     -6.840203      1.986069
  H      -1.420535     -5.269924      1.990503
  H      -2.909970     -4.938894      1.101977
  H      -2.542637     -6.482388      3.731474
  H      -3.177892     -7.121249      2.190786
  C      -0.590810     -2.820573      1.984808
  C      -2.046033     -2.612214      2.408273
  C      -2.904065     -1.981044      1.301863
  C      -2.616345     -0.493448      1.050561
  C      -3.680554      0.132338      0.189459
  C      -4.942928      0.428533      0.729668
  C      -5.962542      0.948825     -0.061988
  C      -5.762632      1.197060     -1.433172
  C      -6.846446      1.750441     -2.273996
  C      -6.565463      2.641452     -3.326175
  C      -7.588244      3.164810     -4.117246
  C      -8.918405      2.810849     -3.874668
  C      -9.214084      1.927039     -2.833009
  C      -8.190577      1.403183     -2.043358
  C      -4.497844      0.904833     -1.971768
  C      -3.479541      0.382221     -1.174377
  C      -7.805681     -2.173706      2.098877
  C      -6.989516     -2.549896      3.338486
  C      -7.910568     -2.866894      4.537693
  C      -7.125107     -3.122982      5.824061
  C      -7.709972     -4.023252      6.872187
  C      -8.272404     -5.271989      6.559377
  C      -8.708859     -6.137644      7.560581
  C      -8.608081     -5.789079      8.921307
  C      -9.041892     -6.708719      9.993932
  C      -8.895376     -8.101081      9.857555
  C      -9.254409     -8.965568     10.892081
  C      -9.766916     -8.458013     12.089243
  C      -9.922053     -7.077467     12.238724
  C      -9.569170     -6.215309     11.201669
  C      -8.053278     -4.536698      9.231224
  C      -7.615376     -3.676527      8.227610
  C      -1.658619     -4.669874      6.734520
  C      -3.153263     -4.377444      6.890427
  C      -3.749456     -4.853816      8.239306
  C      -3.143340     -6.127039      8.856964
  C      -3.931296     -6.608308     10.044988
  C      -3.827988     -5.981659     11.296629
  C      -4.599467     -6.401089     12.379029
  C      -5.493529     -7.481480     12.256586
  C      -6.321276     -7.933162     13.395213
  C      -6.622366     -9.295588     13.572416
  C      -7.432722     -9.721722     14.623934
  C      -7.964337     -8.794579     15.524736
  C      -7.670192     -7.437341     15.365391
  C      -6.858336     -7.012580     14.313473
  C      -5.580877     -8.120282     11.008657
  C      -4.825102     -7.680907      9.924931
  H      -0.013639     -3.315085      2.780054
  H      -0.112776     -1.851595      1.779060
  H      -0.508189     -3.425671      1.069077
  H      -2.045028     -1.903326      3.250392
  H      -3.958340     -2.074109      1.610573
  H      -2.808455     -2.545016      0.357380
  H      -1.626260     -0.351540      0.589783
  H      -2.589339      0.018625      2.028431
  H      -5.121549      0.258094      1.794974
  H      -6.924133      1.195212      0.392698
  H      -5.532643      2.945450     -3.506622
  H      -7.345863      3.862427     -4.921286
  H      -9.718948      3.221245     -4.492459
  H     -10.248365      1.635889     -2.639572
  H      -8.428991      0.695283     -1.247149
  H      -4.318294      1.066962     -3.036462
  H      -2.508148      0.152310     -1.619964
  H      -8.536662     -2.951089      1.830643
  H      -7.146735     -1.999879      1.235871
  H      -8.369349     -1.247296      2.285895
  H      -6.386224     -1.669219      3.609215
  H      -8.553670     -3.725786      4.286534
  H      -8.590762     -2.010789      4.676503
  H      -6.814945     -2.171633      6.280785
  H      -6.168673     -3.602752      5.514950
  H      -8.373385     -5.573981      5.514017
  H      -9.161087     -7.092349      7.284364
  H      -8.452837     -8.504411      8.944306
  H      -9.113375    -10.041320     10.770249
  H     -10.028599     -9.131778     12.906336
  H     -10.308035     -6.667493     13.173935
  H      -9.704046     -5.139587     11.326275
  H      -7.927095     -4.249074     10.276315
  H      -7.166560     -2.717246      8.497072
  H      -1.290023     -4.242045      5.791321
  H      -1.085557     -4.222923      7.561428
  H      -1.438241     -5.747466      6.730205
  H      -3.270171     -3.283834      6.875013
  H      -3.634756     -4.040981      8.975650
  H      -4.836532     -4.981816      8.108942
  H      -2.103204     -5.923042      9.159182
  H      -3.088768     -6.937719      8.115342
  H      -3.125281     -5.153970     11.425331
  H      -4.484486     -5.906861     13.345878
  H      -6.207261    -10.028222     12.878206
  H      -7.648432    -10.785478     14.742551
  H      -8.600139     -9.127294     16.347013
  H      -8.086281     -6.702191     16.057010
  H      -6.661765     -5.947330     14.177546
  H      -6.278891     -8.946944     10.874286
  H      -4.933544     -8.181843      8.959252
  N      -4.083185     -2.000982      4.719477
  N      -3.951772     -0.914957      5.095953
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.633492871275
  N      -2.659537     -3.843067      2.905960
  C      -2.461094     -5.054366      2.110888
  C      -3.086439     -6.237571      2.831580
  N      -4.450224     -5.874125      3.301416
  C      -5.440704     -5.848328      2.194908
  C      -6.567877     -4.892894      2.536432
  N      -5.993188     -3.657231      3.057824
  Mo     -4.264280     -3.805219      4.077111
  N      -3.909159     -4.857791      5.734697
  C      -4.129072     -6.298096      5.702807
  C      -4.914699     -6.673815      4.457431
  H      -4.714054     -6.640460      6.577079
  H      -3.169291     -6.852041      5.745636
  H      -5.976886     -6.428045      4.596152
  H      -4.839187     -7.756170      4.242836
  H      -7.147561     -4.711387      1.613372
  H      -7.278070     -5.357990      3.249329
  H      -4.910867     -5.491339      1.301961
  H      -5.809941     -6.869000      1.987883
  H      -1.387689     -5.275286      1.971256
  H      -2.883387     -4.954610      1.089283
  H      -2.496887     -6.484125      3.724268
  H      -3.131156     -7.134756      2.188205
  C      -0.563732     -2.824673      1.960317
  C      -2.018104     -2.619965      2.388368
  C      -2.881478     -1.990937      1.284290
  C      -2.589413     -0.506273      1.020468
  C      -3.670357      0.121286      0.181932
  C      -4.915988      0.430020      0.752576
  C      -5.952969      0.949465     -0.016382
  C      -5.788233      1.183946     -1.394438
  C      -6.891543      1.734143     -2.211578
  C      -6.634525      2.605951     -3.285612
  C      -7.675717      3.125445     -4.054605
  C      -9.000848      2.786811     -3.767678
  C      -9.272836      1.922147     -2.703978
  C      -8.231005      1.402090     -1.936431
  C      -4.539721      0.879854     -1.963403
  C      -3.503739      0.358241     -1.188664
  C      -7.771457     -2.201809      2.075477
  C      -6.959739     -2.574694      3.319165
  C      -7.883152     -2.892161      4.516273
  C      -7.097097     -3.128621      5.805756
  C      -7.682318     -4.013282      6.867554
  C      -8.237654     -5.270064      6.575627
  C      -8.682151     -6.115941      7.590317
  C      -8.596841     -5.739148      8.944329
  C      -9.051922     -6.631955     10.031389
  C      -8.915867     -8.028565      9.930396
  C      -9.304022     -8.865152     10.976917
  C      -9.837214     -8.325919     12.150467
  C      -9.982649     -6.941386     12.264680
  C      -9.599131     -6.106563     11.216348
  C      -8.044010     -4.480764      9.233529
  C      -7.598040     -3.640417      8.216746
  C      -1.639365     -4.629799      6.745347
  C      -3.139538     -4.359172      6.889274
  C      -3.741926     -4.840862      8.234106
  C      -3.129305     -6.105828      8.860906
  C      -3.935792     -6.598341     10.031981
  C      -3.880390     -5.962179     11.281488
  C      -4.665185     -6.397443     12.347702
  C      -5.525909     -7.502478     12.211156
  C      -6.362169     -7.974576     13.335092
  C      -6.630571     -9.344106     13.508815
  C      -7.445883     -9.790635     14.547703
  C      -8.015078     -8.877301     15.439162
  C      -7.753203     -7.513227     15.283512
  C      -6.936391     -7.068101     14.244269
  C      -5.568299     -8.148082     10.964477
  C      -4.798349     -7.694478      9.896469
  H       0.018040     -3.312451      2.756270
  H      -0.090680     -1.855008      1.747223
  H      -0.482452     -3.434477      1.047712
  H      -2.016514     -1.910678      3.230176
  H      -3.933242     -2.076907      1.603082
  H      -2.797002     -2.561540      0.342900
  H      -1.609318     -0.372688      0.536691
  H      -2.537462      0.009537      1.995213
  H      -5.067159      0.269854      1.823630
  H      -6.900453      1.205739      0.461609
  H      -5.605307      2.898800     -3.501065
  H      -7.451383      3.808120     -4.876420
  H      -9.815794      3.194227     -4.368258
  H     -10.303227      1.642794     -2.475862
  H      -8.452111      0.708064     -1.123335
  H      -4.387521      1.030614     -3.033892
  H      -2.546077      0.118227     -1.657828
  H      -8.498424     -2.981866      1.804499
  H      -7.108887     -2.026362      1.215718
  H      -8.339122     -1.277447      2.259598
  H      -6.357547     -1.693503      3.590355
  H      -8.514535     -3.760876      4.269506
  H      -8.574539     -2.043767      4.646647
  H      -6.791523     -2.169039      6.248469
  H      -6.138088     -3.610280      5.507004
  H      -8.328671     -5.593317      5.535661
  H      -9.131749     -7.076013      7.329061
  H      -8.460115     -8.457604      9.035997
  H      -9.170371     -9.944607     10.883097
  H     -10.120894     -8.978049     12.977437
  H     -10.385378     -6.506573     13.181293
  H      -9.729765     -5.027391     11.312422
  H      -7.929223     -4.170924     10.273523
  H      -7.154462     -2.674587      8.470866
  H      -1.268970     -4.191625      5.807728
  H      -1.080011     -4.179145      7.579518
  H      -1.403683     -5.704015      6.737021
  H      -3.272206     -3.267434      6.870212
  H      -3.644595     -4.025325      8.969628
  H      -4.825782     -4.982079      8.092682
  H      -2.097805     -5.888827      9.182755
  H      -3.049630     -6.914497      8.119503
  H      -3.203178     -5.115633     11.422578
  H      -4.584919     -5.896428     13.314483
  H      -6.184180    -10.066468     12.823354
  H      -7.635588    -10.859509     14.664023
  H      -8.654974     -9.225871     16.251568
  H      -8.198554     -6.788792     15.968096
  H      -6.765470     -5.998241     14.110780
  H      -6.240735     -8.993900     10.818786
  H      -4.868631     -8.203626      8.931639
  N      -4.057705     -2.002590      4.696053
  N      -3.928104     -0.913603      5.063371
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.634011374797
  N      -2.636081     -3.853566      2.889138
  C      -2.434087     -5.065421      2.095649
  C      -3.053830     -6.249955      2.820009
  N      -4.418918     -5.892459      3.289029
  C      -5.409757     -5.872951      2.183499
  C      -6.541215     -4.921660      2.525259
  N      -5.970457     -3.682617      3.042786
  Mo     -4.241136     -3.819028      4.060075
  N      -3.893037     -4.861215      5.724822
  C      -4.095458     -6.304379      5.693184
  C      -4.879231     -6.689042      4.448636
  H      -4.674795     -6.653884      6.568057
  H      -3.128926     -6.846998      5.733670
  H      -5.942016     -6.446706      4.588438
  H      -4.799971     -7.772297      4.239442
  H      -7.124884     -4.744828      1.603846
  H      -7.246288     -5.389218      3.241804
  H      -4.883580     -5.512972      1.289641
  H      -5.774626     -6.895387      1.977079
  H      -1.360158     -5.282843      1.954137
  H      -2.859104     -4.969431      1.074768
  H      -2.462069     -6.490423      3.712848
  H      -3.092394     -7.149059      2.178643
  C      -0.540326     -2.831802      1.943452
  C      -1.994498     -2.629977      2.373579
  C      -2.859687     -1.999035      1.271216
  C      -2.562746     -0.516294      1.001146
  C      -3.656879      0.115423      0.183141
  C      -4.887844      0.433371      0.779484
  C      -5.938934      0.953819      0.030957
  C      -5.803725      1.180072     -1.351458
  C      -6.922935      1.729280     -2.147277
  C      -6.686940      2.589309     -3.235385
  C      -7.743209      3.106873     -3.984591
  C      -9.062781      2.778012     -3.663459
  C      -9.313952      1.925128     -2.585444
  C      -8.257116      1.407017     -1.837642
  C      -4.569428      0.867485     -1.946034
  C      -3.519143      0.344747     -1.191788
  C      -7.743879     -2.228488      2.045893
  C      -6.938649     -2.600036      3.294347
  C      -7.866632     -2.920017      4.487234
  C      -7.082557     -3.138734      5.780583
  C      -7.672266     -4.009941      6.851155
  C      -8.213183     -5.275854      6.573384
  C      -8.665829     -6.107738      7.595687
  C      -8.604145     -5.707291      8.943650
  C      -9.074391     -6.583381     10.037810
  C      -8.928096     -7.980651      9.966105
  C      -9.334345     -8.799519     11.019415
  C      -9.897751     -8.242187     12.169767
  C     -10.055021     -6.857076     12.253944
  C      -9.651704     -6.039499     11.199612
  C      -8.063762     -4.440305      9.219364
  C      -7.608919     -3.613975      8.194951
  C      -1.634907     -4.603905      6.752495
  C      -3.139443     -4.350349      6.884936
  C      -3.744824     -4.833854      8.228260
  C      -3.127983     -6.094080      8.860147
  C      -3.941435     -6.591754     10.024600
  C      -3.910029     -5.946892     11.270175
  C      -4.697650     -6.388822     12.331229
  C      -5.539572     -7.507487     12.193201
  C      -6.376798     -7.987287     13.313098
  C      -6.633528     -9.359165     13.485298
  C      -7.448167     -9.813550     14.521126
  C      -8.027407     -8.905875     15.411507
  C      -7.776932     -7.539674     15.257400
  C      -6.961558     -7.086673     14.220769
  C      -5.560767     -8.159699     10.949564
  C      -4.785723     -7.701797      9.886727
  H       0.043449     -3.316639      2.739648
  H      -0.070473     -1.861336      1.727699
  H      -0.459366     -3.443154      1.031977
  H      -1.993047     -1.922185      3.216729
  H      -3.909826     -2.079395      1.596282
  H      -2.782672     -2.572891      0.331328
  H      -1.591315     -0.389214      0.498772
  H      -2.490143     -0.000073      1.974189
  H      -5.016219      0.278516      1.854215
  H      -6.874241      1.216941      0.528602
  H      -5.661856      2.875079     -3.477923
  H      -7.534807      3.780327     -4.818046
  H      -9.889513      3.183934     -4.248642
  H     -10.340030      1.653418     -2.330510
  H      -8.463051      0.721349     -1.013646
  H      -4.440079      1.011468     -3.020367
  H      -2.573482      0.097449     -1.680926
  H      -8.466203     -3.010929      1.769800
  H      -7.076227     -2.049919      1.190851
  H      -8.315804     -1.306525      2.227885
  H      -6.338649     -1.718378      3.568673
  H      -8.485087     -3.798481      4.242605
  H      -8.569703     -2.080123      4.609480
  H      -6.783273     -2.171838      6.211891
  H      -6.120248     -3.621975      5.493016
  H      -8.285968     -5.617768      5.537881
  H      -9.103937     -7.075694      7.344291
  H      -8.449851     -8.423632      9.090628
  H      -9.190846     -9.879475     10.949918
  H     -10.194244     -8.880488     13.002880
  H     -10.482606     -6.407722     13.152091
  H      -9.792775     -4.959740     11.271611
  H      -7.966939     -4.111743     10.255438
  H      -7.176463     -2.640592      8.438978
  H      -1.262550     -4.158314      5.819254
  H      -1.087332     -4.149818      7.592523
  H      -1.387498     -5.675372      6.742058
  H      -3.284829     -3.260337      6.861401
  H      -3.656486     -4.016141      8.962169
  H      -4.826794     -4.982469      8.081811
  H      -2.100767     -5.870079      9.190505
  H      -3.036667     -6.901878      8.119219
  H      -3.248072     -5.088819     11.413120
  H      -4.634439     -5.881019     13.295648
  H      -6.177023    -10.077535     12.802311
  H      -7.628514    -10.884067     14.636530
  H      -8.666682     -9.260409     16.221756
  H      -8.230617     -6.819638     15.941064
  H      -6.800487     -6.015299     14.088176
  H      -6.219686     -9.015830     10.802972
  H      -4.836996     -8.218044      8.924561
  N      -4.042204     -2.008140      4.675742
  N      -3.914597     -0.917694      5.036794
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.634713746043
  N      -2.602796     -3.869355      2.860029
  C      -2.398386     -5.081324      2.066511
  C      -3.009911     -6.268060      2.795786
  N      -4.374844     -5.917169      3.269215
  C      -5.370140     -5.904648      2.167961
  C      -6.505850     -4.957968      2.513863
  N      -5.938230     -3.714871      3.026675
  Mo     -4.205111     -3.839261      4.035679
  N      -3.863261     -4.869080      5.708679
  C      -4.042086     -6.316079      5.676493
  C      -4.825691     -6.712172      4.434010
  H      -4.612048     -6.675586      6.553001
  H      -3.066591     -6.843392      5.711040
  H      -5.889125     -6.475680      4.578712
  H      -4.740562     -7.796173      4.230647
  H      -7.097043     -4.786193      1.596436
  H      -7.202113     -5.429282      3.236793
  H      -4.851602     -5.540221      1.271391
  H      -5.730981     -6.928790      1.962855
  H      -1.324323     -5.294830      1.919904
  H      -2.829474     -4.988660      1.047758
  H      -2.412171     -6.501840      3.686482
  H      -3.043221     -7.168653      2.155984
  C      -0.508757     -2.844568      1.908129
  C      -1.960992     -2.645287      2.346285
  C      -2.830973     -2.009199      1.249208
  C      -2.529553     -0.527879      0.974316
  C      -3.641688      0.109647      0.185417
  C      -4.853279      0.435666      0.815660
  C      -5.923458      0.956731      0.095381
  C      -5.827479      1.175708     -1.291220
  C      -6.968224      1.722732     -2.057355
  C      -6.762682      2.574533     -3.157828
  C      -7.839539      3.088863     -3.879275
  C      -9.149590      2.764762     -3.517407
  C      -9.370493      1.920098     -2.426543
  C      -8.293144      1.405294     -1.706403
  C      -4.611898      0.856459     -1.919535
  C      -3.542328      0.332788     -1.193687
  C      -7.709635     -2.262297      2.018817
  C      -6.908305     -2.632739      3.270412
  C      -7.838799     -2.955291      4.461835
  C      -7.054122     -3.153452      5.758005
  C      -7.649558     -4.008863      6.838460
  C      -8.173919     -5.284665      6.575976
  C      -8.638047     -6.100972      7.605273
  C      -8.603673     -5.675219      8.945802
  C      -9.093291     -6.533648     10.045439
  C      -8.941927     -7.931330     10.002367
  C      -9.373758     -8.732114     11.059168
  C      -9.969818     -8.156425     12.183326
  C     -10.133705     -6.770751     12.237871
  C      -9.702887     -5.970704     11.181052
  C      -8.077226     -4.399191      9.207411
  C      -7.611818     -3.587653      8.175617
  C      -1.622690     -4.574713      6.763527
  C      -3.133064     -4.343168      6.877300
  C      -3.744996     -4.827572      8.217798
  C      -3.124105     -6.080695      8.859935
  C      -3.949229     -6.582924     10.014856
  C      -3.951087     -5.923994     11.253153
  C      -4.747528     -6.368835     12.306010
  C      -5.568256     -7.502439     12.166740
  C      -6.412983     -7.984798     13.280168
  C      -6.654442     -9.358529     13.459624
  C      -7.471625     -9.816118     14.491959
  C      -8.067768     -8.909754     15.372134
  C      -7.832840     -7.541823     15.210462
  C      -7.015640     -7.085603     14.176904
  C      -5.559232     -8.166587     10.929293
  C      -4.772316     -7.708609      9.874719
  H       0.079509     -3.328859      2.701380
  H      -0.042553     -1.872917      1.690387
  H      -0.432359     -3.455527      0.996051
  H      -1.955741     -1.940215      3.191951
  H      -3.878204     -2.084382      1.584020
  H      -2.764048     -2.584797      0.309740
  H      -1.570662     -0.407226      0.447101
  H      -2.429906     -0.013221      1.945636
  H      -4.951685      0.284530      1.894100
  H      -6.843024      1.225256      0.618762
  H      -5.744823      2.856921     -3.432624
  H      -7.654515      3.755856     -4.723388
  H      -9.992410      3.168141     -4.081021
  H     -10.389147      1.652359     -2.139606
  H      -8.476610      0.725395     -0.872320
  H      -4.512716      0.994867     -2.997826
  H      -2.612404      0.079415     -1.709181
  H      -8.427637     -3.047383      1.739129
  H      -7.038440     -2.080367      1.167289
  H      -8.285393     -1.342807      2.200455
  H      -6.310372     -1.750287      3.546900
  H      -8.441762     -3.845639      4.221757
  H      -8.555593     -2.126079      4.576573
  H      -6.761789     -2.178251      6.175772
  H      -6.089259     -3.638826      5.480665
  H      -8.224792     -5.647018      5.545946
  H      -9.062886     -7.077581      7.364513
  H      -8.440862     -8.388620      9.147399
  H      -9.224706     -9.812573     11.013918
  H     -10.285490     -8.780893     13.019787
  H     -10.589869     -6.306551     13.114274
  H      -9.851304     -4.890442     11.228410
  H      -8.002278     -4.050286     10.238777
  H      -7.192083     -2.606126      8.409032
  H      -1.246331     -4.120964      5.835852
  H      -1.092180     -4.115128      7.611490
  H      -1.360838     -5.642671      6.752412
  H      -3.294742     -3.255610      6.847344
  H      -3.670028     -4.005721      8.948181
  H      -4.824126     -4.986493      8.062768
  H      -2.103855     -5.846615      9.204217
  H      -3.016144     -6.888286      8.121042
  H      -3.307305     -5.052522     11.397594
  H      -4.708505     -5.849714     13.265635
  H      -6.181209    -10.076353     12.787449
  H      -7.639358    -10.887981     14.613641
  H      -8.708851     -9.266550     16.179987
  H      -8.300481     -6.822929     15.885881
  H      -6.867471     -6.013217     14.038290
  H      -6.203334     -9.033937     10.781818
  H      -4.797587     -8.235898      8.917509
  N      -4.013747     -2.016418      4.650439
  N      -3.887921     -0.925243      5.004941
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.635390688424
  N      -2.561853     -3.890583      2.819156
  C      -2.357281     -5.101363      2.022623
  C      -2.959934     -6.291216      2.755870
  N      -4.322560     -5.945664      3.239213
  C      -5.326131     -5.937117      2.145293
  C      -6.464865     -4.995134      2.500762
  N      -5.898686     -3.749163      3.011072
  Mo     -4.158212     -3.865922      4.004403
  N      -3.822081     -4.885278      5.684226
  C      -3.975429     -6.336025      5.649065
  C      -4.760411     -6.742533      4.408834
  H      -4.533774     -6.707446      6.527725
  H      -2.990586     -6.846888      5.674004
  H      -5.824366     -6.513364      4.561697
  H      -4.668207     -7.826658      4.209379
  H      -7.066251     -4.826088      1.589726
  H      -7.149474     -5.472196      3.231222
  H      -4.818158     -5.565846      1.245348
  H      -5.684517     -6.962036      1.940230
  H      -1.283728     -5.311654      1.868078
  H      -2.797037     -5.009534      1.007362
  H      -2.353214     -6.520099      3.641965
  H      -2.990806     -7.191835      2.115893
  C      -0.470901     -2.863290      1.856098
  C      -1.919432     -2.665881      2.307878
  C      -2.796620     -2.020808      1.220001
  C      -2.491496     -0.539927      0.943937
  C      -3.624544      0.105893      0.191880
  C      -4.813150      0.437074      0.861630
  C      -5.905482      0.959035      0.176125
  C      -5.855219      1.174196     -1.213292
  C      -7.021047      1.718613     -1.942708
  C      -6.853012      2.569024     -3.050366
  C      -7.953946      3.079709     -3.737282
  C      -9.250767      2.752907     -3.332858
  C      -9.434279      1.909489     -2.234201
  C      -8.332923      1.398473     -1.548430
  C      -4.661742      0.851984     -1.880873
  C      -3.569885      0.326882     -1.189994
  C      -7.669305     -2.293979      2.000257
  C      -6.869558     -2.667428      3.252360
  C      -7.801153     -2.993567      4.443705
  C      -7.015447     -3.175259      5.742124
  C      -7.621488     -4.018712      6.826621
  C      -8.130214     -5.301615      6.568945
  C      -8.612628     -6.108538      7.596481
  C      -8.609656     -5.667726      8.931917
  C      -9.127142     -6.517067     10.025907
  C      -8.979990     -7.915129      9.994752
  C      -9.448284     -8.708668     11.041383
  C     -10.078413     -8.125143     12.142440
  C     -10.239225     -6.738590     12.184088
  C      -9.770315     -5.945339     11.138214
  C      -8.095090     -4.386026      9.190740
  C      -7.614110     -3.581999      8.159413
  C      -1.602624     -4.558188      6.773047
  C      -3.118323     -4.344151      6.862084
  C      -3.740531     -4.822320      8.200203
  C      -3.122875     -6.069880      8.856970
  C      -3.959865     -6.565143     10.006985
  C      -3.982072     -5.887651     11.234922
  C      -4.786620     -6.323137     12.285160
  C      -5.599431     -7.462841     12.152727
  C      -6.449983     -7.935132     13.266434
  C      -6.689608     -9.307327     13.459815
  C      -7.505778     -9.755722     14.497073
  C      -8.101455     -8.841287     15.369100
  C      -7.869378     -7.474812     15.192568
  C      -7.054223     -7.027736     14.153484
  C      -5.574008     -8.142611     10.923997
  C      -4.774686     -7.697476      9.872818
  H       0.123992     -3.350574      2.642705
  H      -0.008201     -1.890013      1.638392
  H      -0.403215     -3.470866      0.941053
  H      -1.906342     -1.965182      3.157475
  H      -3.839912     -2.092310      1.566912
  H      -2.741299     -2.595398      0.279223
  H      -1.548702     -0.424478      0.387461
  H      -2.359816     -0.030036      1.913860
  H      -4.876783      0.286532      1.942870
  H      -6.806730      1.230137      0.729314
  H      -5.845297      2.853474     -3.358714
  H      -7.798030      3.745604     -4.588219
  H     -10.112391      3.153307     -3.869683
  H     -10.442572      1.639993     -1.913951
  H      -8.488074      0.719204     -0.707933
  H      -4.597622      0.987998     -2.962243
  H      -2.658467      0.070190     -1.736141
  H      -8.384773     -3.080147      1.716981
  H      -6.996143     -2.107830      1.151122
  H      -8.246882     -1.376395      2.185327
  H      -6.272292     -1.785413      3.532086
  H      -8.388186     -3.895430      4.207266
  H      -8.531439     -2.175616      4.553457
  H      -6.729330     -2.193726      6.149869
  H      -6.049641     -3.663180      5.472400
  H      -8.155479     -5.676983      5.542435
  H      -9.025414     -7.090957      7.357993
  H      -8.456103     -8.378884      9.157161
  H      -9.301722     -9.789906     11.007242
  H     -10.423198     -8.744603     12.971228
  H     -10.726609     -6.267871     13.040155
  H      -9.919058     -4.864486     11.173192
  H      -8.045398     -4.024910     10.219642
  H      -7.206013     -2.594995      8.390707
  H      -1.218423     -4.100559      5.850425
  H      -1.090711     -4.092074      7.628891
  H      -1.330566     -5.623599      6.765500
  H      -3.293460     -3.259025      6.821631
  H      -3.674459     -3.994293      8.924108
  H      -4.817658     -4.986072      8.036761
  H      -2.107956     -5.830294      9.212683
  H      -3.005715     -6.881155      8.123457
  H      -3.346162     -5.009532     11.374011
  H      -4.761096     -5.790268     13.237704
  H      -6.212681    -10.031883     12.797302
  H      -7.671385    -10.826594     14.630293
  H      -8.741216     -9.190674     16.181330
  H      -8.337906     -6.749824     15.860933
  H      -6.908756     -5.956467     14.003815
  H      -6.213656     -9.014446     10.782264
  H      -4.784048     -8.238771      8.923055
  N      -3.972089     -2.030802      4.624604
  N      -3.847176     -0.940251      4.975865
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.635896974019
  N      -2.518805     -3.919368      2.766725
  C      -2.314743     -5.130082      1.969870
  C      -2.903696     -6.321939      2.711888
  N      -4.262107     -5.982853      3.209467
  C      -5.277799     -5.983449      2.127285
  C      -6.419720     -5.047958      2.493998
  N      -5.856289     -3.797119      2.996203
  Mo     -4.104800     -3.899921      3.966306
  N      -3.770101     -4.902558      5.654948
  C      -3.894207     -6.356522      5.621412
  C      -4.680862     -6.779481      4.386560
  H      -4.439354     -6.737816      6.503745
  H      -2.899343     -6.848473      5.637721
  H      -5.745772     -6.561386      4.548931
  H      -4.577575     -7.863649      4.193405
  H      -7.034509     -4.885335      1.591060
  H      -7.089038     -5.529962      3.235393
  H      -4.784412     -5.607275      1.221196
  H      -5.632307     -7.010510      1.926827
  H      -1.241900     -5.335454      1.804782
  H      -2.766301     -5.042574      0.959343
  H      -2.284555     -6.542819      3.591621
  H      -2.933610     -7.224179      2.074157
  C      -0.435027     -2.889764      1.785408
  C      -1.878233     -2.694228      2.255178
  C      -2.766036     -2.040442      1.179835
  C      -2.456900     -0.560152      0.902034
  C      -3.611496      0.096770      0.193066
  C      -4.771601      0.435694      0.907189
  C      -5.886369      0.962709      0.262912
  C      -5.887626      1.175881     -1.127615
  C      -7.078440      1.723033     -1.813452
  C      -6.949817      2.575445     -2.924680
  C      -8.074585      3.087788     -3.570569
  C      -9.356122      2.760378     -3.120576
  C      -9.500382      1.914904     -2.017701
  C      -8.375251      1.402381     -1.372802
  C      -4.721728      0.847927     -1.839419
  C      -3.607263      0.317385     -1.189882
  C      -7.631425     -2.346721      1.983717
  C      -6.828966     -2.717073      3.235163
  C      -7.757628     -3.042818      4.429816
  C      -6.968148     -3.203286      5.729181
  C      -7.580363     -4.032353      6.821912
  C      -8.074281     -5.323485      6.576969
  C      -8.569172     -6.117316      7.608368
  C      -8.589821     -5.656578      8.936674
  C      -9.129220     -6.491362     10.031456
  C      -8.992665     -7.890543     10.015823
  C      -9.493866     -8.671305     11.056601
  C     -10.147752     -8.073632     12.135840
  C     -10.297884     -6.685620     12.161934
  C      -9.794861     -5.904707     11.122492
  C      -8.085593     -4.368564      9.184242
  C      -7.595696     -3.575884      8.147958
  C      -1.579346     -4.532963      6.789403
  C      -3.100444     -4.340940      6.842609
  C      -3.741979     -4.809995      8.174523
  C      -3.122135     -6.041181      8.860518
  C      -3.979395     -6.532131      9.997776
  C      -4.052166     -5.826546     11.207762
  C      -4.875629     -6.256132     12.245486
  C      -5.658374     -7.417201     12.118298
  C      -6.523814     -7.885041     13.222561
  C      -6.723612     -9.258212     13.450870
  C      -7.545050     -9.703389     14.485377
  C      -8.187149     -8.784306     15.318630
  C      -7.996893     -7.416694     15.105559
  C      -7.175421     -6.972975     14.070170
  C      -5.584702     -8.123042     10.906308
  C      -4.765334     -7.685031      9.867481
  H       0.168826     -3.380604      2.563021
  H       0.023782     -1.914827      1.567110
  H      -0.378721     -3.493211      0.866868
  H      -1.854380     -1.997553      3.108134
  H      -3.804185     -2.108044      1.542038
  H      -2.725443     -2.613744      0.237591
  H      -1.533664     -0.450588      0.312695
  H      -2.287724     -0.056190      1.869168
  H      -4.795448      0.285262      1.990080
  H      -6.764763      1.238361      0.849656
  H      -5.953789      2.860169     -3.268831
  H      -7.949207      3.755072     -4.425514
  H     -10.236357      3.161914     -3.625500
  H     -10.496677      1.645244     -1.661870
  H      -8.500671      0.721543     -0.528573
  H      -4.697281      0.983121     -2.922580
  H      -2.718589      0.055978     -1.770282
  H      -8.344610     -3.135698      1.702384
  H      -6.959421     -2.159331      1.133960
  H      -8.211073     -1.430819      2.170162
  H      -6.232889     -1.833616      3.512978
  H      -8.329003     -3.956796      4.201989
  H      -8.501123     -2.236130      4.533356
  H      -6.688888     -2.214101      6.123421
  H      -6.001965     -3.693270      5.466175
  H      -8.078975     -5.715789      5.556379
  H      -8.971235     -7.106225      7.378494
  H      -8.454571     -8.365985      9.193903
  H      -9.355936     -9.754051     11.035307
  H     -10.520216     -8.683795     12.959511
  H     -10.807700     -6.203903     12.998667
  H      -9.938296     -4.822694     11.142986
  H      -8.054428     -3.991694     10.208333
  H      -7.197670     -2.582814      8.370919
  H      -1.182427     -4.074560      5.872509
  H      -1.093421     -4.055164      7.653877
  H      -1.293856     -5.594894      6.792350
  H      -3.291217     -3.259243      6.786089
  H      -3.699826     -3.971038      8.887324
  H      -4.813634     -4.989439      7.992949
  H      -2.119948     -5.782018      9.237839
  H      -2.977767     -6.859405      8.139758
  H      -3.440923     -4.930496     11.343092
  H      -4.887951     -5.701047     13.185534
  H      -6.207612     -9.985758     12.821603
  H      -7.678051    -10.774880     14.647316
  H      -8.831288     -9.130985     16.128626
  H      -8.502389     -6.688673     15.743053
  H      -7.062148     -5.902158     13.892265
  H      -6.202713     -9.011132     10.767896
  H      -4.735269     -8.247794      8.930689
  N      -3.925243     -2.053276      4.584921
  N      -3.802305     -0.962023      4.929630
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.636248588718
  N      -2.467145     -3.945962      2.714527
  C      -2.260733     -5.156667      1.918446
  C      -2.835911     -6.350756      2.668316
  N      -4.191065     -6.018705      3.177714
  C      -5.216846     -6.027769      2.105639
  C      -6.363148     -5.101186      2.483536
  N      -5.805083     -3.845864      2.980644
  Mo     -4.043171     -3.934047      3.927352
  N      -3.710666     -4.922719      5.623050
  C      -3.808919     -6.378852      5.591118
  C      -4.593622     -6.816957      4.359789
  H      -4.343569     -6.768307      6.476100
  H      -2.805882     -6.854342      5.601557
  H      -5.660172     -6.611701      4.528323
  H      -4.476977     -7.900407      4.171066
  H      -6.989467     -4.944108      1.587852
  H      -7.018164     -5.589833      3.233329
  H      -4.736387     -5.645668      1.195026
  H      -5.565846     -7.057182      1.908135
  H      -1.188121     -5.355605      1.744970
  H      -2.721953     -5.074660      0.911774
  H      -2.206085     -6.563124      3.542877
  H      -2.864061     -7.254796      2.033142
  C      -0.394699     -2.909730      1.711922
  C      -1.832137     -2.719072      2.201358
  C      -2.734059     -2.060091      1.140212
  C      -2.425503     -0.579729      0.859343
  C      -3.603491      0.086500      0.198582
  C      -4.730535      0.432776      0.960469
  C      -5.868963      0.964125      0.362727
  C      -5.927697      1.174705     -1.026913
  C      -7.144612      1.723990     -1.663608
  C      -7.059865      2.580128     -2.776073
  C      -8.209365      3.093707     -3.375891
  C      -9.472149      2.763515     -2.877504
  C      -9.572733      1.914173     -1.772748
  C      -8.422905      1.400582     -1.173774
  C      -4.794022      0.841250     -1.786474
  C      -3.655594      0.306293     -1.183485
  C      -7.584848     -2.401972      1.966153
  C      -6.780879     -2.768616      3.217763
  C      -7.707537     -3.094465      4.413836
  C      -6.918089     -3.236709      5.716095
  C      -7.540300     -4.055328      6.811775
  C      -8.017836     -5.353832      6.573037
  C      -8.532265     -6.137497      7.602074
  C      -8.587139     -5.660290      8.923541
  C      -9.157761     -6.483914     10.011208
  C      -9.027496     -7.883584     10.008527
  C      -9.568981     -8.656364     11.034793
  C     -10.258304     -8.049754     12.086546
  C     -10.401278     -6.660915     12.100376
  C      -9.857084     -5.887667     11.075778
  C      -8.094636     -4.366896      9.166633
  C      -7.587078     -3.583198      8.131490
  C      -1.545998     -4.527507      6.798831
  C      -3.069673     -4.344565      6.817799
  C      -3.733116     -4.799787      8.143385
  C      -3.123445     -6.022486      8.854394
  C      -3.998397     -6.497898      9.984784
  C      -4.093758     -5.770700     11.180392
  C      -4.930933     -6.185947     12.212756
  C      -5.706797     -7.352482     12.093850
  C      -6.584180     -7.804786     13.195074
  C      -6.777568     -9.174401     13.448333
  C      -7.604705     -9.604319     14.484898
  C      -8.258615     -8.672929     15.295123
  C      -8.075561     -7.308744     15.056213
  C      -7.248785     -6.880376     14.018753
  C      -5.612529     -8.078235     10.895093
  C      -4.777731     -7.655871      9.862094
  H       0.220085     -3.403446      2.479134
  H       0.058325     -1.932165      1.493368
  H      -0.349435     -3.508092      0.789452
  H      -1.797843     -2.025676      3.056856
  H      -3.766132     -2.126479      1.519253
  H      -2.708487     -2.632440      0.196903
  H      -1.525464     -0.473656      0.234653
  H      -2.215897     -0.081642      1.821580
  H      -4.709573      0.283591      2.043580
  H      -6.720878      1.243978      0.985471
  H      -6.078228      2.866540     -3.158172
  H      -8.117995      3.763730     -4.233032
  H     -10.371708      3.165752     -3.346590
  H     -10.554249      1.642460     -1.379324
  H      -8.514929      0.716896     -0.327552
  H      -4.814250      0.975049     -2.869923
  H      -2.793317      0.040598     -1.800635
  H      -8.295697     -3.193636      1.686323
  H      -6.913437     -2.213751      1.116128
  H      -8.166686     -1.487591      2.152847
  H      -6.187035     -1.883241      3.494301
  H      -8.264316     -4.018977      4.192669
  H      -8.463056     -2.298265      4.510689
  H      -6.646744     -2.241350      6.100359
  H      -5.951025     -3.727335      5.461268
  H      -7.995914     -5.759665      5.557946
  H      -8.923105     -7.131526      7.375257
  H      -8.465371     -8.366459      9.207292
  H      -9.436663     -9.740003     11.023827
  H     -10.665125     -8.654011     12.898292
  H     -10.941036     -6.172628     12.914118
  H      -9.997147     -4.805051     11.084571
  H      -8.089373     -3.977184     10.186422
  H      -7.201128     -2.584597      8.351156
  H      -1.133242     -4.075249      5.885771
  H      -1.080971     -4.039355      7.668867
  H      -1.256533     -5.588208      6.816104
  H      -3.266753     -3.265179      6.743975
  H      -3.703783     -3.952169      8.846403
  H      -4.801457     -4.982852      7.946364
  H      -2.128147     -5.756813      9.245109
  H      -2.968291     -6.849582      8.146194
  H      -3.488741     -4.869472     11.309062
  H      -4.960187     -5.614471     13.142568
  H      -6.250809     -9.911017     12.838668
  H      -7.732398    -10.673228     14.667007
  H      -8.906814     -9.007616     16.106956
  H      -8.591116     -6.571577     15.674904
  H      -7.141387     -5.812529     13.820537
  H      -6.225479     -8.971016     10.763105
  H      -4.729717     -8.234553      8.935806
  N      -3.871887     -2.079858      4.546063
  N      -3.752577     -0.987657      4.886927
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.636517381313
  N      -2.404274     -3.975727      2.658938
  C      -2.195814     -5.187298      1.865741
  C      -2.758570     -6.381905      2.624449
  N      -4.110587     -6.055359      3.143718
  C      -5.145357     -6.072862      2.081129
  C      -6.295131     -5.154462      2.468878
  N      -5.741765     -3.895388      2.960124
  Mo     -3.970601     -3.969290      3.883416
  N      -3.643840     -4.942954      5.586890
  C      -3.719572     -6.400369      5.558652
  C      -4.499400     -6.853945      4.330070
  H      -4.247342     -6.794852      6.445185
  H      -2.710137     -6.862095      5.567749
  H      -5.568024     -6.662471      4.501416
  H      -4.368192     -7.936365      4.145874
  H      -6.931397     -5.002776      1.579528
  H      -6.937798     -5.648066      3.226086
  H      -4.676348     -5.686929      1.166168
  H      -5.489133     -7.104717      1.887441
  H      -1.123427     -5.380496      1.685276
  H      -2.665132     -5.112283      0.862254
  H      -2.119705     -6.585454      3.494785
  H      -2.785770     -7.288687      1.993238
  C      -0.346782     -2.931758      1.630016
  C      -1.777034     -2.747026      2.142285
  C      -2.696960     -2.085223      1.098416
  C      -2.393735     -0.604081      0.813517
  C      -3.598248      0.069135      0.209823
  C      -4.685231      0.420350      1.025850
  C      -5.850592      0.953131      0.484004
  C      -5.977655      1.160080     -0.901503
  C      -7.224890      1.706745     -1.478937
  C      -7.195494      2.565432     -2.592213
  C      -8.373781      3.075756     -3.136430
  C      -9.610589      2.739480     -2.580275
  C      -9.656117      1.887395     -1.473955
  C      -8.477538      1.377150     -0.930515
  C      -4.883232      0.823640     -1.715410
  C      -3.717349      0.287351     -1.168281
  C      -7.520833     -2.456807      1.938052
  C      -6.718565     -2.818402      3.192195
  C      -7.645506     -3.139102      4.388530
  C      -6.859472     -3.265018      5.695340
  C      -7.495270     -4.070173      6.793916
  C      -7.961080     -5.374770      6.564611
  C      -8.496462     -6.144775      7.592944
  C      -8.582978     -5.648426      8.905838
  C      -9.182680     -6.457261      9.989103
  C      -9.060674     -7.857595     10.003233
  C      -9.636555     -8.618185     11.019523
  C     -10.352689     -7.998226     12.045225
  C     -10.485665     -6.608526     12.043809
  C      -9.907258     -5.847270     11.028854
  C      -8.098323     -4.350716      9.140794
  C      -7.571316     -3.579896      8.105452
  C      -1.508074     -4.525621      6.809388
  C      -3.032783     -4.349014      6.789066
  C      -3.724236     -4.788612      8.105342
  C      -3.125373     -5.997895      8.848985
  C      -4.022737     -6.457202      9.968295
  C      -4.150344     -5.706766     11.146486
  C      -5.005800     -6.109134     12.168824
  C      -5.768235     -7.285281     12.056990
  C      -6.662184     -7.724584     13.149882
  C      -6.837901     -9.090331     13.434418
  C      -7.677602     -9.507481     14.466162
  C      -8.362371     -8.566758     15.239359
  C      -8.197876     -7.206383     14.968263
  C      -7.358266     -6.790837     13.936121
  C      -5.642886     -8.033161     10.874836
  C      -4.789888     -7.623737      9.851699
  H       0.280947     -3.428106      2.384902
  H       0.099738     -1.951412      1.410594
  H      -0.314033     -3.524544      0.703451
  H      -1.730858     -2.056323      2.999555
  H      -3.721500     -2.152415      1.497035
  H      -2.688495     -2.656728      0.154340
  H      -1.522114     -0.498440      0.149781
  H      -2.139790     -0.112143      1.768132
  H      -4.611410      0.272095      2.106727
  H      -6.670676      1.234642      1.147390
  H      -6.233950      2.855951     -3.019574
  H      -8.325263      3.747718     -3.995514
  H     -10.532636      3.139003     -3.005951
  H     -10.617087      1.610965     -1.035714
  H      -8.527228      0.691390     -0.082372
  H      -4.956930      0.955214     -2.796785
  H      -2.887419      0.018641     -1.827022
  H      -8.231793     -3.249338      1.660912
  H      -6.848155     -2.272781      1.088169
  H      -8.102066     -1.541272      2.120571
  H      -6.125252     -1.931805      3.465829
  H      -8.192492     -4.071133      4.174699
  H      -8.409015     -2.349555      4.476476
  H      -6.593834     -2.264314      6.069543
  H      -5.892267     -3.758457      5.451749
  H      -7.913803     -5.796335      5.556841
  H      -8.878707     -7.143301      7.371852
  H      -8.479929     -8.351269      9.222169
  H      -9.511336     -9.702692     11.021370
  H     -10.788669     -8.593026     12.848785
  H     -11.046098     -6.110492     12.837334
  H     -10.040436     -4.763812     11.024691
  H      -8.115955     -3.946429     10.154744
  H      -7.193648     -2.576870      8.319260
  H      -1.075236     -4.083371      5.900672
  H      -1.066009     -4.025052      7.684126
  H      -1.216250     -5.585137      6.846032
  H      -3.232446     -3.271780      6.696333
  H      -3.714205     -3.930584      8.796184
  H      -4.787188     -4.979244      7.887871
  H      -2.139923     -5.721053      9.256530
  H      -2.952790     -6.836015      8.158287
  H      -3.556090     -4.797718     11.269781
  H      -5.060032     -5.519741     13.086214
  H      -6.287319     -9.833200     12.854069
  H      -7.791246    -10.573354     14.673499
  H      -9.020350     -8.891519     16.047327
  H      -8.738144     -6.462583     15.557170
  H      -7.265517     -5.726806     13.711924
  H      -6.245492     -8.933734     10.747820
  H      -4.716759     -8.219416      8.938005
  N      -3.806185     -2.110810      4.498028
  N      -3.689987     -1.017167      4.833933
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.636763637131
  N      -2.350098     -3.990842      2.604554
  C      -2.140464     -5.199876      1.809527
  C      -2.689841     -6.397835      2.572844
  N      -4.037209     -6.078904      3.106678
  C      -5.083761     -6.099550      2.056397
  C      -6.235794     -5.192666      2.462519
  N      -5.686423     -3.933143      2.953659
  Mo     -3.902871     -3.996971      3.844737
  N      -3.580127     -4.964012      5.550345
  C      -3.634306     -6.421756      5.519612
  C      -4.409748     -6.885039      4.292783
  H      -4.154822     -6.824353      6.406499
  H      -2.619207     -6.870529      5.525510
  H      -5.480833     -6.712145      4.467838
  H      -4.260594     -7.964496      4.105748
  H      -6.883460     -5.041136      1.581547
  H      -6.865300     -5.695307      3.224871
  H      -4.628410     -5.705706      1.137938
  H      -5.422028     -7.133169      1.862277
  H      -1.068425     -5.386475      1.620593
  H      -2.618067     -5.128264      0.809663
  H      -2.040738     -6.596990      3.436745
  H      -2.718860     -7.304816      1.942117
  C      -0.307937     -2.934386      1.557606
  C      -1.732075     -2.757538      2.088888
  C      -2.665712     -2.091711      1.060477
  C      -2.372337     -0.606172      0.783935
  C      -3.595723      0.070405      0.223718
  C      -4.656572      0.412600      1.077265
  C      -5.842848      0.939468      0.576780
  C      -6.017720      1.149849     -0.802931
  C      -7.289728      1.683716     -1.336236
  C      -7.307750      2.551454     -2.442655
  C      -8.509889      3.048935     -2.945097
  C      -9.723514      2.690258     -2.352907
  C      -9.721828      1.828587     -1.253005
  C      -8.519417      1.331263     -0.751346
  C      -4.948190      0.825873     -1.654229
  C      -3.761285      0.294730     -1.148516
  C      -7.466399     -2.496405      1.932714
  C      -6.663282     -2.856868      3.186828
  C      -7.588419     -3.175762      4.383399
  C      -6.805276     -3.292132      5.693997
  C      -7.454704     -4.086096      6.793608
  C      -7.909055     -5.396561      6.573435
  C      -8.467312     -6.152660      7.599827
  C      -8.588718     -5.636568      8.902810
  C      -9.218722     -6.429850      9.980515
  C      -9.101491     -7.830394     10.014980
  C      -9.710298     -8.578213     11.021199
  C     -10.455014     -7.944638     12.017852
  C     -10.581831     -6.554713     11.997729
  C      -9.970882     -5.806199     10.992354
  C      -8.111537     -4.334956      9.129804
  C      -7.561936     -3.577949      8.095883
  C      -1.470855     -4.541651      6.818845
  C      -2.994452     -4.363773      6.761286
  C      -3.715889     -4.794039      8.064425
  C      -3.134256     -5.997121      8.832350
  C      -4.050798     -6.437174      9.943551
  C      -4.191405     -5.671007     11.110034
  C      -5.059216     -6.059339     12.127216
  C      -5.821268     -7.236369     12.021712
  C      -6.725335     -7.660415     13.111978
  C      -6.898680     -9.021496     13.419062
  C      -7.743939     -9.422686     14.452725
  C      -8.436284     -8.470351     15.204869
  C      -8.274819     -7.114639     14.910412
  C      -7.429957     -6.715036     13.876423
  C      -5.683847     -7.999593     10.850691
  C      -4.819038     -7.603558      9.832271
  H       0.330877     -3.435129      2.300078
  H       0.132637     -1.950561      1.341647
  H      -0.284584     -3.518749      0.625420
  H      -1.676917     -2.071171      2.949233
  H      -3.685598     -2.167551      1.469203
  H      -2.664073     -2.656472      0.112347
  H      -1.521322     -0.492361      0.095372
  H      -2.091450     -0.123547      1.735545
  H      -4.546339      0.258312      2.154201
  H      -6.643192      1.210661      1.267986
  H      -6.364389      2.858305     -2.898102
  H      -8.498299      3.728284     -3.799589
  H     -10.664165      3.079759     -2.745782
  H     -10.664349      1.534559     -0.787131
  H      -8.531888      0.637943      0.092082
  H      -5.058978      0.961850     -2.731885
  H      -2.952387      0.033969     -1.835899
  H      -8.179409     -3.287971      1.658015
  H      -6.794858     -2.315429      1.081564
  H      -8.045373     -1.579164      2.113909
  H      -6.069678     -1.970020      3.458764
  H      -8.129121     -4.112612      4.174370
  H      -8.357435     -2.391034      4.466439
  H      -6.543721     -2.288097      6.061920
  H      -5.838970     -3.787660      5.459610
  H      -7.834775     -5.833953      5.574120
  H      -8.841254     -7.155334      7.384096
  H      -8.499905     -8.334970      9.257177
  H      -9.589272     -9.663019     11.038066
  H     -10.919241     -8.529063     12.813167
  H     -11.163528     -6.047272     12.769438
  H     -10.099404     -4.722419     10.973356
  H      -8.154364     -3.915416     10.136756
  H      -7.192840     -2.570560      8.303982
  H      -1.015879     -4.109806      5.915930
  H      -1.048854     -4.032468      7.698262
  H      -1.181633     -5.601036      6.873201
  H      -3.190084     -3.287204      6.656521
  H      -3.721079     -3.930660      8.748774
  H      -4.773850     -4.986470      7.826127
  H      -2.154049     -5.718694      9.251138
  H      -2.955313     -6.845177      8.155821
  H      -3.596984     -4.761525     11.228680
  H      -5.123906     -5.458433     13.036385
  H      -6.342709     -9.772514     12.854633
  H      -7.855954    -10.485006     14.678197
  H      -9.098032     -8.782880     16.014537
  H      -8.821613     -6.362304     15.482104
  H      -7.338405     -5.654856     13.634283
  H      -6.284231     -8.902530     10.728936
  H      -4.735251     -8.210724      8.927212
  N      -3.743389     -2.140887      4.462068
  N      -3.630145     -1.046863      4.798884
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.636981798461
  N      -2.310593     -3.998059      2.552930
  C      -2.101546     -5.201349      1.750671
  C      -2.634574     -6.405739      2.515374
  N      -3.976013     -6.097378      3.069011
  C      -5.037134     -6.118057      2.033287
  C      -6.190780     -5.225372      2.464009
  N      -5.644934     -3.967139      2.959337
  Mo     -3.846829     -4.023416      3.811977
  N      -3.524171     -4.990340      5.515568
  C      -3.555203     -6.448283      5.477305
  C      -4.327896     -6.917540      4.251776
  H      -4.067195     -6.862647      6.363615
  H      -2.534066     -6.882723      5.478236
  H      -5.401472     -6.768180      4.432352
  H      -4.157720     -7.992142      4.055540
  H      -6.850825     -5.070758      1.592814
  H      -6.806838     -5.740009      3.229463
  H      -4.597536     -5.713255      1.111879
  H      -5.369052     -7.153132      1.835586
  H      -1.030319     -5.380261      1.549932
  H      -2.589429     -5.129598      0.755710
  H      -1.973011     -6.604531      3.370033
  H      -2.667822     -7.310510      1.881792
  C      -0.285122     -2.925150      1.492270
  C      -1.704085     -2.758149      2.040337
  C      -2.649904     -2.089010      1.025819
  C      -2.367474     -0.598143      0.762992
  C      -3.602189      0.079662      0.229877
  C      -4.648749      0.411219      1.105119
  C      -5.846387      0.935641      0.629804
  C      -6.047270      1.154218     -0.745155
  C      -7.332373      1.682831     -1.251350
  C      -7.376889      2.561084     -2.348642
  C      -8.591821      3.053050     -2.825168
  C      -9.791802      2.678011     -2.215435
  C      -9.763708      1.805562     -1.124349
  C      -8.548513      1.313944     -0.648521
  C      -4.991388      0.842731     -1.617885
  C      -3.793016      0.313782     -1.137375
  C      -7.428997     -2.530606      1.947559
  C      -6.621602     -2.892272      3.198828
  C      -7.542571     -3.213113      4.396302
  C      -6.760864     -3.324833      5.709408
  C      -7.422665     -4.109458      6.808687
  C      -7.863776     -5.426089      6.597667
  C      -8.442192     -6.169949      7.621756
  C      -8.599707     -5.634322      8.913354
  C      -9.253571     -6.414314      9.986193
  C      -9.131082     -7.813712     10.044093
  C      -9.761007     -8.550479     11.045249
  C     -10.532870     -7.906240     12.014249
  C     -10.664593     -6.517282     11.971394
  C     -10.032604     -5.780068     10.970747
  C      -8.133692     -4.327563      9.132084
  C      -7.562531     -3.583473      8.100476
  C      -1.443339     -4.567431      6.833786
  C      -2.964566     -4.388664      6.737747
  C      -3.717931     -4.814377      8.024589
  C      -3.147678     -6.004995      8.820657
  C      -4.078083     -6.426691      9.927379
  C      -4.232876     -5.641559     11.079312
  C      -5.108397     -6.016869     12.094764
  C      -5.862569     -7.200171     12.002782
  C      -6.771069     -7.611335     13.094182
  C      -6.932135     -8.967519     13.428377
  C      -7.780652     -9.355688     14.464416
  C      -8.488766     -8.395140     15.191113
  C      -8.340738     -7.044366     14.868480
  C      -7.492468     -6.657638     13.832376
  C      -5.711078     -7.982627     10.846315
  C      -4.840542     -7.598062      9.828434
  H       0.364374     -3.429499      2.222876
  H       0.149102     -1.937521      1.280536
  H      -0.269184     -3.500910      0.554592
  H      -1.642137     -2.077007      2.904293
  H      -3.666975     -2.176623      1.439368
  H      -2.649761     -2.644372      0.072140
  H      -1.528261     -0.473233      0.062084
  H      -2.073946     -0.124899      1.715318
  H      -4.517561      0.250395      2.178699
  H      -6.635496      1.198627      1.336935
  H      -6.443986      2.879373     -2.817563
  H      -8.601010      3.740830     -3.672871
  H     -10.742411      3.063314     -2.587846
  H     -10.695417      1.498799     -0.645212
  H      -8.539468      0.612575      0.188197
  H      -5.122011      0.987662     -2.692165
  H      -2.995011      0.063010     -1.840975
  H      -8.145037     -3.320439      1.675731
  H      -6.761096     -2.351038      1.093421
  H      -8.005190     -1.611892      2.130258
  H      -6.027697     -2.005320      3.469495
  H      -8.079566     -4.152926      4.190087
  H      -8.315412     -2.431971      4.478397
  H      -6.501958     -2.318943      6.074082
  H      -5.795468     -3.821627      5.481860
  H      -7.762114     -5.878554      5.607497
  H      -8.805221     -7.177792      7.412004
  H      -8.508407     -8.326223      9.309066
  H      -9.635183     -9.634229     11.080174
  H     -11.015369     -8.481377     12.805504
  H     -11.266297     -6.002645     12.722668
  H     -10.164068     -4.697127     10.934500
  H      -8.202799     -3.892789     10.131092
  H      -7.203887     -2.571081      8.302435
  H      -0.965163     -4.145125      5.938365
  H      -1.042892     -4.049639      7.718105
  H      -1.155869     -5.626165      6.906309
  H      -3.155382     -3.312236      6.625235
  H      -3.747085     -3.945420      8.701474
  H      -4.768140     -5.016520      7.761539
  H      -2.173412     -5.718405      9.247566
  H      -2.958972     -6.864973      8.162310
  H      -3.643257     -4.727775     11.188139
  H      -5.184768     -5.401548     12.993261
  H      -6.365334     -9.723902     12.882266
  H      -7.883119    -10.414110     14.711606
  H      -9.152785     -8.697846     16.002611
  H      -8.900944     -6.286297     15.419121
  H      -7.410661     -5.602040     13.567860
  H      -6.303242     -8.892332     10.735366
  H      -4.745383     -8.219883      8.934589
  N      -3.691945     -2.174056      4.437216
  N      -3.582619     -1.081028      4.779800
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637133802997
  N      -2.275517     -4.003209      2.505646
  C      -2.069863     -5.200804      1.694527
  C      -2.584356     -6.411973      2.461423
  N      -3.918856     -6.114320      3.038095
  C      -4.996140     -6.136458      2.018141
  C      -6.150331     -5.256602      2.472780
  N      -5.606801     -3.998793      2.970757
  Mo     -3.794170     -4.047378      3.784883
  N      -3.465663     -5.014739      5.485945
  C      -3.473817     -6.472963      5.441155
  C      -4.247190     -6.948425      4.218618
  H      -3.975104     -6.898462      6.328393
  H      -2.446614     -6.892337      5.435244
  H      -5.322287     -6.822050      4.407169
  H      -4.057367     -8.017791      4.012560
  H      -6.822719     -5.099992      1.611380
  H      -6.753341     -5.781530      3.241733
  H      -4.573191     -5.722456      1.092953
  H      -5.322125     -7.173097      1.818566
  H      -1.000296     -5.372349      1.478811
  H      -2.570798     -5.128108      0.706076
  H      -1.908333     -6.611256      3.304778
  H      -2.623660     -7.314209      1.824671
  C      -0.269485     -2.913186      1.426273
  C      -1.682203     -2.756893      1.993780
  C      -2.643451     -2.086006      0.995056
  C      -2.372310     -0.590943      0.742799
  C      -3.616633      0.086228      0.231635
  C      -4.651707      0.409089      1.123731
  C      -5.857145      0.933525      0.668479
  C      -6.077478      1.160685     -0.702190
  C      -7.370712      1.689684     -1.186759
  C      -7.432558      2.577208     -2.275684
  C      -8.655358      3.069388     -2.731495
  C      -9.845794      2.685101     -2.108860
  C      -9.800423      1.803314     -1.025862
  C      -8.577379      1.311621     -0.570632
  C      -5.033071      0.858144     -1.591608
  C      -3.826819      0.329177     -1.131219
  C      -7.397910     -2.563256      1.971577
  C      -6.583340     -2.925627      3.218240
  C      -7.498008     -3.249726      4.418574
  C      -6.715860     -3.357667      5.733053
  C      -7.387908     -4.135019      6.831406
  C      -7.812666     -5.458474      6.629113
  C      -8.410737     -6.191923      7.649391
  C      -8.607531     -5.637456      8.927821
  C      -9.285806     -6.405180      9.994029
  C      -9.153185     -7.802276     10.079048
  C      -9.804440     -8.528285     11.074390
  C     -10.609244     -7.874923     12.010111
  C     -10.752007     -6.488029     11.939670
  C     -10.098045     -5.761827     10.945195
  C      -8.156422     -4.324400      9.138901
  C      -7.563570     -3.591642      8.111355
  C      -1.413647     -4.592439      6.851559
  C      -2.931797     -4.413150      6.719116
  C      -3.717613     -4.838114      7.987314
  C      -3.158981     -6.016226      8.809436
  C      -4.101785     -6.420909      9.912144
  C      -4.270075     -5.617312     11.049322
  C      -5.152448     -5.979844     12.063519
  C      -5.899073     -7.168969     11.985613
  C      -6.812108     -7.566936     13.078231
  C      -6.966160     -8.918113     13.435446
  C      -7.818287     -9.293306     14.473366
  C      -8.536983     -8.324655     15.178671
  C      -8.396643     -6.978895     14.832402
  C      -7.544649     -6.604965     13.794537
  C      -5.734472     -7.970037     10.843774
  C      -4.858355     -7.597177      9.826237
  H       0.392386     -3.419537      2.144293
  H       0.157345     -1.921836      1.216507
  H      -0.262723     -3.481721      0.484080
  H      -1.612129     -2.080702      2.860904
  H      -3.656307     -2.184073      1.416845
  H      -2.648192     -2.633088      0.036579
  H      -1.542918     -0.455919      0.032154
  H      -2.068834     -0.124801      1.695423
  H      -4.504281      0.242645      2.194339
  H      -6.636900      1.191200      1.387881
  H      -6.506715      2.901833     -2.754236
  H      -8.678219      3.764567     -3.572886
  H     -10.802538      3.070625     -2.464995
  H     -10.724691      1.489428     -0.537023
  H      -8.554004      0.603408      0.260007
  H      -5.178861      1.011244     -2.662831
  H      -3.037559      0.086118     -1.847299
  H      -8.116920     -3.351887      1.704084
  H      -6.735280     -2.384494      1.113094
  H      -7.971706     -1.643569      2.157053
  H      -5.989413     -2.038038      3.486526
  H      -8.031956     -4.192098      4.215118
  H      -8.274244     -2.471958      4.501840
  H      -6.459264     -2.350266      6.095324
  H      -5.750735     -3.854803      5.509968
  H      -7.682821     -5.924441      5.648485
  H      -8.760864     -7.205495      7.445473
  H      -8.505492     -8.321224      9.370717
  H      -9.669662     -9.610005     11.130999
  H     -11.109950     -8.441105     12.796571
  H     -11.379655     -5.967092     12.664955
  H     -10.237661     -4.680839     10.887141
  H      -8.255765     -3.874462     10.128663
  H      -7.218559     -2.573297      8.307082
  H      -0.913796     -4.176991      5.964775
  H      -1.034115     -4.067764      7.741012
  H      -1.127563     -5.650385      6.939510
  H      -3.118355     -3.336634      6.601900
  H      -3.773635     -3.964962      8.657244
  H      -4.758307     -5.051892      7.696737
  H      -2.190439     -5.722041      9.244043
  H      -2.961213     -6.887183      8.168319
  H      -3.685286     -4.699249     11.147815
  H      -5.239931     -5.350272     12.951059
  H      -6.391800     -9.679976     12.905078
  H      -7.915244    -10.347792     14.738972
  H      -9.203611     -8.617471     15.991662
  H      -8.965968     -6.215071     15.365423
  H      -7.467934     -5.553799     13.511412
  H      -6.318793     -8.886205     10.744042
  H      -4.752420     -8.233710      8.943951
  N      -3.644046     -2.202909      4.417041
  N      -3.539386     -1.110887      4.765566
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637246375525
  N      -2.244735     -4.011394      2.459225
  C      -2.047782     -5.202413      1.635619
  C      -2.543723     -6.421183      2.403127
  N      -3.869374     -6.132946      3.007149
  C      -4.964804     -6.155209      2.004588
  C      -6.117041     -5.285386      2.483104
  N      -5.572747     -4.028610      2.983727
  Mo     -3.745672     -4.073004      3.759279
  N      -3.407581     -5.044483      5.456327
  C      -3.393627     -6.503159      5.403021
  C      -4.171994     -6.982499      4.184907
  H      -3.881388     -6.940981      6.292013
  H      -2.360561     -6.906831      5.386501
  H      -5.247481     -6.877543      4.384033
  H      -3.965016     -8.046031      3.966240
  H      -6.801052     -5.125632      1.631374
  H      -6.708738     -5.818567      3.255184
  H      -4.558938     -5.733687      1.075083
  H      -5.286759     -7.192916      1.804135
  H      -0.981199     -5.368460      1.401266
  H      -2.564578     -5.125257      0.655726
  H      -1.851448     -6.624911      3.232280
  H      -2.593194     -7.319218      1.761288
  C      -0.260331     -2.905046      1.356269
  C      -1.664583     -2.758913      1.947489
  C      -2.644323     -2.084472      0.969141
  C      -2.383429     -0.585978      0.727241
  C      -3.635316      0.091203      0.234933
  C      -4.661670      0.405036      1.140268
  C      -5.871648      0.933277      0.701597
  C      -6.105227      1.173193     -0.664786
  C      -7.402291      1.708939     -1.131519
  C      -7.473075      2.607741     -2.210604
  C      -8.699458      3.106529     -2.649338
  C      -9.884363      2.717612     -2.019038
  C      -9.830092      1.824679     -0.945630
  C      -8.603497      1.326440     -0.507366
  C      -5.070083      0.878403     -1.567387
  C      -3.859280      0.345699     -1.123654
  C      -7.369637     -2.590583      1.999599
  C      -6.547591     -2.955843      3.240724
  C      -7.456380     -3.283489      4.443702
  C      -6.674945     -3.391551      5.759868
  C      -7.359931     -4.164004      6.853278
  C      -7.763433     -5.494898      6.656362
  C      -8.381108     -6.222290      7.669069
  C      -8.621611     -5.652717      8.933259
  C      -9.319934     -6.414328      9.990346
  C      -9.169190     -7.807638     10.100397
  C      -9.834774     -8.528137     11.090410
  C     -10.673416     -7.872445     11.994478
  C     -10.836362     -6.489065     11.897143
  C     -10.167290     -5.768686     10.908578
  C      -8.192152     -4.331794      9.139866
  C      -7.577936     -3.605758      8.120021
  C      -1.384914     -4.626878      6.869325
  C      -2.898981     -4.445740      6.701491
  C      -3.717721     -4.870046      7.950511
  C      -3.165500     -6.026138      8.806282
  C      -4.117879     -6.411977      9.907973
  C      -4.307993     -5.580817     11.021741
  C      -5.196486     -5.927324     12.036307
  C      -5.926177     -7.128340     11.983295
  C      -6.844062     -7.510027     13.077945
  C      -6.982707     -8.853601     13.468969
  C      -7.840831     -9.213873     14.507227
  C      -8.581308     -8.237720     15.178821
  C      -8.456939     -6.899556     14.798359
  C      -7.598534     -6.540276     13.760405
  C      -5.739647     -7.957302     10.865116
  C      -4.859034     -7.599456      9.845956
  H       0.415168     -3.414537      2.059242
  H       0.159729     -1.910434      1.147972
  H      -0.266356     -3.465771      0.409389
  H      -1.583072     -2.089144      2.818510
  H      -3.651010     -2.191355      1.403760
  H      -2.659363     -2.622504      0.005615
  H      -1.561934     -0.440946      0.009390
  H      -2.071945     -0.127041      1.680782
  H      -4.502813      0.230100      2.207885
  H      -6.644153      1.186003      1.430546
  H      -6.551031      2.935536     -2.694376
  H      -8.729461      3.810557     -3.483131
  H     -10.843895      3.108331     -2.361812
  H     -10.750186      1.507286     -0.451196
  H      -8.572406      0.609984      0.315918
  H      -5.226764      1.041529     -2.635599
  H      -3.076766      0.109501     -1.849396
  H      -8.092992     -3.376672      1.736337
  H      -6.712391     -2.412997      1.136568
  H      -7.939518     -1.669207      2.188832
  H      -5.952542     -2.068609      3.507186
  H      -7.989732     -4.226576      4.241160
  H      -8.233987     -2.507192      4.529538
  H      -6.419089     -2.384060      6.122554
  H      -5.710137     -3.889851      5.541089
  H      -7.600899     -5.971214      5.685586
  H      -8.713023     -7.242837      7.469443
  H      -8.495260     -8.326998      9.417331
  H      -9.684387     -9.606440     11.168043
  H     -11.186197     -8.433899     12.776644
  H     -11.491757     -5.966882     12.596682
  H     -10.321533     -4.691020     10.829154
  H      -8.326065     -3.869566     10.119912
  H      -7.250213     -2.580954      8.311686
  H      -0.864088     -4.216936      5.992096
  H      -1.025548     -4.096468      7.763822
  H      -1.100603     -5.684063      6.971295
  H      -3.080068     -3.368716      6.581306
  H      -3.809598     -3.990253      8.607790
  H      -4.744855     -5.105071      7.630036
  H      -2.204523     -5.715955      9.246605
  H      -2.953946     -6.911082      8.189017
  H      -3.735750     -4.653039     11.101432
  H      -5.301738     -5.275654     12.905769
  H      -6.392085     -9.620357     12.964132
  H      -7.925562    -10.262332     14.799609
  H      -9.252845     -8.519041     15.991834
  H      -9.044018     -6.130663     15.304112
  H      -7.533816     -5.496032     13.449917
  H      -6.309207     -8.884590     10.784816
  H      -4.736064     -8.258463      8.982463
  N      -3.597841     -2.233010      4.399678
  N      -3.497108     -1.142922      4.756094
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637358447336
  N      -2.241721     -4.007976      2.453830
  C      -2.055201     -5.195711      1.621558
  C      -2.543154     -6.418421      2.388223
  N      -3.862992     -6.132745      3.009254
  C      -4.968811     -6.155711      2.016420
  C      -6.117503     -5.285828      2.503370
  N      -5.569344     -4.029092      3.001623
  Mo     -3.735826     -4.074221      3.763290
  N      -3.385342     -5.051469      5.456528
  C      -3.362918     -6.510498      5.398321
  C      -4.151241     -6.989421      4.186461
  H      -3.838491     -6.954234      6.291187
  H      -2.327265     -6.906167      5.370275
  H      -5.225571     -6.890421      4.394811
  H      -3.940891     -8.050539      3.959871
  H      -6.805686     -5.125277      1.655027
  H      -6.706623     -5.818096      3.277941
  H      -4.571029     -5.735218      1.082958
  H      -5.291096     -7.193925      1.819562
  H      -0.991364     -5.361643      1.374676
  H      -2.582482     -5.112877      0.647855
  H      -1.841731     -6.628922      3.207897
  H      -2.602176     -7.312756      1.742148
  C      -0.269042     -2.896105      1.335078
  C      -1.668172     -2.753439      1.939169
  C      -2.658714     -2.078756      0.971728
  C      -2.402686     -0.579872      0.730713
  C      -3.653380      0.094155      0.231299
  C      -4.687227      0.403894      1.129386
  C      -5.893071      0.935169      0.682947
  C      -6.114792      1.181992     -0.684213
  C      -7.405900      1.725007     -1.159261
  C      -7.463803      2.627375     -2.236190
  C      -8.684222      3.133540     -2.682932
  C      -9.875872      2.748721     -2.063007
  C      -9.834472      1.852542     -0.991790
  C      -8.613868      1.346848     -0.545505
  C      -5.073092      0.888867     -1.579701
  C      -3.866498      0.353440     -1.128201
  C      -7.368384     -2.589262      2.024187
  C      -6.542231     -2.955037      3.262503
  C      -7.448771     -3.282615      4.467376
  C      -6.668074     -3.394541      5.784073
  C      -7.357758     -4.167611      6.873630
  C      -7.745534     -5.503437      6.678972
  C      -8.368052     -6.231510      7.688327
  C      -8.629938     -5.656633      8.945654
  C      -9.330113     -6.418665     10.001217
  C      -9.161180     -7.808562     10.126679
  C      -9.825850     -8.527570     11.118690
  C     -10.681776     -7.873963     12.007954
  C     -10.864110     -6.494059     11.893731
  C     -10.195886     -5.775274     10.903591
  C      -8.218599     -4.329446      9.149559
  C      -7.598746     -3.603148      8.133337
  C      -1.366851     -4.644813      6.877801
  C      -2.879938     -4.460805      6.706828
  C      -3.707492     -4.895980      7.947998
  C      -3.154694     -6.047980      8.806454
  C      -4.106104     -6.430394      9.910731
  C      -4.301764     -5.591543     11.017865
  C      -5.192828     -5.932159     12.032238
  C      -5.919816     -7.135093     11.985980
  C      -6.843431     -7.510257     13.078234
  C      -6.983593     -8.851817     13.475913
  C      -7.850047     -9.207579     14.508661
  C      -8.597852     -8.228827     15.168053
  C      -8.471354     -6.892457     14.781640
  C      -7.604126     -6.537500     13.749421
  C      -5.727285     -7.972153     10.875043
  C      -4.843905     -7.620297      9.855999
  H       0.413147     -3.406210      2.031099
  H       0.148415     -1.900821      1.124892
  H      -0.282797     -3.455084      0.387252
  H      -1.579921     -2.086162      2.811414
  H      -3.661117     -2.187801      1.415840
  H      -2.682149     -2.614241      0.006934
  H      -1.577242     -0.431224      0.018090
  H      -2.097949     -0.120423      1.686300
  H      -4.537075      0.224921      2.197574
  H      -6.671246      1.186528      1.406281
  H      -6.536280      2.952300     -2.711326
  H      -8.704275      3.840213     -3.514783
  H     -10.830749      3.145202     -2.412108
  H     -10.760021      1.538442     -0.505516
  H      -8.592561      0.627998      0.275972
  H      -5.221263      1.055851     -2.648492
  H      -3.078122      0.118972     -1.848132
  H      -8.094984     -3.373602      1.764811
  H      -6.713977     -2.414575      1.158282
  H      -7.935124     -1.666092      2.214004
  H      -5.945829     -2.068243      3.526862
  H      -7.986312     -4.223231      4.264431
  H      -8.223481     -2.503553      4.555512
  H      -6.410851     -2.388327      6.149353
  H      -5.703483     -3.893842      5.566032
  H      -7.566001     -5.982535      5.712592
  H      -8.686241     -7.256994      7.491577
  H      -8.473673     -8.325126      9.455196
  H      -9.660830     -9.602667     11.209679
  H     -11.193056     -8.434154     12.791984
  H     -11.534014     -5.973345     12.580695
  H     -10.364880     -4.700950     10.810155
  H      -8.371021     -3.862570     10.124661
  H      -7.283907     -2.573895      8.322539
  H      -0.843669     -4.230974      6.003852
  H      -1.009503     -4.117496      7.775046
  H      -1.081762     -5.702041      6.977268
  H      -3.058426     -3.382436      6.594883
  H      -3.816637     -4.018850      8.606088
  H      -4.727798     -5.141933      7.614926
  H      -2.193340     -5.736775      9.245468
  H      -2.943502     -6.935246      8.191765
  H      -3.732941     -4.661163     11.091818
  H      -5.303258     -5.273507     12.895775
  H      -6.387353     -9.620453     12.980662
  H      -7.935853    -10.254504     14.806177
  H      -9.276562     -8.506562     15.976310
  H      -9.063790     -6.121571     15.278008
  H      -7.537821     -5.494978     13.433527
  H      -6.295381     -8.900750     10.799143
  H      -4.717837     -8.286038      8.998085
  N      -3.586805     -2.235096      4.406160
  N      -3.487287     -1.146407      4.767144
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637473473769
  N      -2.266410     -4.002938      2.460529
  C      -2.096896     -5.183116      1.611480
  C      -2.579880     -6.413286      2.369322
  N      -3.892265     -6.130067      3.011051
  C      -5.008882     -6.149637      2.028610
  C      -6.151311     -5.276784      2.524693
  N      -5.596498     -4.021304      3.021933
  Mo     -3.757470     -4.073375      3.776998
  N      -3.387654     -5.068134      5.459725
  C      -3.359856     -6.527852      5.387959
  C      -4.165757     -6.998207      4.184459
  H      -3.816567     -6.982405      6.285098
  H      -2.322155     -6.915378      5.338579
  H      -5.237343     -6.899490      4.407015
  H      -3.958858     -8.056861      3.944057
  H      -6.842963     -5.112719      1.679715
  H      -6.739280     -5.806923      3.301359
  H      -4.618959     -5.730573      1.091204
  H      -5.334151     -7.187401      1.835085
  H      -1.037102     -5.351024      1.348802
  H      -2.636761     -5.085457      0.646313
  H      -1.869063     -6.639795      3.176391
  H      -2.653050     -7.298553      1.712471
  C      -0.298699     -2.888996      1.335631
  C      -1.693350     -2.745941      1.949314
  C      -2.689061     -2.061578      0.993924
  C      -2.429015     -0.563367      0.759640
  C      -3.666686      0.112668      0.231941
  C      -4.725464      0.414994      1.102814
  C      -5.916052      0.955736      0.627630
  C      -6.096900      1.219632     -0.742322
  C      -7.369973      1.777432     -1.248253
  C      -7.389637      2.689096     -2.318816
  C      -8.592365      3.210288     -2.795083
  C      -9.804289      2.831797     -2.211807
  C      -9.801013      1.926825     -1.147265
  C      -8.598108      1.405901     -0.671555
  C      -5.031403      0.930559     -1.610834
  C      -3.840376      0.385861     -1.130556
  C      -7.397993     -2.577840      2.054393
  C      -6.568940     -2.947802      3.289651
  C      -7.474882     -3.280656      4.493848
  C      -6.696018     -3.400637      5.810748
  C      -7.387688     -4.181580      6.892792
  C      -7.743092     -5.525978      6.697156
  C      -8.361281     -6.265023      7.701026
  C      -8.650690     -5.691953      8.952564
  C      -9.335399     -6.468500     10.007844
  C      -9.125881     -7.851785     10.142587
  C      -9.771050     -8.582125     11.139575
  C     -10.645793     -7.946962     12.023626
  C     -10.869759     -6.573903     11.898496
  C     -10.222254     -5.843879     10.902947
  C      -8.276765     -4.353447      9.156355
  C      -7.660660     -3.616299      8.145573
  C      -1.361802     -4.683125      6.875936
  C      -2.874860     -4.491947      6.714594
  C      -3.701655     -4.937240      7.954869
  C      -3.134162     -6.074868      8.820619
  C      -4.075431     -6.451900      9.936013
  C      -4.282296     -5.593861     11.026527
  C      -5.170480     -5.924020     12.046795
  C      -5.883568     -7.135816     12.024024
  C      -6.809312     -7.499977     13.118215
  C      -6.935912     -8.835475     13.540420
  C      -7.807674     -9.183290     14.571187
  C      -8.574638     -8.202288     15.204437
  C      -8.460273     -6.871628     14.794995
  C      -7.587523     -6.524483     13.764756
  C      -5.678250     -7.993041     10.931181
  C      -4.797715     -7.651964      9.905731
  H       0.384968     -3.406674      2.024561
  H       0.122023     -1.894351      1.129353
  H      -0.320294     -3.441830      0.384336
  H      -1.597766     -2.086139      2.826562
  H      -3.688015     -2.168268      1.446442
  H      -2.723328     -2.590532      0.025837
  H      -1.586565     -0.412456      0.067562
  H      -2.146462     -0.105859      1.723139
  H      -4.607267      0.223579      2.172867
  H      -6.714227      1.201876      1.330626
  H      -6.446327      3.009862     -2.764701
  H      -8.582721      3.923808     -3.621264
  H     -10.745374      3.239998     -2.584100
  H     -10.742674      1.617756     -0.689536
  H      -8.606541      0.680156      0.144107
  H      -5.148565      1.107966     -2.681750
  H      -3.032339      0.154878     -1.829508
  H      -8.126663     -3.360363      1.795484
  H      -6.745454     -2.402706      1.187128
  H      -7.962692     -1.654060      2.247246
  H      -5.972392     -2.062004      3.556388
  H      -8.016628     -4.217723      4.286081
  H      -8.246470     -2.498868      4.586504
  H      -6.438557     -2.397005      6.182817
  H      -5.730849     -3.898998      5.592542
  H      -7.538014     -6.002652      5.734675
  H      -8.650699     -7.299387      7.506146
  H      -8.421292     -8.351586      9.476203
  H      -9.574669     -9.651113     11.239495
  H     -11.139474     -8.516055     12.812518
  H     -11.555872     -6.067009     12.579972
  H     -10.422712     -4.775866     10.800100
  H      -8.453013     -3.887558     10.127819
  H      -7.371435     -2.579517      8.334252
  H      -0.843075     -4.264186      6.001783
  H      -0.997373     -4.161654      7.773951
  H      -1.077228     -5.741091      6.968231
  H      -3.048562     -3.411415      6.615028
  H      -3.833338     -4.059816      8.608103
  H      -4.714050     -5.205382      7.614792
  H      -2.171555     -5.753801      9.250195
  H      -2.921962     -6.967352      8.213445
  H      -3.726133     -4.654521     11.081722
  H      -5.290374     -5.248401     12.895875
  H      -6.324004     -9.605359     13.066674
  H      -7.882775    -10.225483     14.887632
  H      -9.258545     -8.473501     16.010524
  H      -9.066824     -6.099211     15.271528
  H      -7.530784     -5.487177     13.430309
  H      -6.236755     -8.928531     10.872885
  H      -4.664254     -8.334334      9.062102
  N      -3.603615     -2.236114      4.430131
  N      -3.502966     -1.151104      4.801159
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637540455247
  N      -2.286872     -3.999064      2.460732
  C      -2.128968     -5.174760      1.603026
  C      -2.602895     -6.409299      2.359055
  N      -3.907797     -6.130537      3.017895
  C      -5.035539     -6.152756      2.049015
  C      -6.173060     -5.280700      2.557239
  N      -5.614803     -4.023347      3.045954
  Mo     -3.769470     -4.072384      3.788029
  N      -3.379557     -5.072366      5.463753
  C      -3.343464     -6.531869      5.385205
  C      -4.164650     -7.001755      4.192563
  H      -3.780964     -6.993343      6.288251
  H      -2.303698     -6.910926      5.316413
  H      -5.233107     -6.903710      4.430113
  H      -3.960061     -8.059563      3.946683
  H      -6.874538     -5.118714      1.720070
  H      -6.751003     -5.810075      3.341801
  H      -4.657972     -5.734652      1.106160
  H      -5.361390     -7.191386      1.861372
  H      -1.072651     -5.341417      1.326172
  H      -2.681400     -5.070709      0.645800
  H      -1.882448     -6.641850      3.155679
  H      -2.684295     -7.289968      1.697033
  C      -0.321212     -2.885643      1.333228
  C      -1.712976     -2.740992      1.952508
  C      -2.709989     -2.049046      1.004471
  C      -2.443860     -0.551909      0.773178
  C      -3.672586      0.126864      0.228878
  C      -4.745369      0.425345      1.083678
  C      -5.927588      0.969685      0.591977
  C      -6.085687      1.241691     -0.779166
  C      -7.349471      1.804029     -1.303078
  C      -7.349886      2.720327     -2.369923
  C      -8.543479      3.246240     -2.863519
  C      -9.765598      2.868092     -2.301765
  C      -9.781548      1.958543     -1.241240
  C      -8.587741      1.432789     -0.748334
  C      -5.006119      0.956045     -1.631531
  C      -3.823813      0.407389     -1.134805
  C      -7.421565     -2.581044      2.086481
  C      -6.587623     -2.951594      3.318320
  C      -7.488356     -3.287049      4.525423
  C      -6.704705     -3.405004      5.839302
  C      -7.392306     -4.188156      6.922701
  C      -7.718534     -5.541069      6.735680
  C      -8.334059     -6.283013      7.739127
  C      -8.650799     -5.703790      8.981080
  C      -9.332029     -6.483479     10.036846
  C      -9.094890     -7.860444     10.190139
  C      -9.737682     -8.592531     11.187388
  C     -10.636010     -7.966133     12.053488
  C     -10.886231     -6.599496     11.911001
  C     -10.242375     -5.867496     10.914543
  C      -8.307129     -4.355718      9.176036
  C      -7.692140     -3.616186      8.166279
  C      -1.346383     -4.695521      6.870626
  C      -2.859594     -4.499509      6.717141
  C      -3.683083     -4.947742      7.958522
  C      -3.112979     -6.086419      8.820869
  C      -4.054407     -6.463505      9.936063
  C      -4.267674     -5.601971     11.022690
  C      -5.159160     -5.930188     12.040556
  C      -5.870307     -7.143042     12.018797
  C      -6.802529     -7.505659     13.107527
  C      -6.927159     -8.839933     13.534090
  C      -7.806993     -9.187434     14.557989
  C      -8.583934     -8.207070     15.179913
  C      -8.470336     -6.877483     14.767086
  C      -7.589756     -6.530744     13.743612
  C      -5.657950     -8.003890     10.930335
  C      -4.773057     -7.665609      9.907712
  H       0.362344     -3.409476      2.017570
  H       0.102596     -1.891666      1.130415
  H      -0.347923     -3.433665      0.379288
  H      -1.612420     -2.086011      2.832888
  H      -3.706988     -2.151965      1.462269
  H      -2.752142     -2.574818      0.034963
  H      -1.591844     -0.402606      0.092544
  H      -2.173170     -0.095069      1.740438
  H      -4.645339      0.227584      2.154472
  H      -6.737227      1.211625      1.283166
  H      -6.398967      3.041243     -2.799100
  H      -8.518717      3.963156     -3.686421
  H     -10.699572      3.280005     -2.687578
  H     -10.731186      1.649669     -0.800200
  H      -8.611640      0.703171      0.063524
  H      -5.105200      1.139106     -2.703293
  H      -3.004587      0.179146     -1.821495
  H      -8.151020     -3.363664      1.830245
  H      -6.772488     -2.405676      1.216746
  H      -7.985720     -1.657520      2.282088
  H      -5.990935     -2.065580      3.584197
  H      -8.028926     -4.225191      4.319636
  H      -8.261479     -2.507081      4.621127
  H      -6.449737     -2.400327      6.210299
  H      -5.738910     -3.901407      5.619940
  H      -7.490520     -6.021724      5.780266
  H      -8.599968     -7.324939      7.551336
  H      -8.370956     -8.352437      9.538906
  H      -9.520804     -9.656027     11.302269
  H     -11.126320     -8.536710     12.843343
  H     -11.589377     -6.098725     12.579651
  H     -10.463331     -4.805064     10.797433
  H      -8.505229     -3.884602     10.140644
  H      -7.426915     -2.571745      8.347677
  H      -0.831511     -4.277024      5.993978
  H      -0.975351     -4.175506      7.766770
  H      -1.063694     -5.754146      6.960895
  H      -3.030607     -3.418247      6.621245
  H      -3.818807     -4.071532      8.612273
  H      -4.694247     -5.219875      7.617391
  H      -2.148307     -5.768991      9.248722
  H      -2.904740     -6.978134      8.211041
  H      -3.714459     -4.660840     11.076785
  H      -5.284080     -5.251121     12.886195
  H      -6.307489     -9.609239     13.069567
  H      -7.880844    -10.228691     14.877740
  H      -9.274758     -8.477749     15.980263
  H      -9.084120     -6.105622     15.235176
  H      -7.534269     -5.494544     13.405540
  H      -6.216048     -8.939545     10.872729
  H      -4.635371     -8.350875      9.067200
  N      -3.613894     -2.235180      4.443629
  N      -3.511274     -1.151328      4.816383
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637620357553
  N      -2.316508     -3.997843      2.452995
  C      -2.172512     -5.164966      1.581105
  C      -2.633143     -6.407528      2.331728
  N      -3.927698     -6.137153      3.013810
  C      -5.071145     -6.160947      2.064303
  C      -6.202357     -5.293007      2.593477
  N      -5.640521     -4.033751      3.074238
  Mo     -3.786175     -4.079052      3.795695
  N      -3.370208     -5.088955      5.459151
  C      -3.320293     -6.547557      5.367332
  C      -4.160810     -7.015507      4.188115
  H      -3.730223     -7.021689      6.276623
  H      -2.277836     -6.913278      5.270711
  H      -5.224841     -6.920825      4.446335
  H      -3.957689     -8.071420      3.933206
  H      -6.919148     -5.132092      1.769292
  H      -6.763592     -5.825347      3.388073
  H      -4.711918     -5.740116      1.115434
  H      -5.397311     -7.200300      1.881140
  H      -1.121003     -5.327742      1.284764
  H      -2.742190     -5.050947      0.635214
  H      -1.899620     -6.647865      3.113912
  H      -2.724189     -7.280837      1.661244
  C      -0.351288     -2.882537      1.327845
  C      -1.740152     -2.737248      1.953346
  C      -2.737418     -2.032703      1.015435
  C      -2.462157     -0.536438      0.792287
  C      -3.678400      0.148725      0.228388
  C      -4.768349      0.442787      1.062895
  C      -5.938228      0.995800      0.551444
  C      -6.066149      1.282170     -0.819924
  C      -7.315475      1.856280     -1.365227
  C      -7.287658      2.783851     -2.421965
  C      -8.467181      3.321760     -2.936031
  C      -9.703469      2.944772     -2.405307
  C      -9.747509      2.024048     -1.355203
  C      -8.567678      1.486237     -0.841980
  C      -4.969509      1.000337     -1.651758
  C      -3.800044      0.442482     -1.135468
  C      -7.453408     -2.589158      2.129692
  C      -6.614099     -2.965207      3.356293
  C      -7.508423     -3.307576      4.566109
  C      -6.719036     -3.424912      5.876657
  C      -7.402738     -4.215055      6.957965
  C      -7.685012     -5.578787      6.777630
  C      -8.301110     -6.328996      7.774552
  C      -8.661576     -5.747454      9.003545
  C      -9.339113     -6.537745     10.054289
  C      -9.067893     -7.906866     10.221295
  C      -9.705266     -8.648336     11.214961
  C     -10.631528     -8.039967     12.063980
  C     -10.916117     -6.681756     11.907709
  C     -10.278126     -5.940030     10.914603
  C      -8.361999     -4.387858      9.191914
  C      -7.746860     -3.639869      8.188381
  C      -1.329668     -4.726006      6.859166
  C      -2.842333     -4.520412      6.710969
  C      -3.665157     -4.965034      7.954059
  C      -3.094074     -6.099749      8.821645
  C      -4.036322     -6.467975      9.939254
  C      -4.262086     -5.589198     11.009528
  C      -5.154838     -5.906935     12.029339
  C      -5.853707     -7.126942     12.027461
  C      -6.788608     -7.477387     13.117536
  C      -6.893792     -8.801794     13.578670
  C      -7.773829     -9.136386     14.606806
  C      -8.570226     -8.152596     15.198173
  C      -8.476312     -6.832953     14.750362
  C      -7.595643     -6.499152     13.722813
  C      -5.627057     -8.006289     10.956655
  C      -4.742022     -7.678002      9.930588
  H       0.331013     -3.417925      2.004503
  H       0.077426     -1.888772      1.134679
  H      -0.383849     -3.419809      0.367959
  H      -1.633759     -2.090803      2.839416
  H      -3.732696     -2.131957      1.478101
  H      -2.788035     -2.551971      0.042781
  H      -1.598326     -0.389110      0.126224
  H      -2.205693     -0.082995      1.765056
  H      -4.691907      0.235282      2.133889
  H      -6.761500      1.233364      1.227938
  H      -6.326018      3.104183     -2.827056
  H      -8.420293      4.047093     -3.750579
  H     -10.626486      3.366134     -2.806992
  H     -10.708229      1.716008     -0.938185
  H      -8.614091      0.748111     -0.038880
  H      -5.044359      1.194831     -2.723503
  H      -2.966898      0.218681     -1.806728
  H      -8.184183     -3.370635      1.873651
  H      -6.808083     -2.410918      1.257702
  H      -8.016411     -1.666358      2.332066
  H      -6.017099     -2.079788      3.624402
  H      -8.045147     -4.248163      4.360954
  H      -8.285375     -2.532045      4.667009
  H      -6.469006     -2.419542      6.249226
  H      -5.752551     -3.917577      5.655116
  H      -7.419024     -6.060599      5.832482
  H      -8.531339     -7.380365      7.592340
  H      -8.320949     -8.383581      9.585303
  H      -9.462683     -9.705003     11.340987
  H     -11.117694     -8.618249     12.850884
  H     -11.641264     -6.194916     12.562880
  H     -10.525161     -4.884566     10.786948
  H      -8.594474     -3.914433     10.147656
  H      -7.517451     -2.586001      8.364190
  H      -0.815912     -4.313556      5.978892
  H      -0.951063     -4.205690      7.751894
  H      -1.053664     -5.786189      6.951417
  H      -3.006944     -3.438263      6.615813
  H      -3.804996     -4.086051      8.602944
  H      -4.675079     -5.242437      7.612728
  H      -2.127844     -5.782855      9.246226
  H      -2.889741     -6.995006      8.215598
  H      -3.718691     -4.641641     11.048911
  H      -5.290230     -5.212835     12.861131
  H      -6.258098     -9.572858     13.139292
  H      -7.832345    -10.169809     14.954019
  H      -9.261466     -8.412990     16.001617
  H      -9.105376     -6.059113     15.194309
  H      -7.554547     -5.471301     13.358024
  H      -6.174853     -8.949053     10.915944
  H      -4.593719     -8.377640      9.103838
  N      -3.628877     -2.244088      4.460411
  N      -3.523134     -1.162247      4.838003
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637678578193
  N      -2.341343     -3.997148      2.446657
  C      -2.211773     -5.156033      1.562438
  C      -2.661000     -6.405092      2.308657
  N      -3.944974     -6.140798      3.010864
  C      -5.104354     -6.162192      2.082079
  C      -6.226605     -5.297227      2.635735
  N      -5.657783     -4.037589      3.107730
  Mo     -3.794954     -4.082970      3.806242
  N      -3.355124     -5.102057      5.455900
  C      -3.295543     -6.558982      5.350950
  C      -4.156686     -7.023216      4.185810
  H      -3.678687     -7.044535      6.265840
  H      -2.252450     -6.914964      5.225924
  H      -5.215445     -6.928510      4.465144
  H      -3.958739     -8.078581      3.924510
  H      -6.961494     -5.135651      1.827890
  H      -6.768097     -5.833193      3.441580
  H      -4.763829     -5.737072      1.128118
  H      -5.433948     -7.200961      1.901296
  H      -1.165652     -5.315540      1.246511
  H      -2.798863     -5.033076      0.628285
  H      -1.916186     -6.650545      3.078371
  H      -2.760133     -7.272368      1.631423
  C      -0.374575     -2.881395      1.324493
  C      -1.761779     -2.735550      1.954108
  C      -2.759397     -2.023386      1.022679
  C      -2.477975     -0.528159      0.802014
  C      -3.686003      0.159934      0.223759
  C      -4.786865      0.454084      1.044181
  C      -5.948218      1.012327      0.518781
  C      -6.056325      1.304787     -0.853029
  C      -7.294708      1.887707     -1.413482
  C      -7.246448      2.820876     -2.464533
  C      -8.415283      3.367929     -2.993203
  C      -9.661409      2.994887     -2.482961
  C      -9.725732      2.068748     -1.438615
  C      -8.556467      1.521816     -0.910884
  C      -4.949120      1.022245     -1.670562
  C      -3.788483      0.458927     -1.140492
  C      -7.469008     -2.581211      2.179191
  C      -6.626519     -2.967623      3.400301
  C      -7.515353     -3.312321      4.613405
  C      -6.719039     -3.433502      5.919825
  C      -7.401408     -4.230368      6.997365
  C      -7.647841     -5.601579      6.819699
  C      -8.267960     -6.360348      7.807577
  C      -8.666980     -5.780549      9.025943
  C      -9.344744     -6.581159     10.068904
  C      -9.054366     -7.946101     10.238898
  C      -9.688534     -8.697329     11.226902
  C     -10.632084     -8.103855     12.067305
  C     -10.936987     -6.750709     11.907514
  C     -10.301531     -5.998793     10.920398
  C      -8.401764     -4.413545      9.211749
  C      -7.784876     -3.656395      8.216316
  C      -1.305159     -4.755373      6.848237
  C      -2.816418     -4.535934      6.703928
  C      -3.638329     -4.969975      7.950732
  C      -3.075521     -6.108684      8.820279
  C      -4.023839     -6.469255      9.935366
  C      -4.265509     -5.576443     10.990489
  C      -5.162740     -5.887190     12.008433
  C      -5.848184     -7.114649     12.021328
  C      -6.787066     -7.455799     13.110559
  C      -6.868443     -8.768160     13.608933
  C      -7.749961     -9.090751     14.639922
  C      -8.571949     -8.106958     15.195606
  C      -8.503502     -6.799818     14.708518
  C      -7.621085     -6.477984     13.678723
  C      -5.603717     -8.009179     10.967048
  C      -4.715944     -7.687155      9.941255
  H       0.306003     -3.427291      1.994483
  H       0.058569     -1.887749      1.140997
  H      -0.411191     -3.408328      0.359030
  H      -1.651358     -2.094718      2.843690
  H      -3.753396     -2.119861      1.488908
  H      -2.815842     -2.540161      0.048998
  H      -1.607260     -0.384856      0.144089
  H      -2.229844     -0.074488      1.776790
  H      -4.725510      0.244394      2.115746
  H      -6.779423      1.249941      1.185570
  H      -6.277419      3.138335     -2.854063
  H      -8.352228      4.097303     -3.803043
  H     -10.576103      3.423479     -2.895871
  H     -10.694045      1.763705     -1.037232
  H      -8.619554      0.780127     -0.112302
  H      -5.007793      1.222340     -2.742301
  H      -2.946712      0.236513     -1.801395
  H      -8.204439     -3.358037      1.922034
  H      -6.826060     -2.402342      1.305542
  H      -8.026819     -1.656993      2.389235
  H      -6.024375     -2.086133      3.670835
  H      -8.051383     -4.253819      4.409835
  H      -8.293419     -2.538797      4.720065
  H      -6.470076     -2.429150      6.295811
  H      -5.754404     -3.926330      5.693571
  H      -7.347163     -6.081617      5.883872
  H      -8.469054     -7.417920      7.626961
  H      -8.293616     -8.411321      9.611216
  H      -9.430859     -9.750145     11.355387
  H     -11.117177     -8.690242     12.848956
  H     -11.675745     -6.275766     12.555991
  H     -10.564081     -4.947252     10.791280
  H      -8.663037     -3.941203     10.160502
  H      -7.584559     -2.596270      8.390480
  H      -0.790174     -4.354866      5.963082
  H      -0.917842     -4.233433      7.736078
  H      -1.040956     -5.818052      6.946062
  H      -2.971348     -3.452888      6.605454
  H      -3.767986     -4.087796      8.597343
  H      -4.652001     -5.239433      7.614324
  H      -2.107638     -5.798629      9.245823
  H      -2.877199     -7.005333      8.214534
  H      -3.732259     -4.622822     11.019388
  H      -5.311972     -5.180978     12.827619
  H      -6.213388     -9.538391     13.197205
  H      -7.789654    -10.114469     15.017227
  H      -9.264272     -8.358071     16.001090
  H      -9.153536     -6.027126     15.123280
  H      -7.598847     -5.460872     13.283301
  H      -6.139625     -8.959422     10.940002
  H      -4.554245     -8.397382      9.126171
  N      -3.630333     -2.252614      4.479990
  N      -3.516296     -1.172349      4.860203
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637697393738
  N      -2.334594     -3.999454      2.445124
  C      -2.202174     -5.159235      1.563055
  C      -2.651107     -6.407346      2.311237
  N      -3.936639     -6.142816      3.009522
  C      -5.094377     -6.163611      2.078925
  C      -6.217526     -5.299497      2.632015
  N      -5.649247     -4.040117      3.104505
  Mo     -3.787436     -4.084851      3.804117
  N      -3.350079     -5.101145      5.454854
  C      -3.292945     -6.557925      5.352702
  C      -4.151277     -7.022884      4.185577
  H      -3.680529     -7.041327      6.266816
  H      -2.250402     -6.916996      5.231805
  H      -5.210775     -6.928040      4.462013
  H      -3.952886     -8.078907      3.927037
  H      -6.952556     -5.138051      1.824245
  H      -6.758730     -5.836505      3.437373
  H      -4.752202     -5.737361      1.126067
  H      -5.424096     -7.202026      1.896245
  H      -1.155484     -5.317810      1.248549
  H      -2.788252     -5.038984      0.627839
  H      -1.907926     -6.648655      3.083819
  H      -2.746694     -7.276769      1.636245
  C      -0.367973     -2.882837      1.322979
  C      -1.756064     -2.738156      1.951293
  C      -2.754173     -2.029108      1.017635
  C      -2.474949     -0.533593      0.794956
  C      -3.686719      0.153708      0.223514
  C      -4.781374      0.450824      1.051135
  C      -5.946165      1.008377      0.532717
  C      -6.064110      1.296811     -0.839134
  C      -7.306265      1.878756     -1.392156
  C      -7.265306      2.809324     -2.445785
  C      -8.437824      3.355399     -2.967285
  C      -9.680301      2.983879     -2.447106
  C      -9.737311      2.060409     -1.400000
  C      -8.564374      1.514534     -0.879330
  C      -4.963254      1.011213     -1.663983
  C      -3.798972      0.448870     -1.140782
  C      -7.458866     -2.584139      2.173324
  C      -6.616963     -2.968862      3.395406
  C      -7.506514     -3.311117      4.608704
  C      -6.710272     -3.432051      5.915562
  C      -7.393045     -4.227810      6.993467
  C      -7.645217     -5.597977      6.815115
  C      -8.267015     -6.355035      7.803129
  C      -8.662289     -5.774803      9.022710
  C      -9.344352     -6.573018     10.064420
  C      -9.062618     -7.940196     10.231431
  C      -9.701970     -8.690429     11.216748
  C     -10.643252     -8.093560     12.057508
  C     -10.939817     -6.738213     11.900521
  C     -10.298532     -5.987397     10.916437
  C      -8.390466     -4.409290      9.209288
  C      -7.772068     -3.653747      8.213656
  C      -1.300875     -4.753060      6.849137
  C      -2.811620     -4.532559      6.701897
  C      -3.634832     -4.961623      7.949402
  C      -3.079365     -6.104437      8.818530
  C      -4.031242     -6.464289      9.930897
  C      -4.273629     -5.572820     10.986924
  C      -5.172273     -5.884943     12.003328
  C      -5.858354     -7.112111     12.013344
  C      -6.796848     -7.453741     13.102945
  C      -6.877913     -8.765896     13.601587
  C      -7.757675     -9.087586     14.634446
  C      -8.578316     -8.103294     15.191246
  C      -8.511013     -6.796512     14.702920
  C      -7.630232     -6.475540     13.671388
  C      -5.614015     -8.004985     10.957679
  C      -4.724630     -7.681577      9.933756
  H       0.312688     -3.428131      1.993351
  H       0.064346     -1.888687      1.140182
  H      -0.403165     -3.409537      0.357341
  H      -1.647042     -2.095378      2.839500
  H      -3.748566     -2.127084      1.482604
  H      -2.808265     -2.547460      0.044695
  H      -1.608458     -0.390662      0.131401
  H      -2.220975     -0.079198      1.767826
  H      -4.712149      0.244350      2.122774
  H      -6.772133      1.248677      1.205022
  H      -6.298990      3.125451     -2.843060
  H      -8.380449      4.082852     -3.779258
  H     -10.597858      3.411661     -2.854449
  H     -10.702740      1.756550     -0.990867
  H      -8.621744      0.775205     -0.078104
  H      -5.029981      1.208068     -2.735838
  H      -2.962418      0.224015     -1.807455
  H      -8.193866     -3.361510      1.916480
  H      -6.815294     -2.406344      1.299975
  H      -8.017130     -1.659837      2.381728
  H      -6.014414     -2.087418      3.664772
  H      -8.042892     -4.252707      4.406402
  H      -8.284103     -2.537067      4.714271
  H      -6.460579     -2.427879      6.291372
  H      -5.746263     -3.925663      5.688485
  H      -7.348972     -6.078561      5.878211
  H      -8.473429     -7.411266      7.620825
  H      -8.304852     -8.409170      9.602802
  H      -9.450435     -9.745063     11.342509
  H     -11.133270     -8.678908     12.836822
  H     -11.676980     -6.261101     12.549140
  H     -10.555623     -4.934239     10.789546
  H      -8.648504     -3.936284     10.158602
  H      -7.566946     -2.594745      8.389100
  H      -0.783515     -4.356526      5.963602
  H      -0.914853     -4.228903      7.736178
  H      -1.038727     -5.815923      6.950689
  H      -2.965300     -3.449630      6.600261
  H      -3.755472     -4.078791      8.597068
  H      -4.651316     -5.222580      7.615405
  H      -2.111643     -5.798025      9.247094
  H      -2.881956     -7.000633      8.212037
  H      -3.739435     -4.619851     11.018245
  H      -5.322268     -5.180427     12.823792
  H      -6.224451     -9.536548     13.188086
  H      -7.796998    -10.111079     15.012390
  H      -9.268818     -8.353921     15.998424
  H      -9.160657     -6.023647     15.117901
  H      -7.608358     -5.458819     13.275085
  H      -6.150017     -8.955195     10.928525
  H      -4.562525     -8.389817      9.117015
  N      -3.622833     -2.255073      4.475612
  N      -3.507999     -1.173824      4.853379
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637711058546
  N      -2.336794     -4.000194      2.443661
  C      -2.206817     -5.158435      1.559145
  C      -2.651248     -6.407993      2.307964
  N      -3.934810     -6.145273      3.010399
  C      -5.095840     -6.165384      2.083627
  C      -6.217635     -5.302396      2.641208
  N      -5.647962     -4.043254      3.112369
  Mo     -3.784414     -4.087921      3.807030
  N      -3.341097     -5.104972      5.454959
  C      -3.283828     -6.561503      5.352133
  C      -4.145077     -7.026197      4.186746
  H      -3.669516     -7.045890      6.266598
  H      -2.241610     -6.920543      5.228835
  H      -5.204138     -6.933534      4.465480
  H      -3.945822     -8.081853      3.927161
  H      -6.955753     -5.140904      1.836247
  H      -6.756001     -5.840389      3.447828
  H      -4.756577     -5.737824      1.130340
  H      -5.426057     -7.203519      1.900239
  H      -1.161415     -5.315252      1.239508
  H      -2.797242     -5.037714      0.626722
  H      -1.905424     -6.647826      3.078437
  H      -2.747456     -7.277520      1.633249
  C      -0.373191     -2.881059      1.318329
  C      -1.760657     -2.738312      1.948784
  C      -2.761196     -2.030532      1.016283
  C      -2.483428     -0.534843      0.793680
  C      -3.694576      0.152435      0.221058
  C      -4.789656      0.451241      1.047396
  C      -5.952647      1.011441      0.527781
  C      -6.068176      1.300610     -0.844106
  C      -7.307829      1.886855     -1.398263
  C      -7.262444      2.817335     -2.451759
  C      -8.432509      3.367764     -2.974168
  C      -9.676740      3.000695     -2.455080
  C      -9.738098      2.077478     -1.408055
  C      -8.567630      1.527277     -0.886370
  C      -4.967440      1.012111     -1.667934
  C      -3.804932      0.447316     -1.143439
  C      -7.457594     -2.586866      2.182373
  C      -6.613687     -2.970199      3.403674
  C      -7.502444     -3.310227      4.618215
  C      -6.705599     -3.433195      5.925080
  C      -7.389110     -4.230137      7.001135
  C      -7.635649     -5.601376      6.823028
  C      -8.258472     -6.359789      7.809081
  C      -8.661118     -5.779899      9.026485
  C      -9.344828     -6.579272     10.065827
  C      -9.059903     -7.945579     10.234176
  C      -9.700450     -8.697938     11.217081
  C     -10.646973     -8.103814     12.054087
  C     -10.947185     -6.749386     11.895272
  C     -10.304276     -5.996711     10.913799
  C      -8.395178     -4.413219      9.212688
  C      -7.775291     -3.656275      8.219038
  C      -1.290611     -4.762311      6.850486
  C      -2.800367     -4.537352      6.701588
  C      -3.625708     -4.962490      7.949270
  C      -3.076815     -6.107852      8.818795
  C      -4.030286     -6.464634      9.930930
  C      -4.278570     -5.569069     10.982069
  C      -5.178908     -5.880043     11.997477
  C      -5.860503     -7.109718     12.011064
  C      -6.800185     -7.448720     13.100704
  C      -6.876419     -8.757679     13.608002
  C      -7.757165     -9.075940     14.641134
  C      -8.583837     -8.091617     15.188809
  C      -8.521920     -6.788075     14.691040
  C      -7.639888     -6.470380     13.659510
  C      -5.610518     -8.006620     10.960389
  C      -4.719493     -7.684296      9.937627
  H       0.308381     -3.428222      1.986201
  H       0.058932     -1.886368      1.138107
  H      -0.409410     -3.404852      0.351153
  H      -1.650747     -2.095165      2.836480
  H      -3.755129     -2.130270      1.481826
  H      -2.814907     -2.548487      0.043154
  H      -1.616719     -0.391886      0.130384
  H      -2.229861     -0.080185      1.766483
  H      -4.722054      0.244477      2.119020
  H      -6.778773      1.253625      1.199167
  H      -6.294547      3.129906     -2.847929
  H      -8.371774      4.095190     -3.785896
  H     -10.592364      3.431816     -2.863211
  H     -10.704971      1.777093     -0.999817
  H      -8.628201      0.788483     -0.084878
  H      -5.033079      1.208634     -2.739888
  H      -2.968403      0.220349     -1.809402
  H      -8.193230     -3.364320      1.927695
  H      -6.815146     -2.410951      1.307854
  H      -8.015317     -1.662054      2.389829
  H      -6.010127     -2.088973      3.670831
  H      -8.040960     -4.250877      4.417145
  H      -8.278177     -2.534457      4.724328
  H      -6.454910     -2.430079      6.302786
  H      -5.742470     -3.927294      5.695740
  H      -7.334254     -6.081538      5.887615
  H      -8.460204     -7.416799      7.626254
  H      -8.298930     -8.412970      9.608014
  H      -9.445743     -9.751700     11.343677
  H     -11.138503     -8.690252     12.831571
  H     -11.688926     -6.274992     12.540630
  H     -10.565086     -4.944640     10.785554
  H      -8.659233     -3.939817     10.160139
  H      -7.574354     -2.596579      8.394982
  H      -0.770802     -4.370783      5.964214
  H      -0.904416     -4.236197      7.736249
  H      -1.031888     -5.825627      6.956211
  H      -2.950226     -3.453917      6.599323
  H      -3.739710     -4.079267      8.597752
  H      -4.643879     -5.217028      7.616101
  H      -2.108379     -5.804724      9.248331
  H      -2.881600     -7.005105      8.213229
  H      -3.748073     -4.613993     11.010425
  H      -5.334559     -5.172647     12.814338
  H      -6.218975     -9.528114     13.200438
  H      -7.792650    -10.096816     15.026429
  H      -9.274790     -8.339883     15.996298
  H      -9.176918     -6.015614     15.098189
  H      -7.621599     -5.456738     13.255373
  H      -6.142762     -8.959017     10.933833
  H      -4.553345     -8.394815      9.123667
  N      -3.618721     -2.259395      4.477932
  N      -3.502628     -1.177800      4.854817
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637718587550
  N      -2.339419     -3.998607      2.446740
  C      -2.210414     -5.156275      1.561019
  C      -2.653164     -6.406522      2.309818
  N      -3.936200     -6.144496      3.013643
  C      -5.098102     -6.163428      2.087785
  C      -6.219087     -5.300208      2.646479
  N      -5.648300     -4.041606      3.117528
  Mo     -3.784434     -4.087946      3.812114
  N      -3.337527     -5.106725      5.457759
  C      -3.283254     -6.563334      5.354694
  C      -4.145667     -7.026416      4.189390
  H      -3.670347     -7.047379      6.268749
  H      -2.241787     -6.924482      5.231634
  H      -5.204702     -6.934486      4.468359
  H      -3.946423     -8.081830      3.928652
  H      -6.957586     -5.138345      1.841948
  H      -6.757681     -5.838186      3.452996
  H      -4.759087     -5.735438      1.134627
  H      -5.428950     -7.201227      1.903637
  H      -1.165553     -5.312330      1.239263
  H      -2.802469     -5.035109      0.629743
  H      -1.906568     -6.645669      3.079767
  H      -2.749471     -7.276200      1.635345
  C      -0.377922     -2.878072      1.319125
  C      -1.765215     -2.736468      1.950341
  C      -2.767017     -2.030366      1.017747
  C      -2.490757     -0.534483      0.795285
  C      -3.700817      0.152086      0.219701
  C      -4.797947      0.451251      1.043068
  C      -5.959183      1.012298      0.520398
  C      -6.070660      1.301906     -0.851727
  C      -7.307937      1.890370     -1.409047
  C      -7.257949      2.820721     -2.462457
  C      -8.425587      3.373371     -2.987917
  C      -9.671832      3.008674     -2.472065
  C      -9.737767      2.085631     -1.425198
  C      -8.569745      1.533183     -0.900423
  C      -4.968131      1.012332     -1.672759
  C      -3.807454      0.446706     -1.145159
  C      -7.457372     -2.584716      2.186745
  C      -6.612714     -2.967094      3.407938
  C      -7.501782     -3.305114      4.622898
  C      -6.705136     -3.430449      5.929874
  C      -7.388778     -4.228704      7.004620
  C      -7.633792     -5.600137      6.825839
  C      -8.256392     -6.359643      7.811158
  C      -8.660604     -5.780706      9.028471
  C      -9.343810     -6.580997     10.067343
  C      -9.056730     -7.946778     10.236166
  C      -9.696416     -8.700205     11.218865
  C     -10.644342     -8.107503     12.055307
  C     -10.946684     -6.753551     11.896011
  C     -10.304627     -5.999969     10.914733
  C      -8.396678     -4.413708      9.215186
  C      -7.776771     -3.655638      8.222325
  C      -1.284138     -4.770647      6.851315
  C      -2.793227     -4.541093      6.703754
  C      -3.618755     -4.964048      7.952086
  C      -3.074590     -6.113176      8.819201
  C      -4.028464     -6.468474      9.931564
  C      -4.279039     -5.571574     10.980995
  C      -5.179779     -5.882566     11.996077
  C      -5.859459     -7.113314     12.010890
  C      -6.799769     -7.451480     13.100444
  C      -6.874550     -8.759454     13.610300
  C      -7.756033     -9.076740     14.643102
  C      -8.584913     -8.092532     15.187549
  C      -8.524484     -6.789942     14.687047
  C      -7.641650     -6.473132     13.655956
  C      -5.607248     -8.011605     10.962105
  C      -4.715733     -7.689236      9.939774
  H       0.303933     -3.426053      1.986040
  H       0.054116     -1.883114      1.140263
  H      -0.414322     -3.400549      0.351230
  H      -1.655342     -2.092430      2.837356
  H      -3.760914     -2.131696      1.483014
  H      -2.819468     -2.548136      0.044461
  H      -1.622728     -0.390955      0.133818
  H      -2.239492     -0.079371      1.768482
  H      -4.733374      0.244137      2.114815
  H      -6.786957      1.255078      1.189505
  H      -6.288338      3.131383     -2.855891
  H      -8.361364      4.100716     -3.799448
  H     -10.585556      3.441512     -2.882635
  H     -10.706299      1.787074     -1.019566
  H      -8.633676      0.794552     -0.099071
  H      -5.031098      1.208652     -2.744899
  H      -2.969424      0.218925     -1.808951
  H      -8.193683     -3.361983      1.933579
  H      -6.815360     -2.410510      1.311529
  H      -8.014433     -1.659259      2.393029
  H      -6.008458     -2.085980      3.673539
  H      -8.042787     -4.244352      4.422025
  H      -8.275242     -2.527090      4.729238
  H      -6.453295     -2.428338      6.309395
  H      -5.742576     -3.924718      5.698477
  H      -7.331525     -6.079578      5.890337
  H      -8.456350     -7.416861      7.627560
  H      -8.294940     -8.413289      9.610354
  H      -9.439650     -9.753438     11.345573
  H     -11.135221     -8.694309     12.832908
  H     -11.689516     -6.280519     12.541119
  H     -10.567327     -4.948357     10.786441
  H      -8.662403     -3.940561     10.162291
  H      -7.577146     -2.595853      8.399153
  H      -0.763715     -4.381931      5.964185
  H      -0.896235     -4.244174      7.736129
  H      -1.028106     -5.834456      6.958701
  H      -2.939778     -3.457046      6.602477
  H      -3.726317     -4.081309      8.602346
  H      -4.638736     -5.212440      7.619954
  H      -2.104706     -5.814455      9.248880
  H      -2.882664     -7.010563      8.212783
  H      -3.750189     -4.615572     11.008392
  H      -5.337793     -5.174456     12.811830
  H      -6.215480     -9.529547     13.204734
  H      -7.790420    -10.096773     15.030735
  H      -9.276298     -8.340254     15.994831
  H      -9.181452     -6.017734     15.091479
  H      -7.624196     -5.460511     13.249303
  H      -6.137999     -8.964840     10.936019
  H      -4.547923     -8.400428      9.126738
  N      -3.617851     -2.259877      4.482780
  N      -3.501101     -1.178132      4.859106
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637725582876
  N      -2.337622     -3.999384      2.444514
  C      -2.210015     -5.156118      1.556973
  C      -2.649190     -6.407680      2.305685
  N      -3.930685     -6.147578      3.013279
  C      -5.094777     -6.165784      2.090026
  C      -6.214567     -5.303160      2.651780
  N      -5.642876     -4.044951      3.122636
  Mo     -3.777714     -4.092602      3.814387
  N      -3.325957     -5.113874      5.456940
  C      -3.273147     -6.570531      5.352477
  C      -4.137048     -7.032125      4.187602
  H      -3.660417     -7.055174      6.266153
  H      -2.232108     -6.932436      5.228564
  H      -5.195921     -6.942781      4.467943
  H      -3.936418     -8.086625      3.924187
  H      -6.954413     -5.140990      1.848541
  H      -6.752156     -5.841669      3.458667
  H      -4.757895     -5.736881      1.136527
  H      -5.425693     -7.203496      1.905511
  H      -1.166004     -5.310615      1.231771
  H      -2.804965     -5.034359      0.627668
  H      -1.900336     -6.646331      3.073642
  H      -2.746365     -7.277105      1.631038
  C      -0.381104     -2.876105      1.311108
  C      -1.766704     -2.736407      1.946534
  C      -2.771949     -2.030854      1.017174
  C      -2.497687     -0.534472      0.796104
  C      -3.708322      0.152132      0.221912
  C      -4.805138      0.450405      1.045916
  C      -5.966384      1.012459      0.524280
  C      -6.078019      1.303999     -0.847406
  C      -7.314915      1.894532     -1.403576
  C      -7.263939      2.826474     -2.455554
  C      -8.431011      3.381261     -2.980009
  C      -9.677572      3.017177     -2.464534
  C      -9.744492      2.092590     -1.419102
  C      -8.577056      1.537966     -0.895331
  C      -4.975909      1.014874     -1.669228
  C      -3.815297      0.448229     -1.142635
  C      -7.451799     -2.588182      2.190434
  C      -6.606507     -2.969494      3.411624
  C      -7.495791     -3.305911      4.626809
  C      -6.699684     -3.432131      5.934150
  C      -7.384405     -4.230954      7.007684
  C      -7.624041     -5.603494      6.830302
  C      -8.248663     -6.363362      7.814061
  C      -8.660704     -5.783624      9.028282
  C      -9.346250     -6.584377     10.065296
  C      -9.054188     -7.948457     10.238700
  C      -9.696013     -8.702708     11.219428
  C     -10.651034     -8.112379     12.049345
  C     -10.958154     -6.759998     11.885654
  C     -10.314067     -6.005647     10.906290
  C      -8.402336     -4.415394      9.213801
  C      -7.780026     -3.656981      8.222559
  C      -1.271648     -4.785897      6.851904
  C      -2.779573     -4.550094      6.702779
  C      -3.608179     -4.968574      7.950614
  C      -3.070547     -6.119831      8.818656
  C      -4.026716     -6.470044      9.930776
  C      -4.281653     -5.567956     10.974682
  C      -5.184483     -5.875243     11.988961
  C      -5.862032     -7.107106     12.008594
  C      -6.805384     -7.440337     13.097144
  C      -6.879945     -8.745463     13.614243
  C      -7.764430     -9.057914     14.645956
  C      -8.596430     -8.071672     15.181880
  C      -8.536110     -6.771906     14.674130
  C      -7.650363     -6.459865     13.644158
  C      -5.605213     -8.010832     10.965711
  C      -4.711530     -7.692139      9.944059
  H       0.302585     -3.425569      1.974947
  H       0.050368     -1.880657      1.133654
  H      -0.419913     -3.396282      0.342051
  H      -1.654898     -2.092468      2.833392
  H      -3.764639     -2.134226      1.484580
  H      -2.825646     -2.547238      0.043214
  H      -1.630091     -0.389414      0.134390
  H      -2.246155     -0.080239      1.769670
  H      -4.740286      0.241779      2.117374
  H      -6.793990      1.254651      1.193810
  H      -6.293927      3.136567     -2.848442
  H      -8.366108      4.109811     -3.790413
  H     -10.590855      3.451714     -2.874318
  H     -10.713347      1.794548     -1.013847
  H      -8.641574      0.798103     -0.095179
  H      -5.039321      1.212507     -2.741099
  H      -2.977501      0.220958     -1.806904
  H      -8.189109     -3.365077      1.939090
  H      -6.810326     -2.416016      1.314373
  H      -8.007819     -1.661814      2.395416
  H      -6.001895     -2.088202      3.675700
  H      -8.038163     -4.244419      4.426251
  H      -8.267855     -2.526405      4.732814
  H      -6.447778     -2.430415      6.314650
  H      -5.737233     -3.926004      5.701679
  H      -7.315957     -6.083554      5.896982
  H      -8.443748     -7.421661      7.631355
  H      -8.286901     -8.413005      9.618172
  H      -9.435113     -9.754498     11.349562
  H     -11.143691     -8.699436     12.825644
  H     -11.706361     -6.289048     12.526052
  H     -10.580508     -4.955366     10.774710
  H      -8.674544     -3.941138     10.158508
  H      -7.585046     -2.596198      8.398567
  H      -0.748773     -4.401566      5.964304
  H      -0.882889     -4.258263      7.735679
  H      -1.019476     -5.850246      6.962840
  H      -2.921367     -3.465385      6.601236
  H      -3.711505     -4.085076      8.600488
  H      -4.628985     -5.211742      7.617145
  H      -2.099477     -5.825516      9.248984
  H      -2.882128     -7.019043      8.213862
  H      -3.754899     -4.610704     10.998370
  H      -5.346465     -5.163258     12.800541
  H      -6.218264     -9.516704     13.215158
  H      -7.798779    -10.075680     15.039539
  H      -9.290105     -8.315799     15.988304
  H      -9.195598     -5.998344     15.071835
  H      -7.632739     -5.449705     13.231442
  H      -6.133999     -8.965246     10.942848
  H      -4.540170     -8.407308      9.135258
  N      -3.610945     -2.264658      4.485776
  N      -3.494154     -1.182884      4.861858
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637734468027
  N      -2.334433     -3.998110      2.446168
  C      -2.206661     -5.154493      1.557791
  C      -2.644603     -6.406866      2.305575
  N      -3.925766     -6.147956      3.014327
  C      -5.090267     -6.163849      2.091591
  C      -6.208641     -5.300539      2.654857
  N      -5.635379     -4.043424      3.126634
  Mo     -3.770293     -4.095430      3.819828
  N      -3.316038     -5.121438      5.458518
  C      -3.267979     -6.578129      5.352147
  C      -4.132315     -7.035673      4.186018
  H      -3.658205     -7.062637      6.264654
  H      -2.227963     -6.943105      5.229091
  H      -5.191249     -6.947265      4.466364
  H      -3.931737     -8.089368      3.919345
  H      -6.948316     -5.137076      1.851701
  H      -6.747057     -5.839049      3.461237
  H      -4.753619     -5.734187      1.138361
  H      -5.422034     -7.201112      1.906084
  H      -1.162801     -5.308012      1.231699
  H      -2.802279     -5.032083      0.629017
  H      -1.895232     -6.645525      3.073093
  H      -2.741718     -7.275966      1.630483
  C      -0.382374     -2.872232      1.307845
  C      -1.766777     -2.734443      1.946303
  C      -2.774906     -2.030328      1.019067
  C      -2.503449     -0.533289      0.799040
  C      -3.715247      0.152076      0.225926
  C      -4.812069      0.448460      1.050518
  C      -5.974383      1.009076      0.529629
  C      -6.087001      1.301087     -0.841849
  C      -7.325010      1.890105     -1.397265
  C      -7.275549      2.823033     -2.448485
  C      -8.443514      3.376523     -2.972315
  C      -9.689442      3.010185     -2.456916
  C      -9.754870      2.084595     -1.412259
  C      -8.586551      1.531220     -0.889156
  C      -4.984762      1.013915     -1.664332
  C      -3.823174      0.448657     -1.138495
  C      -7.441029     -2.584828      2.188931
  C      -6.597625     -2.965972      3.411533
  C      -7.489381     -3.299148      4.625874
  C      -6.695056     -3.427324      5.933969
  C      -7.381427     -4.226206      7.006392
  C      -7.620216     -5.598930      6.829516
  C      -8.246587     -6.358422      7.812627
  C      -8.660983     -5.778101      9.025674
  C      -9.347483     -6.578649     10.062390
  C      -9.054123     -7.942157     10.237562
  C      -9.696621     -8.696182     11.218077
  C     -10.653261     -8.106088     12.046075
  C     -10.961440     -6.754142     11.880883
  C     -10.317004     -5.999980     10.901543
  C      -8.403684     -4.409623      9.210779
  C      -7.779836     -3.651581      8.220155
  C      -1.259282     -4.804023      6.852642
  C      -2.765908     -4.560096      6.703603
  C      -3.596793     -4.973484      7.951538
  C      -3.067361     -6.129960      8.817468
  C      -4.026341     -6.475966      9.928687
  C      -4.284176     -5.570509     10.968976
  C      -5.188857     -5.875069     11.982298
  C      -5.865523     -7.107387     12.004984
  C      -6.811487     -7.437299     13.092286
  C      -6.886263     -8.740557     13.614155
  C      -7.773288     -9.049814     14.644642
  C      -8.607526     -8.062178     15.174540
  C      -8.546896     -6.764333     14.662089
  C      -7.658746     -6.455470     13.633338
  C      -5.605600     -8.014653     10.965977
  C      -4.709971     -7.698689      9.945076
  H       0.302822     -3.422248      1.969721
  H       0.048233     -1.876277      1.131145
  H      -0.422609     -3.391099      0.338128
  H      -1.654130     -2.090085      2.832798
  H      -3.766717     -2.136019      1.487838
  H      -2.828989     -2.545785      0.044624
  H      -1.636218     -0.386154      0.137307
  H      -2.252319     -0.079479      1.772952
  H      -4.746416      0.239268      2.121853
  H      -6.802217      1.249592      1.199503
  H      -6.305982      3.134802     -2.841159
  H      -8.379870      4.105807     -3.782173
  H     -10.603431      3.443769     -2.866168
  H     -10.723257      1.784877     -1.007094
  H      -8.649756      0.790418     -0.089767
  H      -5.048970      1.212064     -2.736070
  H      -2.985236      0.222912     -1.803117
  H      -8.180409     -3.360123      1.938688
  H      -6.798717     -2.415973      1.312808
  H      -7.994601     -1.656484      2.391649
  H      -5.991914     -2.085150      3.674843
  H      -8.034271     -4.236083      4.424854
  H      -8.258947     -2.516926      4.730454
  H      -6.442206     -2.426236      6.315560
  H      -5.732962     -3.921442      5.700739
  H      -7.310030     -6.079639      5.897179
  H      -8.440258     -7.417098      7.630441
  H      -8.285156     -8.406271      9.618897
  H      -9.434617     -9.747557     11.349353
  H     -11.146437     -8.692742     12.822384
  H     -11.710574     -6.283505     12.520406
  H     -10.583916     -4.949905     10.769109
  H      -8.677900     -3.934690     10.154567
  H      -7.585875     -2.590565      8.395926
  H      -0.734538     -4.423959      5.964297
  H      -0.868028     -4.276314      7.735322
  H      -1.012113     -5.869243      6.966124
  H      -2.901863     -3.474583      6.601993
  H      -3.693025     -4.089882      8.602260
  H      -4.619368     -5.208317      7.617383
  H      -2.094197     -5.843493      9.248578
  H      -2.884777     -7.029814      8.211854
  H      -3.758372     -4.612691     10.990763
  H      -5.353160     -5.160669     12.791305
  H      -6.222443     -9.512468     13.219947
  H      -7.807971    -10.066069     15.042106
  H      -9.303267     -8.303955     15.979913
  H      -9.208047     -5.989818     15.055203
  H      -7.640772     -5.446912     13.216709
  H      -6.133461     -8.969616     10.944742
  H      -4.536012     -8.416622      9.139288
  N      -3.603008     -2.267377      4.492570
  N      -3.486038     -1.185501      4.868050
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637745033891
  N      -2.325577     -3.997215      2.444321
  C      -2.196871     -5.152521      1.554365
  C      -2.632122     -6.406738      2.300223
  N      -3.912390     -6.150640      3.011617
  C      -5.078098     -6.163422      2.090367
  C      -6.194588     -5.300447      2.657557
  N      -5.619673     -4.044802      3.131510
  Mo     -3.754194     -4.102413      3.824877
  N      -3.297492     -5.136365      5.457647
  C      -3.253248     -6.592723      5.346854
  C      -4.118110     -7.044237      4.178824
  H      -3.645517     -7.078702      6.257704
  H      -2.214068     -6.959779      5.223405
  H      -5.176970     -6.957884      4.460067
  H      -3.917083     -8.096338      3.906351
  H      -6.934884     -5.134636      1.855422
  H      -6.732755     -5.840143      3.463337
  H      -4.743009     -5.731709      1.137516
  H      -5.410482     -7.200170      1.903177
  H      -1.153067     -5.303904      1.227115
  H      -2.793511     -5.029199      0.626324
  H      -1.881372     -6.646128      3.066240
  H      -2.729285     -7.274593      1.623484
  C      -0.381396     -2.865670      1.298437
  C      -1.763368     -2.731756      1.942902
  C      -2.776835     -2.028829      1.020690
  C      -2.509714     -0.530654      0.802515
  C      -3.724799      0.152943      0.234299
  C      -4.819362      0.446177      1.062968
  C      -5.984868      1.004388      0.546574
  C      -6.103079      1.297030     -0.824260
  C      -7.344825      1.882538     -1.374947
  C      -7.301853      2.817267     -2.424888
  C      -8.473348      3.367523     -2.944243
  C      -9.716403      2.996118     -2.425484
  C      -9.775379      2.068650     -1.382064
  C      -8.603524      1.518488     -0.863495
  C      -5.002847      1.013466     -1.650820
  C      -3.838078      0.450648     -1.129510
  C      -7.421186     -2.584431      2.185793
  C      -6.580878     -2.965432      3.410600
  C      -7.476281     -3.295423      4.623273
  C      -6.684723     -3.424899      5.932654
  C      -7.373691     -4.223235      7.003878
  C      -7.610748     -5.596368      6.828215
  C      -8.241279     -6.354664      7.809786
  C      -8.661418     -5.772624      9.019972
  C      -9.352825     -6.572041     10.054583
  C      -9.059347     -7.934991     10.233272
  C      -9.706976     -8.688181     11.211090
  C     -10.668647     -8.097727     12.032723
  C     -10.976783     -6.746201     11.864195
  C     -10.327421     -5.992717     10.887494
  C      -8.405593     -4.403755      9.204213
  C      -7.777780     -3.646987      8.215099
  C      -1.239278     -4.833112      6.853148
  C      -2.743876     -4.577917      6.702216
  C      -3.579810     -4.983461      7.949405
  C      -3.062693     -6.145895      8.814577
  C      -4.026592     -6.483707      9.924336
  C      -4.286011     -5.572132     10.958909
  C      -5.194234     -5.869456     11.971015
  C      -5.873310     -7.100350     11.998817
  C      -6.823859     -7.421845     13.084499
  C      -6.903228     -8.721697     13.614350
  C      -7.793960     -9.022378     14.644192
  C      -8.627231     -8.029339     15.165652
  C      -8.562118     -6.734996     14.645163
  C      -7.670452     -6.434757     13.616981
  C      -5.611479     -8.013993     10.965777
  C      -4.712097     -7.705314      9.945785
  H       0.307392     -3.415695      1.956631
  H       0.046712     -1.868567      1.122032
  H      -0.424484     -3.382829      0.327912
  H      -1.648753     -2.087982      2.829630
  H      -3.766726     -2.137818      1.492763
  H      -2.833288     -2.542559      0.045454
  H      -1.644661     -0.380162      0.138692
  H      -2.256890     -0.077993      1.776562
  H      -4.749374      0.236282      2.133912
  H      -6.811149      1.242125      1.219402
  H      -6.334540      3.132841     -2.820135
  H      -8.414817      4.098185     -3.753266
  H     -10.633163      3.427239     -2.831159
  H     -10.741492      1.765102     -0.974292
  H      -8.661587      0.776115     -0.065137
  H      -5.071152      1.212714     -2.722127
  H      -3.001677      0.227744     -1.797039
  H      -8.163201     -3.357559      1.936476
  H      -6.777561     -2.419529      1.309892
  H      -7.971552     -1.653551      2.385781
  H      -5.974358     -2.085094      3.673997
  H      -8.022846     -4.231203      4.421279
  H      -8.244045     -2.511073      4.725417
  H      -6.431645     -2.424069      6.314878
  H      -5.722729     -3.919016      5.699670
  H      -7.296105     -6.078483      5.898062
  H      -8.433541     -7.413780      7.628592
  H      -8.286121     -8.398936      9.619882
  H      -9.445006     -9.739253     11.345015
  H     -11.166133     -8.683718     12.806826
  H     -11.729730     -6.275494     12.499099
  H     -10.594033     -4.942918     10.752216
  H      -8.684457     -3.927408     10.145938
  H      -7.585640     -2.585444      8.389844
  H      -0.710961     -4.458779      5.964465
  H      -0.845133     -4.305885      7.734882
  H      -0.999710     -5.899679      6.969835
  H      -2.871404     -3.491436      6.599492
  H      -3.668630     -4.099085      8.600008
  H      -4.603938     -5.208159      7.612932
  H      -2.086873     -5.870344      9.246878
  H      -2.888745     -7.047194      8.208609
  H      -3.758879     -4.614976     10.977307
  H      -5.359621     -5.150279     12.775608
  H      -6.239657     -9.497453     13.227295
  H      -7.832327    -10.036021     15.047966
  H      -9.325964     -8.264476     15.970425
  H      -9.222328     -5.956388     15.031769
  H      -7.648824     -5.428794     13.194240
  H      -6.140486     -8.968466     10.947885
  H      -4.536683     -8.428253      9.144796
  N      -3.587707     -2.274410      4.500856
  N      -3.471677     -1.192527      4.876115
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637759001451
  N      -2.311955     -3.996730      2.439850
  C      -2.181526     -5.150920      1.548738
  C      -2.613842     -6.407028      2.292621
  N      -3.892945     -6.154174      3.006944
  C      -5.060401     -6.163806      2.087808
  C      -6.174753     -5.301542      2.660176
  N      -5.598045     -4.047246      3.136205
  Mo     -3.732167     -4.110790      3.828683
  N      -3.276055     -5.153579      5.455772
  C      -3.232044     -6.609135      5.339237
  C      -4.097300     -7.054420      4.169175
  H      -3.624472     -7.098296      6.248333
  H      -2.192973     -6.975843      5.214180
  H      -5.155923     -6.970325      4.451961
  H      -3.895767     -8.104655      3.890151
  H      -6.916487     -5.133021      1.859952
  H      -6.711504     -5.842795      3.465843
  H      -4.727708     -5.729697      1.135217
  H      -5.393323     -7.200074      1.899048
  H      -1.137521     -5.299951      1.221010
  H      -2.778716     -5.027201      0.621012
  H      -1.861500     -6.647609      3.056744
  H      -2.711025     -7.273230      1.613654
  C      -0.377085     -2.858051      1.285563
  C      -1.756112     -2.729025      1.937107
  C      -2.776006     -2.027581      1.020974
  C      -2.513755     -0.528278      0.803484
  C      -3.733821      0.152767      0.242902
  C      -4.823668      0.443404      1.078687
  C      -5.994155      0.997982      0.569719
  C      -6.122477      1.289314     -0.800452
  C      -7.370314      1.868935     -1.343266
  C      -7.338717      2.803968     -2.393346
  C      -8.516221      3.348475     -2.905135
  C      -9.754116      2.970877     -2.378467
  C      -9.801781      2.042941     -1.334844
  C      -8.623897      1.498552     -0.823892
  C      -5.026614      1.009189     -1.634027
  C      -3.856765      0.450104     -1.120190
  C      -7.393523     -2.584695      2.178922
  C      -6.557845     -2.965129      3.407051
  C      -7.458330     -3.290341      4.617467
  C      -6.670706     -3.420206      5.928857
  C      -7.364249     -4.215702      6.999284
  C      -7.603146     -5.588644      6.825126
  C      -8.238938     -6.343956      7.805719
  C      -8.662298     -5.758923      9.013327
  C      -9.359698     -6.555379     10.046386
  C      -9.070278     -7.918800     10.227518
  C      -9.723722     -8.669265     11.203525
  C     -10.686953     -8.075508     12.020771
  C     -10.991034     -6.723403     11.849834
  C     -10.336068     -5.972484     10.874799
  C      -8.404204     -4.390323      9.196381
  C      -7.771488     -3.636627      8.208159
  C      -1.220525     -4.859857      6.857695
  C      -2.723020     -4.596035      6.700840
  C      -3.566270     -4.994399      7.945537
  C      -3.060672     -6.161040      8.811791
  C      -4.030241     -6.491610      9.919006
  C      -4.290906     -5.575146     10.949007
  C      -5.203176     -5.865930     11.959276
  C      -5.885547     -7.094951     11.990273
  C      -6.840421     -7.409788     13.073808
  C      -6.924568     -8.707025     13.609491
  C      -7.819397     -9.000968     14.637721
  C      -8.652161     -8.003607     15.151937
  C      -8.582458     -6.711970     14.625552
  C      -7.686732     -6.418552     13.598960
  C      -5.622308     -8.013385     10.961732
  C      -4.718714     -7.711436      9.943434
  H       0.316782     -3.406158      1.940043
  H       0.046841     -1.859424      1.107578
  H      -0.423292     -3.374862      0.314994
  H      -1.639243     -2.086231      2.824289
  H      -3.763423     -2.139511      1.497484
  H      -2.836377     -2.540264      0.045420
  H      -1.652607     -0.374600      0.135354
  H      -2.257017     -0.076281      1.776818
  H      -4.745987      0.234199      2.149226
  H      -6.816848      1.233381      1.247785
  H      -6.375549      3.124242     -2.794942
  H      -8.466531      4.079427     -3.714496
  H     -10.675584      3.397532     -2.778158
  H     -10.763762      1.734624     -0.920916
  H      -8.673153      0.755715     -0.025336
  H      -5.102226      1.208298     -2.704893
  H      -3.023830      0.229768     -1.792894
  H      -8.138819     -3.355014      1.930537
  H      -6.747860     -2.424979      1.303626
  H      -7.939784     -1.650557      2.375160
  H      -5.950209     -2.085655      3.670994
  H      -8.006439     -4.225128      4.414762
  H      -8.224578     -2.503991      4.715589
  H      -6.416950     -2.419280      6.310519
  H      -5.709031     -3.915651      5.698258
  H      -7.285728     -6.073096      5.897129
  H      -8.432989     -7.402985      7.625980
  H      -8.295388     -8.384719      9.617715
  H      -9.465209     -9.720952     11.339498
  H     -11.189159     -8.659621     12.793273
  H     -11.745111     -6.250210     12.481507
  H     -10.599104     -4.922101     10.737163
  H      -8.685322     -3.912045     10.136464
  H      -7.577888     -2.575084      8.381425
  H      -0.687023     -4.489948      5.970248
  H      -0.826239     -4.333321      7.739787
  H      -0.987638     -5.927540      6.977288
  H      -2.843511     -3.508963      6.595566
  H      -3.651907     -4.109049      8.595162
  H      -4.590474     -5.211840      7.604531
  H      -2.083209     -5.894725      9.246089
  H      -2.893557     -7.063503      8.205661
  H      -3.761618     -4.619159     10.965569
  H      -5.368914     -5.142761     12.760262
  H      -6.261491     -9.486219     13.228494
  H      -7.861513    -10.012692     15.045908
  H      -9.354299     -8.233441     15.955284
  H      -9.242036     -5.930018     15.006471
  H      -7.661797     -5.414505     13.171817
  H      -6.153274     -8.966828     10.945938
  H      -4.542408     -8.438452      9.146342
  N      -3.568083     -2.282717      4.507378
  N      -3.454329     -1.200321      4.881637
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637783316100
  N      -2.290540     -3.994783      2.432105
  C      -2.157255     -5.146607      1.538670
  C      -2.584721     -6.406044      2.279208
  N      -3.861823     -6.158663      2.998403
  C      -5.032712     -6.164080      2.083246
  C      -6.144232     -5.304273      2.664853
  N      -5.565638     -4.051422      3.144077
  Mo     -3.698732     -4.122075      3.832835
  N      -3.245891     -5.178066      5.452221
  C      -3.196517     -6.631856      5.325836
  C      -4.062831     -7.068934      4.153566
  H      -3.585235     -7.128414      6.232472
  H      -2.156519     -6.994090      5.195720
  H      -5.120822     -6.988396      4.439701
  H      -3.860484     -8.116289      3.864807
  H      -6.889503     -5.131831      1.868852
  H      -6.676915     -5.849022      3.470814
  H      -4.704471     -5.725604      1.131124
  H      -5.366003     -7.199695      1.891782
  H      -1.112935     -5.291702      1.210065
  H      -2.755405     -5.022440      0.611482
  H      -1.829724     -6.648780      3.040020
  H      -2.681908     -7.269231      1.596222
  C      -0.369945     -2.843434      1.266928
  C      -1.744910     -2.723048      1.928302
  C      -2.774528     -2.024505      1.020863
  C      -2.519978     -0.523667      0.803252
  C      -3.747366      0.152678      0.252970
  C      -4.830303      0.440599      1.098707
  C      -6.007626      0.989919      0.599990
  C      -6.150389      1.278167     -0.769398
  C      -7.406589      1.849490     -1.301184
  C      -7.391283      2.783560     -2.352446
  C      -8.577226      3.319763     -2.853452
  C      -9.807565      2.934531     -2.314598
  C      -9.839021      2.007307     -1.269693
  C      -8.652671      1.471311     -0.769528
  C      -5.061145      1.001721     -1.612755
  C      -3.884224      0.448133     -1.109217
  C      -7.354017     -2.587330      2.171332
  C      -6.524111     -2.966022      3.403844
  C      -7.431305     -3.285272      4.611361
  C      -6.649129     -3.414973      5.925820
  C      -7.349225     -4.205900      6.995439
  C      -7.594393     -5.577793      6.821854
  C      -8.238327     -6.328472      7.800730
  C      -8.663574     -5.739600      9.005919
  C      -9.371703     -6.530745     10.035905
  C      -9.093186     -7.896247     10.218670
  C      -9.757418     -8.641619     11.191198
  C     -10.720716     -8.040602     12.003049
  C     -11.014245     -6.686450     11.830154
  C     -10.348442     -5.940453     10.858630
  C      -8.398257     -4.372339      9.188806
  C      -7.757793     -3.623362      8.202183
  C      -1.197784     -4.892866      6.866577
  C      -2.697621     -4.620780      6.699424
  C      -3.551939     -5.012152      7.939113
  C      -3.060503     -6.182995      8.807788
  C      -4.037303     -6.504548      9.911456
  C      -4.294910     -5.583783     10.938444
  C      -5.212273     -5.865541     11.946642
  C      -5.903396     -7.089634     11.978953
  C      -6.863052     -7.395217     13.060546
  C      -6.957345     -8.689947     13.600697
  C      -7.855952     -8.974116     14.628394
  C      -8.682705     -7.969239     15.137922
  C      -8.603394     -6.680154     14.606739
  C      -7.703784     -6.396637     13.580679
  C      -5.643277     -8.012141     10.953053
  C      -4.734427     -7.719399      9.936739
  H       0.332265     -3.386756      1.916493
  H       0.046077     -1.842077      1.085545
  H      -0.419750     -3.360851      0.296860
  H      -1.625408     -2.082022      2.816416
  H      -3.758259     -2.140673      1.503808
  H      -2.840653     -2.536529      0.045337
  H      -1.664673     -0.365715      0.128674
  H      -2.257711     -0.071667      1.775080
  H      -4.741762      0.233404      2.168760
  H      -6.824833      1.223176      1.285419
  H      -6.434245      3.109660     -2.763971
  H      -8.540136      4.050142     -3.664014
  H     -10.735633      3.354670     -2.705826
  H     -10.794927      1.693028     -0.846275
  H      -8.689368      0.729015      0.030254
  H      -5.147157      1.199469     -2.683121
  H      -3.056519      0.230495     -1.789226
  H      -8.103035     -3.354489      1.924198
  H      -6.705887     -2.433976      1.296823
  H      -7.895559     -1.649360      2.362631
  H      -5.915704     -2.087466      3.668957
  H      -7.980681     -4.219262      4.407831
  H      -8.196453     -2.497204      4.703973
  H      -6.394351     -2.413743      6.306161
  H      -5.688090     -3.912916      5.699497
  H      -7.275841     -6.064917      5.895687
  H      -8.438620     -7.386428      7.621648
  H      -8.318313     -8.367318      9.612790
  H      -9.507928     -9.695290     11.328909
  H     -11.231621     -8.621299     12.772440
  H     -11.768676     -6.207694     12.457129
  H     -10.603056     -4.888362     10.718387
  H      -8.680577     -3.891918     10.127452
  H      -7.559086     -2.562548      8.374315
  H      -0.656499     -4.526003      5.982585
  H      -0.805735     -4.368840      7.751120
  H      -0.972585     -5.962015      6.987598
  H      -2.810786     -3.533180      6.591005
  H      -3.636986     -4.125872      8.587562
  H      -4.575041     -5.222932      7.590818
  H      -2.081659     -5.927285      9.245106
  H      -2.901184     -7.086513      8.201106
  H      -3.759079     -4.631451     10.954710
  H      -5.374590     -5.138594     12.744955
  H      -6.299317     -9.475514     13.223976
  H      -7.905664     -9.984160     15.039860
  H      -9.387907     -8.191257     15.940779
  H      -9.258108     -5.892224     14.983693
  H      -7.671620     -5.394037     13.150586
  H      -6.180403     -8.962255     10.938293
  H      -4.561092     -8.449952      9.142216
  N      -3.540325     -2.294299      4.515025
  N      -3.431901     -1.210893      4.887786
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637818894634
  N      -2.258813     -3.993972      2.417109
  C      -2.123797     -5.142475      1.520163
  C      -2.544012     -6.405974      2.257590
  N      -3.817330     -6.165513      2.985039
  C      -4.994946     -6.167169      2.077664
  C      -6.102773     -5.311641      2.673187
  N      -5.522454     -4.059313      3.154407
  Mo     -3.652863     -4.135572      3.831776
  N      -3.207215     -5.204903      5.444565
  C      -3.141509     -6.655884      5.305819
  C      -4.010204     -7.087152      4.133160
  H      -3.519654     -7.164739      6.210064
  H      -2.098657     -7.006144      5.166109
  H      -5.066973     -7.012744      4.425319
  H      -3.805373     -8.130840      3.833511
  H      -6.855208     -5.135741      1.884931
  H      -6.626968     -5.861446      3.481219
  H      -4.674572     -5.723126      1.125451
  H      -5.328335     -7.202230      1.883601
  H      -1.079797     -5.282752      1.188319
  H      -2.724970     -5.018085      0.594836
  H      -1.784360     -6.650859      3.013007
  H      -2.642256     -7.265566      1.570035
  C      -0.357888     -2.825657      1.237095
  C      -1.727248     -2.716899      1.911518
  C      -2.770244     -2.023179      1.015509
  C      -2.526119     -0.520760      0.795656
  C      -3.763704      0.148969      0.260230
  C      -4.835880      0.435102      1.120280
  C      -6.022123      0.978308      0.636411
  C      -6.185482      1.261422     -0.731773
  C      -7.452257      1.823778     -1.247396
  C      -7.458401      2.754635     -2.301496
  C      -8.655020      3.281653     -2.786670
  C      -9.874899      2.890041     -2.228855
  C      -9.885011      1.965733     -1.180950
  C      -8.687979      1.439054     -0.696558
  C      -5.106932      0.987404     -1.589309
  C      -3.920714      0.440279     -1.100630
  C      -7.304186     -2.594987      2.165447
  C      -6.479258     -2.969971      3.402329
  C      -7.392716     -3.281190      4.607768
  C      -6.616426     -3.408586      5.926229
  C      -7.326453     -4.191055      6.995549
  C      -7.582869     -5.561041      6.822891
  C      -8.238231     -6.304125      7.799729
  C      -8.664287     -5.709219      9.001827
  C      -9.387566     -6.491506     10.027890
  C      -9.126756     -7.860339     10.212419
  C      -9.805747     -8.597260     11.181008
  C     -10.766712     -7.984246     11.986917
  C     -11.043207     -6.626844     11.811636
  C     -10.362421     -5.889290     10.844067
  C      -8.386395     -4.344379      9.184346
  C      -7.734665     -3.602966      8.199586
  C      -1.178383     -4.917465      6.885376
  C      -2.675533     -4.644859      6.697837
  C      -3.546494     -5.033459      7.927258
  C      -3.066652     -6.203707      8.803319
  C      -4.051474     -6.517638      9.901942
  C      -4.305435     -5.594674     10.927893
  C      -5.228712     -5.868746     11.932998
  C      -5.929709     -7.087271     11.963079
  C      -6.893863     -7.385947     13.042307
  C      -6.998486     -8.679348     13.583584
  C      -7.901296     -8.956330     14.609576
  C      -8.722544     -7.945486     15.116275
  C      -8.633507     -6.657650     14.583495
  C      -7.729344     -6.381395     13.559301
  C      -5.673645     -8.011372     10.937513
  C      -4.759005     -7.726417      9.924375
  H       0.355912     -3.361304      1.880323
  H       0.046731     -1.820662      1.050144
  H      -0.412314     -3.344898      0.268264
  H      -1.603907     -2.077798      2.800447
  H      -3.748657     -2.144312      1.507736
  H      -2.844536     -2.535748      0.040872
  H      -1.679849     -0.358195      0.110895
  H      -2.254774     -0.067610      1.764377
  H      -4.731852      0.231421      2.189549
  H      -6.830507      1.210710      1.332492
  H      -6.509784      3.085643     -2.728372
  H      -8.634463      4.009848     -3.599769
  H     -10.811294      3.302923     -2.607733
  H     -10.832543      1.646351     -0.742802
  H      -8.708187      0.699062      0.105969
  H      -5.208166      1.181886     -2.658960
  H      -3.101505      0.224301     -1.791370
  H      -8.056961     -3.359295      1.920870
  H      -6.654072     -2.449038      1.291235
  H      -7.841026     -1.653075      2.350755
  H      -5.870036     -2.092223      3.667507
  H      -7.943263     -4.214851      4.405203
  H      -8.157127     -2.491690      4.693833
  H      -6.359505     -2.406571      6.303134
  H      -5.656814     -3.911559      5.706971
  H      -7.264456     -6.052234      5.898913
  H      -8.448862     -7.360188      7.621526
  H      -8.354240     -8.340493      9.610486
  H      -9.570537     -9.653927     11.320958
  H     -11.289241     -8.559053     12.752907
  H     -11.796255     -6.138702     12.433035
  H     -10.603710     -4.834520     10.700689
  H      -8.668764     -3.860568     10.121243
  H      -7.526552     -2.543703      8.370255
  H      -0.624972     -4.549570      6.009390
  H      -0.797257     -4.396064      7.776113
  H      -0.957115     -5.987386      7.006910
  H      -2.785940     -3.557318      6.585340
  H      -3.640852     -4.146151      8.573174
  H      -4.564904     -5.245097      7.566378
  H      -2.089095     -5.952429      9.245728
  H      -2.909362     -7.108917      8.198553
  H      -3.761724     -4.646858     10.946294
  H      -5.387047     -5.139622     12.730132
  H      -6.345879     -9.470559     13.209170
  H      -7.958516     -9.965694     15.021708
  H      -9.431090     -8.161645     15.917755
  H      -9.283975     -5.864886     14.957588
  H      -7.690122     -5.379292     13.128633
  H      -6.218308     -8.957202     10.921571
  H      -4.589537     -8.458625      9.130526
  N      -3.502904     -2.308038      4.515336
  N      -3.403119     -1.222648      4.885116
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637858992169
  N      -2.211827     -3.994254      2.398246
  C      -2.078940     -5.137542      1.495166
  C      -2.487537     -6.406514      2.229527
  N      -3.753763     -6.173116      2.970243
  C      -4.940365     -6.166404      2.073566
  C      -6.041138     -5.314748      2.687236
  N      -5.456497     -4.064495      3.172165
  Mo     -3.582623     -4.152227      3.834695
  N      -3.145534     -5.240175      5.437358
  C      -3.063162     -6.687534      5.282392
  C      -3.936429     -7.109344      4.109249
  H      -3.430181     -7.211238      6.182592
  H      -2.018010     -7.025848      5.131189
  H      -4.991450     -7.042296      4.409231
  H      -3.729662     -8.148186      3.794840
  H      -6.802357     -5.133296      1.908995
  H      -6.555877     -5.870674      3.497176
  H      -4.628710     -5.714903      1.121965
  H      -5.276511     -7.199598      1.874592
  H      -1.037065     -5.271480      1.154072
  H      -2.688110     -5.011729      0.575222
  H      -1.720453     -6.654103      2.976481
  H      -2.589433     -7.261707      1.536882
  C      -0.344629     -2.802983      1.188862
  C      -1.703778     -2.710211      1.885541
  C      -2.768758     -2.026279      1.007468
  C      -2.541817     -0.521712      0.783443
  C      -3.794155      0.137897      0.270284
  C      -4.850396      0.421474      1.150623
  C      -6.048835      0.956682      0.688533
  C      -6.241221      1.233275     -0.677225
  C      -7.521636      1.785899     -1.169051
  C      -7.555820      2.712472     -2.226282
  C      -8.765788      3.229760     -2.688341
  C      -9.971182      2.832258     -2.103813
  C      -9.953389      1.911957     -1.052516
  C      -8.743046      1.395115     -0.591126
  C      -5.178796      0.961732     -1.555192
  C      -3.979971      0.423052     -1.088223
  C      -7.229719     -2.599920      2.162099
  C      -6.410967     -2.969968      3.404576
  C      -7.333575     -3.270837      4.605638
  C      -6.566855     -3.398017      5.929477
  C      -7.291487     -4.171840      6.995301
  C      -7.562373     -5.538966      6.820987
  C      -8.235511     -6.273499      7.791943
  C      -8.666019     -5.672647      8.989659
  C      -9.412334     -6.444188     10.007175
  C      -9.175609     -7.817278     10.193296
  C      -9.877271     -8.544259     11.153052
  C     -10.837808     -7.916562     11.948401
  C     -11.090982     -6.554895     11.770893
  C     -10.387281     -5.827457     10.812142
  C      -8.372087     -4.311498      9.174699
  C      -7.702656     -3.578445      8.195587
  C      -1.142762     -4.958288      6.914185
  C      -2.635128     -4.680699      6.699727
  C      -3.529248     -5.064980      7.914333
  C      -3.071895     -6.238980      8.797251
  C      -4.068394     -6.538091      9.889378
  C      -4.315613     -5.610487     10.912737
  C      -5.247889     -5.871010     11.913314
  C      -5.964866     -7.080235     11.941168
  C      -6.937214     -7.364499     13.016933
  C      -7.060108     -8.654601     13.561857
  C      -7.970152     -8.916838     14.585403
  C      -8.780920     -7.894391     15.085611
  C      -8.674331     -6.609654     14.548396
  C      -7.762571     -6.348116     13.526962
  C      -5.715991     -8.008645     10.917757
  C      -4.792503     -7.737023      9.909092
  H       0.386265     -3.329459      1.820318
  H       0.044502     -1.793203      0.995078
  H      -0.408551     -3.323337      0.221203
  H      -1.572555     -2.071347      2.773435
  H      -3.738114     -2.156076      1.514943
  H      -2.855006     -2.540032      0.034463
  H      -1.709483     -0.352257      0.083456
  H      -2.256793     -0.066071      1.747006
  H      -4.724258      0.222192      2.218290
  H      -6.844273      1.188073      1.399672
  H      -6.618581      3.047942     -2.674329
  H      -8.766956      3.955019     -3.504316
  H     -10.917983      3.237468     -2.464684
  H     -10.889458      1.587873     -0.593670
  H      -8.741463      0.658275      0.214579
  H      -5.302321      1.151310     -2.623394
  H      -3.173555      0.208728     -1.794370
  H      -7.986628     -3.361050      1.920401
  H      -6.576701     -2.463203      1.288578
  H      -7.761359     -1.653425      2.339053
  H      -5.800801     -2.093002      3.668964
  H      -7.887079     -4.202890      4.403136
  H      -8.095240     -2.477823      4.683592
  H      -6.306628     -2.396347      6.305006
  H      -5.609409     -3.907289      5.717540
  H      -7.242364     -6.034031      5.899694
  H      -8.458529     -7.326719      7.612069
  H      -8.404634     -8.309163      9.598812
  H      -9.660922     -9.604687     11.294958
  H     -11.378339     -8.483970     12.707383
  H     -11.844244     -6.055534     12.383029
  H     -10.610723     -4.769163     10.665852
  H      -8.657790     -3.824082     10.108729
  H      -7.483108     -2.521638      8.367216
  H      -0.571881     -4.590072      6.049683
  H      -0.776287     -4.441319      7.813512
  H      -0.928867     -6.029679      7.036256
  H      -2.738844     -3.592572      6.584807
  H      -3.628746     -4.177676      8.559708
  H      -4.542737     -5.270157      7.536892
  H      -2.094789     -5.999404      9.246996
  H      -2.921964     -7.147124      8.194888
  H      -3.759259     -4.670068     10.933158
  H      -5.400468     -5.138276     12.708233
  H      -6.416643     -9.455575     13.192329
  H      -8.041020     -9.924067     15.000637
  H      -9.494944     -8.098971     15.885246
  H      -9.316929     -5.807759     14.916511
  H      -7.709606     -5.347930     13.093365
  H      -6.272883     -8.947400     10.900374
  H      -4.629330     -8.472321      9.116753
  N      -3.439441     -2.325658      4.520312
  N      -3.349057     -1.238013      4.886256
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.637917937133
  N      -2.158456     -3.992825      2.377853
  C      -2.028066     -5.132181      1.469669
  C      -2.429443     -6.405010      2.201491
  N      -3.689962     -6.176544      2.952941
  C      -4.885571     -6.162264      2.066805
  C      -5.980001     -5.314161      2.697679
  N      -5.391896     -4.064943      3.185286
  Mo     -3.513896     -4.161934      3.828523
  N      -3.091845     -5.263496      5.426611
  C      -2.986070     -6.706759      5.257566
  C      -3.862657     -7.124455      4.085035
  H      -3.339475     -7.245762      6.154001
  H      -1.937512     -7.029039      5.095291
  H      -4.916114     -7.064534      4.391850
  H      -3.653169     -8.159179      3.759407
  H      -6.750525     -5.128539      1.929992
  H      -6.484327     -5.876150      3.510033
  H      -4.582072     -5.704108      1.115752
  H      -5.224715     -7.193615      1.863494
  H      -0.988053     -5.261985      1.121284
  H      -2.643368     -5.005017      0.554029
  H      -1.656731     -6.654879      2.941810
  H      -2.534969     -7.256756      1.505063
  C      -0.323667     -2.779348      1.142713
  C      -1.673995     -2.702231      1.857752
  C      -2.759206     -2.030953      0.994014
  C      -2.550671     -0.524890      0.762461
  C      -3.818823      0.122184      0.272692
  C      -4.857377      0.404190      1.174267
  C      -6.068943      0.928892      0.735208
  C      -6.293109      1.195217     -0.627771
  C      -7.588136      1.735644     -1.094325
  C      -7.653480      2.654310     -2.156848
  C      -8.877654      3.159408     -2.594409
  C     -10.066265      2.757099     -1.979622
  C     -10.017463      1.844413     -0.922738
  C      -8.792980      1.339876     -0.485683
  C      -5.248683      0.925008     -1.527166
  C      -4.036208      0.397351     -1.083128
  C      -7.158068     -2.598810      2.162271
  C      -6.343331     -2.965358      3.408376
  C      -7.271704     -3.255915      4.607548
  C      -6.511534     -3.381305      5.936145
  C      -7.250811     -4.143334      7.000503
  C      -7.543699     -5.505813      6.823986
  C      -8.234649     -6.229078      7.790411
  C      -8.662527     -5.621295      8.985696
  C      -9.432286     -6.378849      9.995833
  C      -9.226395     -7.757142     10.181226
  C      -9.951334     -8.471019     11.133321
  C     -10.905377     -7.824375     11.921788
  C     -11.128456     -6.457405     11.744390
  C     -10.401204     -5.743432     10.793237
  C      -8.344940     -4.265885      9.173871
  C      -7.657437     -3.543791      8.199078
  C      -1.127803     -4.972450      6.950028
  C      -2.616412     -4.703599      6.702542
  C      -3.534130     -5.095528      7.897456
  C      -3.089618     -6.269186      8.787583
  C      -4.094580     -6.561318      9.873463
  C      -4.331593     -5.636705     10.901819
  C      -5.270417     -5.890272     11.898339
  C      -6.004006     -7.089608     11.916331
  C      -6.981561     -7.367097     12.989340
  C      -7.122371     -8.658233     13.526936
  C      -8.037247     -8.913861     14.547919
  C      -8.835383     -7.883763     15.052406
  C      -8.711276     -6.597622     14.521973
  C      -7.794266     -6.342635     13.503428
  C      -5.766097     -8.014577     10.887300
  C      -4.836417     -7.749467      9.882760
  H       0.423104     -3.293979      1.765198
  H       0.048959     -1.764996      0.940810
  H      -0.394033     -3.303352      0.177492
  H      -1.537282     -2.061863      2.743633
  H      -3.719997     -2.168597      1.515289
  H      -2.855104     -2.548726      0.024080
  H      -1.734013     -0.349457      0.045692
  H      -2.250853     -0.064323      1.719114
  H      -4.707111      0.211947      2.240040
  H      -6.849977      1.160307      1.462076
  H      -6.729436      2.993496     -2.628873
  H      -8.902941      3.879009     -3.414977
  H     -11.024130      3.152686     -2.321460
  H     -10.940264      1.516416     -0.440413
  H      -8.767207      0.608927      0.324987
  H      -5.396842      1.106317     -2.593664
  H      -3.244198      0.183469     -1.805529
  H      -7.918160     -3.357395      1.922713
  H      -6.503006     -2.468754      1.289209
  H      -7.685739     -1.649004      2.333174
  H      -5.731317     -2.089649      3.671339
  H      -7.828688     -4.186397      4.407028
  H      -8.030478     -2.459534      4.679550
  H      -6.245900     -2.379679      6.307892
  H      -5.557465     -3.899328      5.732153
  H      -7.228134     -6.005389      5.903662
  H      -8.475878     -7.277878      7.608296
  H      -8.461898     -8.264458      9.591185
  H      -9.759002     -9.536006     11.275501
  H     -11.464117     -8.381953     12.674818
  H     -11.877152     -5.943204     12.349862
  H     -10.601720     -4.680693     10.645986
  H      -8.628258     -3.774377     10.106500
  H      -7.420409     -2.491020      8.372213
  H      -0.538877     -4.593702      6.102432
  H      -0.785873     -4.461741      7.862388
  H      -0.911679     -6.044023      7.067227
  H      -2.723414     -3.615603      6.587818
  H      -3.650104     -4.210467      8.543489
  H      -4.539169     -5.304516      7.500671
  H      -2.115731     -6.031722      9.245195
  H      -2.938656     -7.178992      8.187772
  H      -3.761484     -4.704710     10.929614
  H      -5.414665     -5.159982     12.696995
  H      -6.489826     -9.466122     13.153596
  H      -8.121466     -9.922351     14.957573
  H      -9.552943     -8.083053     15.850179
  H      -9.344389     -5.789422     14.892641
  H      -7.727650     -5.340834     13.075549
  H      -6.336464     -8.945098     10.863038
  H      -4.682203     -8.481814      9.085880
  N      -3.376031     -2.336204      4.513819
  N      -3.295991     -1.246312      4.876068
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638005098842
  N      -2.101495     -3.992866      2.357663
  C      -1.977179     -5.128924      1.444839
  C      -2.371483     -6.404214      2.176169
  N      -3.624973     -6.177554      2.939193
  C      -4.829416     -6.153556      2.063812
  C      -5.915722     -5.306422      2.710489
  N      -5.322429     -4.058934      3.200306
  Mo     -3.440021     -4.167955      3.823876
  N      -3.033431     -5.281329      5.418449
  C      -2.907428     -6.720831      5.237057
  C      -3.788109     -7.135278      4.065652
  H      -3.249344     -7.272948      6.129749
  H      -1.856403     -7.029773      5.065278
  H      -4.839954     -7.081712      4.379105
  H      -3.576608     -8.166370      3.730141
  H      -6.694907     -5.116591      1.952963
  H      -6.411013     -5.873048      3.525305
  H      -4.532496     -5.689881      1.113345
  H      -5.174151     -7.182214      1.856313
  H      -0.940233     -5.255847      1.086376
  H      -2.600925     -4.999993      0.535317
  H      -1.592738     -6.655841      2.909531
  H      -2.482575     -7.253639      1.477804
  C      -0.304872     -2.759568      1.089179
  C      -1.644293     -2.696703      1.825526
  C      -2.751923     -2.041555      0.977078
  C      -2.562245     -0.535020      0.733276
  C      -3.846722      0.099365      0.270184
  C      -4.863120      0.384645      1.195465
  C      -6.088100      0.899240      0.782739
  C      -6.348541      1.150935     -0.576557
  C      -7.657956      1.680905     -1.014401
  C      -7.755750      2.588057     -2.084195
  C      -8.993590      3.082850     -2.494284
  C     -10.163471      2.681323     -1.844181
  C     -10.082362      1.779937     -0.779684
  C      -8.844297      1.285780     -0.369933
  C      -5.326661      0.876784     -1.500093
  C      -4.100278      0.359785     -1.082230
  C      -7.080491     -2.590017      2.165645
  C      -6.270193     -2.954092      3.415383
  C      -7.204977     -3.234031      4.611470
  C      -6.452357     -3.359048      5.944816
  C      -7.207325     -4.111066      7.005435
  C      -7.519940     -5.468850      6.825171
  C      -8.229837     -6.182149      7.784850
  C      -8.658323     -5.568977      8.977242
  C      -9.451530     -6.314098      9.978151
  C      -9.275301     -7.696936     10.161112
  C     -10.023654     -8.399476     11.103338
  C     -10.972450     -7.736198     11.884679
  C     -11.166409     -6.364475     11.709388
  C     -10.415657     -5.662306     10.767881
  C      -8.319552     -4.219385      9.170188
  C      -7.612970     -3.506821      8.201805
  C      -1.113796     -4.981851      6.992629
  C      -2.597926     -4.724279      6.709774
  C      -3.539504     -5.128326      7.882166
  C      -3.108670     -6.303788      8.776790
  C      -4.121282     -6.588268      9.857229
  C      -4.348516     -5.665948     10.889678
  C      -5.293924     -5.911858     11.882066
  C      -6.043601     -7.101204     11.891001
  C      -7.027633     -7.369905     12.960728
  C      -7.186848     -8.660883     13.492948
  C      -8.108129     -8.908033     14.510363
  C      -8.894544     -7.869626     15.015812
  C      -8.752244     -6.583251     14.490190
  C      -7.828472     -6.336591     13.475654
  C      -5.815940     -8.023850     10.857758
  C      -4.879970     -7.765756      9.857302
  H       0.458375     -3.262335      1.701188
  H       0.051325     -1.741249      0.878178
  H      -0.384037     -3.287861      0.127012
  H      -1.500260     -2.051762      2.706808
  H      -3.702402     -2.185789      1.515041
  H      -2.859221     -2.566083      0.012021
  H      -1.764232     -0.356379     -0.003430
  H      -2.243863     -0.066816      1.680153
  H      -4.684871      0.202939      2.258719
  H      -6.851244      1.134501      1.527094
  H      -6.846183      2.926621     -2.583959
  H      -9.044055      3.793915     -3.321094
  H     -11.131982      3.068779     -2.164671
  H     -10.990467      1.452416     -0.269937
  H      -8.793298      0.563538      0.447315
  H      -5.503568      1.045962     -2.564175
  H      -3.326290      0.142267     -1.822849
  H      -7.843018     -3.346372      1.926976
  H      -6.422665     -2.465527      1.293772
  H      -7.604948     -1.637488      2.330724
  H      -5.655627     -2.079915      3.676412
  H      -7.766457     -4.162123      4.412463
  H      -7.959464     -2.433045      4.677759
  H      -6.181094     -2.358324      6.314692
  H      -5.501964     -3.885877      5.747489
  H      -7.205951     -5.971984      5.906296
  H      -8.486507     -7.226611      7.598968
  H      -8.516326     -8.218261      9.576128
  H      -9.853957     -9.468449     11.244128
  H     -11.549598     -8.284922     12.630266
  H     -11.911399     -5.837341     12.308302
  H     -10.594317     -4.595530     10.621602
  H      -8.603131     -3.724441     10.100928
  H      -7.360539     -2.458215      8.378287
  H      -0.506211     -4.589092      6.164902
  H      -0.800695     -4.478672      7.919327
  H      -0.892358     -6.053125      7.103350
  H      -2.710345     -3.636351      6.598065
  H      -3.671215     -4.247594      8.531360
  H      -4.535694     -5.339230      7.465145
  H      -2.137654     -6.069554      9.242104
  H      -2.957609     -7.215259      8.179309
  H      -3.765267     -4.742291     10.923847
  H      -5.431058     -5.183751     12.683883
  H      -6.564228     -9.475726     13.118026
  H      -8.206312     -9.916783     14.916274
  H      -9.616819     -8.062368     15.810913
  H      -9.376683     -5.768379     14.860889
  H      -7.747351     -5.334350     13.051428
  H      -6.399427     -8.946042     10.826958
  H      -4.734071     -8.495408      9.056362
  N      -3.302198     -2.343266      4.508900
  N      -3.230142     -1.251496      4.867792
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638129515263
  N      -2.050702     -3.991393      2.338940
  C      -1.930975     -5.126218      1.423504
  C      -2.318727     -6.402542      2.156727
  N      -3.566981     -6.178031      2.929064
  C      -4.780193     -6.149668      2.064362
  C      -5.861292     -5.304692      2.724079
  N      -5.266848     -4.055568      3.212333
  Mo     -3.380004     -4.168296      3.813679
  N      -2.988008     -5.284882      5.410765
  C      -2.834546     -6.720473      5.221967
  C      -3.717482     -7.141233      4.053746
  H      -3.161764     -7.284431      6.112497
  H      -1.779842     -7.011337      5.041620
  H      -4.768008     -7.096689      4.373019
  H      -3.499977     -8.169515      3.713521
  H      -6.649973     -5.115885      1.976536
  H      -6.345430     -5.875357      3.542939
  H      -4.490410     -5.682178      1.113534
  H      -5.128297     -7.176825      1.854963
  H      -0.896856     -5.250268      1.056022
  H      -2.562562     -4.997602      0.519634
  H      -1.534780     -6.651987      2.885259
  H      -2.433064     -7.252149      1.459262
  C      -0.290005     -2.741625      1.040631
  C      -1.620747     -2.690732      1.793382
  C      -2.747219     -2.053879      0.954908
  C      -2.571245     -0.549094      0.691631
  C      -3.868311      0.075988      0.251500
  C      -4.860399      0.376741      1.197723
  C      -6.095064      0.886061      0.808292
  C      -6.389897      1.115876     -0.547826
  C      -7.709244      1.642091     -0.960318
  C      -7.832736      2.530953     -2.042638
  C      -9.079793      3.022014     -2.428633
  C     -10.233076      2.634824     -1.741413
  C     -10.126364      1.751671     -0.664067
  C      -8.879173      1.261300     -0.278215
  C      -5.392864      0.824973     -1.492914
  C      -4.156253      0.314006     -1.098112
  C      -7.023307     -2.589689      2.173159
  C      -6.213405     -2.948160      3.424825
  C      -7.150148     -3.218629      4.620904
  C      -6.401217     -3.338545      5.958164
  C      -7.167912     -4.080868      7.017438
  C      -7.497526     -5.434600      6.835362
  C      -8.222534     -6.138422      7.790246
  C      -8.650481     -5.519805      8.980068
  C      -9.462363     -6.253201      9.974283
  C      -9.312540     -7.639608     10.154955
  C     -10.079771     -8.331446     11.089771
  C     -11.022113     -7.653176     11.866504
  C     -11.190155     -6.277710     11.693294
  C     -10.420390     -5.586820     10.759023
  C      -8.293503     -4.175317      9.175737
  C      -7.571576     -3.471694      8.211766
  C      -1.123340     -4.959484      7.040158
  C      -2.604182     -4.729804      6.719126
  C      -3.565711     -5.159192      7.866110
  C      -3.136317     -6.331852      8.765412
  C      -4.151854     -6.616138      9.842670
  C      -4.371008     -5.699389     10.881583
  C      -5.319297     -5.944001     11.871714
  C      -6.079314     -7.126652     11.870779
  C      -7.066270     -7.392713     12.939129
  C      -7.236973     -8.685211     13.463319
  C      -8.161567     -8.930145     14.478399
  C      -8.939816     -7.888174     14.988512
  C      -8.785977     -6.599864     14.470453
  C      -7.858577     -6.355197     13.458711
  C      -5.860330     -8.043871     10.831120
  C      -4.921749     -7.786327      9.832964
  H       0.486813     -3.232033      1.645413
  H       0.051073     -1.720163      0.820522
  H      -0.374914     -3.275704      0.082209
  H      -1.472184     -2.038516      2.668402
  H      -3.688446     -2.199463      1.508416
  H      -2.864545     -2.589716     -0.002684
  H      -1.791281     -0.374510     -0.065122
  H      -2.233083     -0.069465      1.625844
  H      -4.655315      0.211508      2.258753
  H      -6.838449      1.134953      1.567952
  H      -6.935720      2.858516     -2.571522
  H      -9.150156      3.719133     -3.265782
  H     -11.208753      3.019289     -2.043231
  H     -11.021573      1.435163     -0.125395
  H      -8.808321      0.553192      0.549798
  H      -5.597678      0.975693     -2.554711
  H      -3.402082      0.083151     -1.854955
  H      -7.784780     -3.347617      1.936428
  H      -6.364452     -2.467600      1.301643
  H      -7.549053     -1.637192      2.333254
  H      -5.597777     -2.073634      3.681237
  H      -7.714438     -4.145921      4.426662
  H      -7.901861     -2.414661      4.682955
  H      -6.125942     -2.337484      6.323740
  H      -5.453890     -3.872782      5.766913
  H      -7.185883     -5.941406      5.917779
  H      -8.491898     -7.179220      7.601803
  H      -8.560278     -8.174123      9.573224
  H      -9.929793     -9.403493     11.229108
  H     -11.614047     -8.193308     12.606714
  H     -11.930504     -5.738821     12.287542
  H     -10.580063     -4.516826     10.614168
  H      -8.576489     -3.676437     10.104553
  H      -7.306040     -2.426757      8.390542
  H      -0.500576     -4.542839      6.235823
  H      -0.848013     -4.463799      7.982692
  H      -0.883657     -6.027885      7.141658
  H      -2.734848     -3.643300      6.612289
  H      -3.722937     -4.285352      8.519207
  H      -4.550153     -5.382388      7.428548
  H      -2.170229     -6.090167      9.237162
  H      -2.976784     -7.244460      8.171660
  H      -3.778763     -4.781680     10.922204
  H      -5.451236     -5.220719     12.678639
  H      -6.621236     -9.503038     13.083593
  H      -8.268438     -9.940299     14.878605
  H      -9.664288     -8.079333     15.781971
  H      -9.404707     -5.782063     14.844178
  H      -7.767919     -5.351528     13.039977
  H      -6.452883     -8.960039     10.793474
  H      -4.782466     -8.510667      9.026020
  N      -3.244130     -2.343542      4.495054
  N      -3.182350     -1.249694      4.850215
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638315568432
  N      -2.006464     -3.987321      2.327115
  C      -1.890756     -5.123062      1.411258
  C      -2.274326     -6.398282      2.148456
  N      -3.519780     -6.174166      2.926080
  C      -4.738982     -6.143534      2.068703
  C      -5.817546     -5.299633      2.735223
  N      -5.225014     -4.046966      3.219920
  Mo     -3.334726     -4.159159      3.803397
  N      -2.958125     -5.272046      5.408188
  C      -2.777307     -6.704600      5.217670
  C      -3.658654     -7.138385      4.052184
  H      -3.092596     -7.276990      6.106745
  H      -1.718721     -6.977934      5.033568
  H      -4.708776     -7.103962      4.373925
  H      -3.432091     -8.164839      3.712108
  H      -6.613613     -5.116100      1.994489
  H      -6.292640     -5.872374      3.558194
  H      -4.452766     -5.674328      1.117589
  H      -5.090185     -7.169443      1.858066
  H      -0.859226     -5.245437      1.036271
  H      -2.528956     -4.995532      0.512353
  H      -1.487360     -6.642658      2.875474
  H      -2.389810     -7.250675      1.454927
  C      -0.279853     -2.725839      1.000567
  C      -1.604759     -2.683845      1.764496
  C      -2.746282     -2.068760      0.929646
  C      -2.578477     -0.568363      0.638870
  C      -3.883794      0.051573      0.216416
  C      -4.850336      0.380808      1.178992
  C      -6.090727      0.889790      0.807844
  C      -6.416832      1.089682     -0.545778
  C      -7.741406      1.618838     -0.938604
  C      -7.882615      2.481562     -2.039721
  C      -9.133988      2.975724     -2.407412
  C     -10.273541      2.617904     -1.682629
  C     -10.149179      1.761019     -0.586239
  C      -8.897793      1.267471     -0.218555
  C      -5.445971      0.768240     -1.508021
  C      -4.203180      0.258504     -1.131239
  C      -6.984806     -2.588778      2.181085
  C      -6.173218     -2.940136      3.433904
  C      -7.109979     -3.203878      4.630345
  C      -6.363483     -3.317481      5.970895
  C      -7.137863     -4.053536      7.029420
  C      -7.486592     -5.402162      6.843451
  C      -8.221697     -6.098877      7.795531
  C      -8.641820     -5.478478      8.987149
  C      -9.465664     -6.202685      9.978116
  C      -9.342476     -7.592915     10.151141
  C     -10.122533     -8.275896     11.081884
  C     -11.051768     -7.584410     11.863072
  C     -11.193295     -6.204903     11.697860
  C     -10.410831     -5.523495     10.767407
  C      -8.265205     -4.140014      9.187236
  C      -7.532870     -3.442922      8.225786
  C      -1.158755     -4.903493      7.093826
  C      -2.637639     -4.721763      6.734976
  C      -3.611253     -5.194291      7.853871
  C      -3.169926     -6.361310      8.754943
  C      -4.181944     -6.651430      9.833603
  C      -4.390450     -5.743117     10.881831
  C      -5.336263     -5.990793     11.873538
  C      -6.104393     -7.167925     11.863175
  C      -7.090425     -7.434713     12.933157
  C      -7.272172     -8.731126     13.443103
  C      -8.197421     -8.978147     14.457224
  C      -8.964568     -7.934491     14.979744
  C      -8.798851     -6.641718     14.476095
  C      -7.870893     -6.394711     13.465522
  C      -5.897004     -8.077146     10.814518
  C      -4.960094     -7.816181      9.815377
  H       0.506767     -3.204618      1.601854
  H       0.048868     -1.702326      0.771882
  H      -0.367521     -3.266711      0.046277
  H      -1.455131     -2.020339      2.630700
  H      -3.679579     -2.210103      1.497345
  H      -2.871607     -2.620728     -0.017636
  H      -1.814971     -0.405678     -0.137117
  H      -2.220178     -0.073474      1.557553
  H      -4.620740      0.237885      2.238238
  H      -6.813480      1.162262      1.579147
  H      -6.995505      2.786689     -2.597848
  H      -9.218065      3.652547     -3.259807
  H     -11.252554      3.004782     -1.970286
  H     -11.033927      1.467259     -0.018201
  H      -8.813379      0.579641      0.625037
  H      -5.677077      0.893493     -2.567661
  H      -3.469912      0.003772     -1.900860
  H      -7.741270     -3.351900      1.945342
  H      -6.325343     -2.465019      1.310146
  H      -7.516838     -1.639265      2.337073
  H      -5.558254     -2.063479      3.684112
  H      -7.676309     -4.130705      4.441225
  H      -7.859003     -2.397153      4.689658
  H      -6.085900     -2.315936      6.332755
  H      -5.417912     -3.856586      5.783663
  H      -7.182889     -5.910247      5.924024
  H      -8.504123     -7.135407      7.602622
  H      -8.602115     -8.140155      9.566248
  H      -9.991911     -9.351199     11.214918
  H     -11.653459     -8.117024     12.600837
  H     -11.923499     -5.655405     12.295075
  H     -10.551481     -4.449881     10.629571
  H      -8.541845     -3.639280     10.116957
  H      -7.253106     -2.402561      8.409219
  H      -0.528656     -4.450096      6.315651
  H      -0.929531     -4.416712      8.053270
  H      -0.883927     -5.964786      7.182237
  H      -2.803480     -3.639066      6.636882
  H      -3.802583     -4.332337      8.513844
  H      -4.581254     -5.438751      7.396008
  H      -2.209433     -6.103719      9.229869
  H      -2.996072     -7.274312      8.165764
  H      -3.791079     -4.830207     10.927784
  H      -5.461505     -5.275174     12.688202
  H      -6.664808     -9.549932     13.052259
  H      -8.313177     -9.991491     14.846822
  H      -9.689082     -8.127573     15.772706
  H      -9.409584     -5.822373     14.859445
  H      -7.770448     -5.387931     13.056777
  H      -6.497411     -8.987893     10.770262
  H      -4.828787     -8.533003      9.000407
  N      -3.200366     -2.334002      4.480302
  N      -3.150011     -1.238551      4.832826
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638563566440
  N      -1.979053     -3.985158      2.333323
  C      -1.871091     -5.124987      1.420282
  C      -2.266868     -6.393673      2.161188
  N      -3.515670     -6.159225      2.931726
  C      -4.731189     -6.122832      2.070650
  C      -5.808892     -5.270960      2.728288
  N      -5.215311     -4.016917      3.206936
  Mo     -3.326675     -4.131923      3.793597
  N      -2.967071     -5.232478      5.411651
  C      -2.783917     -6.667432      5.229929
  C      -3.658548     -7.114006      4.064320
  H      -3.103707     -7.236271      6.119257
  H      -1.724201     -6.940580      5.053556
  H      -4.710493     -7.079861      4.379862
  H      -3.427864     -8.142978      3.734073
  H      -6.603144     -5.093498      1.984012
  H      -6.287717     -5.837718      3.553610
  H      -4.436459     -5.657897      1.119957
  H      -5.089967     -7.146182      1.859442
  H      -0.840847     -5.255060      1.044854
  H      -2.509043     -4.993570      0.522347
  H      -1.485461     -6.636316      2.894890
  H      -2.383225     -7.250853      1.474183
  C      -0.263051     -2.726913      0.994017
  C      -1.590513     -2.683827      1.754838
  C      -2.734703     -2.086379      0.912026
  C      -2.569214     -0.590577      0.599597
  C      -3.878018      0.027008      0.184771
  C      -4.829861      0.377863      1.153946
  C      -6.073592      0.884572      0.790373
  C      -6.417085      1.060585     -0.562109
  C      -7.743791      1.591053     -0.947594
  C      -7.892444      2.431933     -2.064705
  C      -9.144581      2.928423     -2.426603
  C     -10.277160      2.595403     -1.679617
  C     -10.145442      1.760664     -0.567166
  C      -8.893439      1.264421     -0.205436
  C      -5.461125      0.715882     -1.531648
  C      -4.215305      0.208331     -1.162311
  C      -6.971002     -2.553091      2.177624
  C      -6.161686     -2.910264      3.430733
  C      -7.098504     -3.174046      4.625517
  C      -6.353485     -3.291270      5.967236
  C      -7.129794     -4.027251      7.025004
  C      -7.498746     -5.369647      6.833159
  C      -8.232532     -6.064452      7.787936
  C      -8.632331     -5.448556      8.988496
  C      -9.453556     -6.170127      9.983881
  C      -9.349897     -7.563678     10.143080
  C     -10.129755     -8.243460     11.076676
  C     -11.038542     -7.545624     11.875720
  C     -11.159225     -6.162305     11.726222
  C     -10.377755     -5.484356     10.792488
  C      -8.236937     -4.116317      9.193791
  C      -7.504908     -3.421111      8.230157
  C      -1.220330     -4.814998      7.133363
  C      -2.700515     -4.692193      6.753411
  C      -3.667391     -5.218930      7.851551
  C      -3.200019     -6.382594      8.744158
  C      -4.200560     -6.685534      9.830080
  C      -4.393500     -5.790389     10.892444
  C      -5.330690     -6.046147     11.889744
  C      -6.106795     -7.217745     11.869255
  C      -7.087606     -7.491522     12.943142
  C      -7.282343     -8.796359     13.426220
  C      -8.205532     -9.053456     14.439739
  C      -8.955702     -8.011336     14.988621
  C      -8.774713     -6.709709     14.513635
  C      -7.850140     -6.452534     13.502873
  C      -5.915626     -8.114567     10.807284
  C      -4.985131     -7.845929      9.803590
  H       0.521245     -3.203669      1.599860
  H       0.066287     -1.704134      0.763276
  H      -0.347955     -3.271226      0.041487
  H      -1.446121     -2.007907      2.612328
  H      -3.665864     -2.222066      1.484633
  H      -2.859121     -2.651675     -0.027370
  H      -1.814289     -0.438448     -0.186888
  H      -2.199652     -0.084138      1.507627
  H      -4.586688      0.252044      2.212509
  H      -6.784959      1.173378      1.566295
  H      -7.009896      2.718556     -2.639509
  H      -9.234440      3.587911     -3.291920
  H     -11.256740      2.984320     -1.962681
  H     -11.025012      1.486295      0.018361
  H      -8.803659      0.593246      0.650778
  H      -5.707744      0.820730     -2.589950
  H      -3.494354     -0.064596     -1.937327
  H      -7.722671     -3.318566      1.934432
  H      -6.307760     -2.422142      1.310406
  H      -7.508641     -1.607149      2.335725
  H      -5.543678     -2.034861      3.679212
  H      -7.670080     -4.096971      4.435589
  H      -7.841168     -2.361633      4.687652
  H      -6.072201     -2.291582      6.330701
  H      -5.408971     -3.833386      5.778704
  H      -7.211703     -5.875267      5.907090
  H      -8.527067     -7.096531      7.589078
  H      -8.625332     -8.119041      9.546613
  H     -10.012680     -9.321724     11.197294
  H     -11.639171     -8.074884     12.616776
  H     -11.871833     -5.606966     12.339374
  H     -10.503704     -4.407121     10.669333
  H      -8.496874     -3.617440     10.129286
  H      -7.210943     -2.385953      8.420491
  H      -0.598801     -4.320327      6.373907
  H      -1.029301     -4.336546      8.105649
  H      -0.899468     -5.864615      7.207095
  H      -2.914190     -3.616638      6.668118
  H      -3.888636     -4.374122      8.524180
  H      -4.626516     -5.484574      7.382237
  H      -2.242453     -6.107777      9.215575
  H      -3.012160     -7.293402      8.156243
  H      -3.787772     -4.881863     10.943959
  H      -5.445076     -5.343256     12.716923
  H      -6.685954     -9.612675     13.014076
  H      -8.332868    -10.073270     14.808376
  H      -9.678401     -8.212618     15.781268
  H      -9.372218     -5.891199     14.919116
  H      -7.738215     -5.439332     13.113536
  H      -6.523992     -9.019368     10.755262
  H      -4.864025     -8.552128      8.977853
  N      -3.181498     -2.308661      4.471333
  N      -3.131775     -1.214407      4.827592
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638800284732
  N      -1.965739     -3.997069      2.321670
  C      -1.868998     -5.139844      1.413048
  C      -2.258688     -6.403124      2.163498
  N      -3.500138     -6.162506      2.941725
  C      -4.718476     -6.127032      2.088175
  C      -5.788931     -5.268306      2.744886
  N      -5.192840     -4.011194      3.209605
  Mo     -3.300570     -4.126932      3.795526
  N      -2.937421     -5.217648      5.417395
  C      -2.756494     -6.654509      5.239662
  C      -3.634875     -7.109470      4.079967
  H      -3.073428     -7.218592      6.132586
  H      -1.697211     -6.927613      5.061310
  H      -4.685430     -7.078311      4.400659
  H      -3.401079     -8.139017      3.753665
  H      -6.586912     -5.098540      2.002371
  H      -6.264058     -5.826921      3.578043
  H      -4.428417     -5.668617      1.132824
  H      -5.082665     -7.150269      1.884820
  H      -0.842954     -5.272344      1.027364
  H      -2.516740     -5.008416      0.522308
  H      -1.472153     -6.643264      2.892703
  H      -2.381003     -7.264416      1.482696
  C      -0.268195     -2.744977      0.957781
  C      -1.589230     -2.697478      1.730176
  C      -2.740213     -2.104224      0.895314
  C      -2.567531     -0.612092      0.567288
  C      -3.877248      0.014396      0.168946
  C      -4.804687      0.392063      1.151274
  C      -6.051264      0.904251      0.804997
  C      -6.422022      1.059200     -0.542587
  C      -7.753004      1.591765     -0.909763
  C      -7.918398      2.415965     -2.037168
  C      -9.174192      2.914928     -2.382547
  C     -10.293963      2.601570     -1.608148
  C     -10.145586      1.783649     -0.485247
  C      -8.889919      1.284763     -0.140343
  C      -5.489102      0.689359     -1.525914
  C      -4.240617      0.176626     -1.174017
  C      -6.949186     -2.556307      2.166376
  C      -6.144904     -2.909308      3.424404
  C      -7.087463     -3.174591      4.611823
  C      -6.349641     -3.288074      5.954580
  C      -7.128969     -4.023848      7.010523
  C      -7.483544     -5.371011      6.828232
  C      -8.218482     -6.064330      7.783901
  C      -8.633712     -5.441825      8.975524
  C      -9.455154     -6.163733      9.971231
  C      -9.340596     -7.554890     10.139051
  C     -10.121791     -8.235963     11.070773
  C     -11.041472     -7.542224     11.859598
  C     -11.171478     -6.160595     11.703447
  C     -10.389625     -5.480745     10.770988
  C      -8.253701     -4.103763      9.171214
  C      -7.520746     -3.410516      8.206973
  C      -1.227057     -4.775937      7.167040
  C      -2.703750     -4.679428      6.765060
  C      -3.675497     -5.226617      7.847085
  C      -3.204951     -6.389645      8.739692
  C      -4.207901     -6.689873      9.824906
  C      -4.408418     -5.787997     10.880408
  C      -5.346973     -6.040977     11.876372
  C      -6.117620     -7.216485     11.862535
  C      -7.101547     -7.489347     12.933342
  C      -7.291529     -8.793123     13.422310
  C      -8.218793     -9.050086     14.432106
  C      -8.976487     -8.008483     14.972152
  C      -8.799080     -6.708476     14.492541
  C      -7.871875     -6.451571     13.484637
  C      -5.917958     -8.120260     10.807943
  C      -4.985241     -7.854909      9.805313
  H       0.517381     -3.227169      1.557634
  H       0.064900     -1.723577      0.726342
  H      -0.363453     -3.287566      0.005249
  H      -1.437971     -2.015675      2.581991
  H      -3.664726     -2.229565      1.481079
  H      -2.879090     -2.676834     -0.037452
  H      -1.823752     -0.472969     -0.232032
  H      -2.179214     -0.100927      1.464901
  H      -4.540124      0.281776      2.206456
  H      -6.744021      1.211500      1.590659
  H      -7.045407      2.687486     -2.633462
  H      -9.277048      3.560716     -3.256713
  H     -11.276381      2.992716     -1.877988
  H     -11.015146      1.525010      0.121981
  H      -8.788037      0.625944      0.724066
  H      -5.756975      0.779208     -2.580434
  H      -3.538125     -0.115306     -1.958977
  H      -7.695313     -3.326264      1.919511
  H      -6.282329     -2.421843      1.302807
  H      -7.493026     -1.613348      2.321106
  H      -5.529686     -2.030986      3.671556
  H      -7.654920     -4.099506      4.420151
  H      -7.832075     -2.363466      4.667982
  H      -6.074869     -2.286648      6.318389
  H      -5.401675     -3.824209      5.769085
  H      -7.182459     -5.883170      5.910127
  H      -8.499592     -7.101425      7.591972
  H      -8.604959     -8.107470      9.553771
  H      -9.995948     -9.312652     11.196710
  H     -11.643560     -8.072153     12.599081
  H     -11.890397     -5.608234     12.311812
  H     -10.522577     -4.404894     10.643679
  H      -8.524686     -3.597971     10.099801
  H      -7.239939     -2.370516      8.390807
  H      -0.604539     -4.268481      6.417046
  H      -1.059068     -4.295045      8.142660
  H      -0.887714     -5.819292      7.244897
  H      -2.937578     -3.607975      6.679644
  H      -3.915626     -4.388734      8.521526
  H      -4.625863     -5.498951      7.363329
  H      -2.247140     -6.114662      9.210447
  H      -3.016224     -7.303050      8.156551
  H      -3.807470     -4.876053     10.927531
  H      -5.466563     -5.334501     12.699869
  H      -6.686776     -9.607307     13.018387
  H      -8.343924    -10.068544     14.805156
  H      -9.702991     -8.209748     15.761368
  H      -9.401681     -5.890993     14.892648
  H      -7.763774     -5.440190     13.089418
  H      -6.521150     -9.028473     10.759947
  H      -4.855473     -8.567650      8.986612
  N      -3.151671     -2.303172      4.474908
  N      -3.101789     -1.208864      4.830486
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.638958339410
  N      -1.985474     -4.015706      2.326455
  C      -1.889969     -5.166284      1.427801
  C      -2.302646     -6.418828      2.182421
  N      -3.551505     -6.161886      2.944748
  C      -4.759425     -6.129691      2.080617
  C      -5.829831     -5.256069      2.716813
  N      -5.229105     -3.998074      3.168399
  Mo     -3.342734     -4.115128      3.782250
  N      -2.977857     -5.187982      5.413326
  C      -2.829298     -6.632083      5.251383
  C      -3.704519     -7.090665      4.092725
  H      -3.160958     -7.176164      6.150941
  H      -1.773531     -6.925105      5.083766
  H      -4.757025     -7.045860      4.406027
  H      -3.477303     -8.126866      3.782918
  H      -6.618428     -5.091470      1.962554
  H      -6.317904     -5.798883      3.552776
  H      -4.460677     -5.685306      1.121387
  H      -5.127988     -7.153602      1.887638
  H      -0.860230     -5.312768      1.056945
  H      -2.525036     -5.031913      0.528258
  H      -1.526594     -6.663027      2.921580
  H      -2.425693     -7.284445      1.506907
  C      -0.250907     -2.787539      0.985319
  C      -1.581221     -2.721959      1.741033
  C      -2.713883     -2.112500      0.895262
  C      -2.525142     -0.619367      0.578449
  C      -3.831281      0.018083      0.185003
  C      -4.754680      0.395859      1.171431
  C      -6.003505      0.906660      0.830604
  C      -6.380664      1.061703     -0.515014
  C      -7.716592      1.584580     -0.876187
  C      -7.892304      2.413569     -1.998814
  C      -9.153257      2.902896     -2.338998
  C     -10.268733      2.575066     -1.564035
  C     -10.110145      1.752228     -0.445948
  C      -8.849136      1.263046     -0.106587
  C      -5.449487      0.696489     -1.502391
  C      -4.199582      0.183949     -1.156426
  C      -6.970556     -2.525116      2.126377
  C      -6.178458     -2.895689      3.387323
  C      -7.126500     -3.169449      4.569500
  C      -6.389622     -3.297213      5.910640
  C      -7.161969     -4.040392      6.966324
  C      -7.509448     -5.388745      6.784273
  C      -8.232511     -6.088241      7.745323
  C      -8.641431     -5.470508      8.941274
  C      -9.446153     -6.202590      9.943993
  C      -9.310904     -7.591613     10.110898
  C     -10.076667     -8.282110     11.048916
  C     -10.998987     -7.600862     11.844431
  C     -11.147496     -6.220764     11.690719
  C     -10.381813     -5.530528     10.752116
  C      -8.271276     -4.129347      9.135205
  C      -7.550441     -3.430863      8.166240
  C      -1.250315     -4.727697      7.140178
  C      -2.733186     -4.644035      6.756733
  C      -3.687029     -5.195321      7.851438
  C      -3.196554     -6.351843      8.742491
  C      -4.192566     -6.659205      9.833063
  C      -4.400157     -5.752117     10.883163
  C      -5.333849     -6.006446     11.882456
  C      -6.094131     -7.188982     11.879863
  C      -7.077190     -7.464709     12.949364
  C      -7.260404     -8.769084     13.441527
  C      -8.186604     -9.029923     14.450994
  C      -8.949448     -7.990947     14.990028
  C      -8.778145     -6.691003     14.509064
  C      -7.852796     -6.430639     13.500450
  C      -5.885257     -8.098675     10.831320
  C      -4.956627     -7.832936      9.824596
  H       0.517230     -3.286161      1.594324
  H       0.103127     -1.771280      0.762073
  H      -0.343304     -3.325035      0.029602
  H      -1.433343     -2.043459      2.596449
  H      -3.645414     -2.230883      1.471410
  H      -2.850165     -2.678592     -0.041875
  H      -1.778428     -0.479626     -0.217955
  H      -2.135181     -0.118604      1.481239
  H      -4.485629      0.284942      2.225533
  H      -6.694074      1.210073      1.619811
  H      -7.023265      2.696209     -2.595785
  H      -9.264105      3.551875     -3.209833
  H     -11.255240      2.958804     -1.829504
  H     -10.975949      1.482788      0.161958
  H      -8.740070      0.599666      0.753553
  H      -5.720540      0.789782     -2.555880
  H      -3.499155     -0.105135     -1.944279
  H      -7.717668     -3.289541      1.865114
  H      -6.296482     -2.383280      1.269829
  H      -7.511645     -1.581757      2.288785
  H      -5.559080     -2.022362      3.645239
  H      -7.696363     -4.090559      4.366463
  H      -7.868950     -2.356690      4.629749
  H      -6.115446     -2.297842      6.281651
  H      -5.439628     -3.827886      5.721051
  H      -7.210577     -5.898907      5.864107
  H      -8.508591     -7.126767      7.554215
  H      -8.569071     -8.133077      9.523235
  H      -9.936118     -9.357352     11.172595
  H     -11.589867     -8.138605     12.587420
  H     -11.867127     -5.677563     12.306263
  H     -10.528053     -4.456220     10.627015
  H      -8.536568     -3.626429     10.066998
  H      -7.276625     -2.388703      8.348788
  H      -0.643838     -4.219158      6.377849
  H      -1.070217     -4.239346      8.110110
  H      -0.901682     -5.767676      7.219645
  H      -2.978364     -3.575475      6.669225
  H      -3.930902     -4.356594      8.523001
  H      -4.640144     -5.476311      7.376759
  H      -2.236071     -6.070983      9.203584
  H      -3.006503     -7.265582      8.160401
  H      -3.809420     -4.833168     10.922550
  H      -5.457565     -5.295321     12.701568
  H      -6.649191     -9.580310     13.041492
  H      -8.307686    -10.048418     14.825132
  H      -9.676092     -8.194790     15.778497
  H      -9.382582     -5.875689     14.910981
  H      -7.750606     -5.418969     13.104088
  H      -6.478624     -9.013778     10.790938
  H      -4.819344     -8.552014      9.012735
  N      -3.183266     -2.293398      4.469449
  N      -3.121543     -1.203001      4.833730
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639039366533
  N      -1.925319     -4.035190      2.288246
  C      -1.832706     -5.190650      1.397274
  C      -2.241748     -6.436987      2.162422
  N      -3.484347     -6.173766      2.932195
  C      -4.698245     -6.143822      2.076283
  C      -5.761779     -5.264114      2.716017
  N      -5.157692     -4.002900      3.157193
  Mo     -3.267921     -4.124491      3.760515
  N      -2.917490     -5.189136      5.398795
  C      -2.753342     -6.632289      5.238419
  C      -3.628983     -7.100391      4.083176
  H      -3.075661     -7.176319      6.140997
  H      -1.695004     -6.913854      5.067801
  H      -4.680406     -7.061773      4.400987
  H      -3.395695     -8.135540      3.774630
  H      -6.555730     -5.102964      1.966520
  H      -6.243765     -5.801376      3.558984
  H      -4.406917     -5.705591      1.111902
  H      -5.070213     -7.168244      1.892502
  H      -0.803902     -5.339616      1.024404
  H      -2.470825     -5.061552      0.498953
  H      -1.460546     -6.679902      2.896639
  H      -2.371210     -7.306041      1.492294
  C      -0.224332     -2.802406      0.910350
  C      -1.540343     -2.740855      1.690723
  C      -2.692381     -2.140148      0.865559
  C      -2.515351     -0.647925      0.534619
  C      -3.837945     -0.013646      0.194000
  C      -4.710275      0.384403      1.218413
  C      -5.975665      0.887168      0.931045
  C      -6.421868      1.012892     -0.396274
  C      -7.778065      1.519738     -0.698324
  C      -8.018444      2.328097     -1.823998
  C      -9.299565      2.801056     -2.107307
  C     -10.371213      2.477017     -1.271034
  C     -10.148174      1.674305     -0.149254
  C      -8.866947      1.201647      0.133141
  C      -5.540595      0.630507     -1.422237
  C      -4.273657      0.126477     -1.130162
  C      -6.888293     -2.532532      2.090060
  C      -6.108068     -2.898522      3.359687
  C      -7.067897     -3.164478      4.534325
  C      -6.343113     -3.290900      5.881403
  C      -7.129490     -4.025128      6.933164
  C      -7.486235     -5.370916      6.751780
  C      -8.225821     -6.060653      7.707425
  C      -8.642242     -5.435108      8.896693
  C      -9.467495     -6.157058      9.890305
  C      -9.346634     -7.546619     10.062463
  C     -10.132880     -8.227699     10.990417
  C     -11.061194     -7.536227     11.769787
  C     -11.195388     -6.155210     11.610509
  C     -10.409190     -5.474017     10.682106
  C      -8.261970     -4.096760      9.090882
  C      -7.524877     -3.408359      8.127203
  C      -1.251756     -4.697462      7.173411
  C      -2.724402     -4.639401      6.748176
  C      -3.699674     -5.203607      7.817694
  C      -3.212170     -6.343843      8.731113
  C      -4.220126     -6.643472      9.813077
  C      -4.438333     -5.726173     10.852312
  C      -5.381019     -5.970638     11.845386
  C      -6.141321     -7.153308     11.848014
  C      -7.134057     -7.419976     12.909921
  C      -7.325125     -8.720433     13.410302
  C      -8.260438     -8.971994     14.413588
  C      -9.025034     -7.927158     14.939389
  C      -8.846273     -6.631330     14.450480
  C      -7.911749     -6.380512     13.447789
  C      -5.921819     -8.072435     10.809400
  C      -4.983790     -7.817231      9.808728
  H       0.558398     -3.291745      1.508188
  H       0.118231     -1.785322      0.673287
  H      -0.331700     -3.347408     -0.039540
  H      -1.380375     -2.058782      2.541302
  H      -3.610812     -2.255954      1.462706
  H      -2.849605     -2.713765     -0.063710
  H      -1.801820     -0.511511     -0.292163
  H      -2.089313     -0.143114      1.418583
  H      -4.388040      0.294830      2.259528
  H      -6.626037      1.205868      1.747969
  H      -7.183779      2.607531     -2.469713
  H      -9.460740      3.434155     -2.981987
  H     -11.373463      2.848011     -1.491930
  H     -10.979396      1.407910      0.506418
  H      -8.708054      0.553764      0.997433
  H      -5.864263      0.703798     -2.462469
  H      -3.612845     -0.176730     -1.946451
  H      -7.635666     -3.295848      1.825936
  H      -6.207692     -2.394647      1.238212
  H      -7.427625     -1.586811      2.245011
  H      -5.488930     -2.025347      3.619257
  H      -7.637889     -4.085169      4.328538
  H      -7.810058     -2.350795      4.584119
  H      -6.069368     -2.290580      6.250907
  H      -5.393114     -3.823634      5.702226
  H      -7.182280     -5.887172      5.836725
  H      -8.511145     -7.096720      7.516789
  H      -8.599654     -8.094948      9.487685
  H     -10.004280     -9.303950     11.118792
  H     -11.669105     -8.067285     12.503869
  H     -11.920061     -5.604011     12.212844
  H     -10.543453     -4.398893     10.550909
  H      -8.532505     -3.588727     10.018462
  H      -7.244038     -2.367738      8.308192
  H      -0.634586     -4.175505      6.428949
  H      -1.105104     -4.209536      8.149198
  H      -0.888342     -5.731976      7.258630
  H      -2.984538     -3.575434      6.649809
  H      -3.983063     -4.365816      8.474769
  H      -4.632746     -5.506682      7.317268
  H      -2.258890     -6.051678      9.199293
  H      -3.010896     -7.264112      8.163012
  H      -3.848301     -4.806599     10.888456
  H      -5.511192     -5.250868     12.656034
  H      -6.712680     -9.536564     13.022174
  H      -8.387564     -9.987603     14.793490
  H      -9.759238     -8.123365     15.722786
  H      -9.451097     -5.811430     14.842401
  H      -7.804375     -5.371439     13.046024
  H      -6.513803     -8.988752     10.772598
  H      -4.838751     -8.545194      9.006156
  N      -3.111999     -2.300994      4.445532
  N      -3.057962     -1.209169      4.806805
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639090583334
  N      -1.941497     -4.050453      2.271837
  C      -1.841867     -5.213941      1.392855
  C      -2.241205     -6.454278      2.173222
  N      -3.483023     -6.191437      2.944000
  C      -4.701288     -6.184796      2.092982
  C      -5.770623     -5.307288      2.728057
  N      -5.176330     -4.035122      3.152407
  Mo     -3.282780     -4.131798      3.747338
  N      -2.921173     -5.170959      5.397995
  C      -2.737691     -6.613371      5.252698
  C      -3.613995     -7.105123      4.107475
  H      -3.045865     -7.149930      6.164601
  H      -1.676432     -6.881496      5.078328
  H      -4.664223     -7.072840      4.429809
  H      -3.371504     -8.142029      3.812192
  H      -6.570043     -5.160401      1.981223
  H      -6.242857     -5.839797      3.579266
  H      -4.419829     -5.756146      1.121288
  H      -5.063699     -7.215193      1.924685
  H      -0.811756     -5.360972      1.022417
  H      -2.480678     -5.099306      0.492765
  H      -1.455654     -6.684271      2.906786
  H      -2.367271     -7.331304      1.512847
  C      -0.237499     -2.831990      0.887682
  C      -1.551560     -2.759654      1.669708
  C      -2.699908     -2.154073      0.842284
  C      -2.503423     -0.667019      0.495013
  C      -3.819240     -0.013983      0.163923
  C      -4.662119      0.428175      1.195069
  C      -5.921423      0.952310      0.919729
  C      -6.391758      1.054139     -0.401333
  C      -7.743048      1.580971     -0.688924
  C      -7.991273      2.367370     -1.828161
  C      -9.268799      2.858348     -2.096563
  C     -10.329038      2.574525     -1.231496
  C     -10.098018      1.793830     -0.095918
  C      -8.820281      1.303276      0.171618
  C      -5.539658      0.627795     -1.434251
  C      -4.277906      0.104083     -1.154540
  C      -6.923418     -2.592478      2.077209
  C      -6.137418     -2.938188      3.348576
  C      -7.094099     -3.203981      4.527235
  C      -6.365808     -3.317625      5.874644
  C      -7.144382     -4.054142      6.930402
  C      -7.482196     -5.405982      6.757281
  C      -8.215074     -6.098766      7.715854
  C      -8.642607     -5.470239      8.899891
  C      -9.461962     -6.196151      9.895295
  C      -9.319411     -7.581991     10.080430
  C     -10.099621     -8.267613     11.009989
  C     -11.044737     -7.584385     11.776656
  C     -11.202041     -6.207564     11.602487
  C     -10.420652     -5.521662     10.673554
  C      -8.280525     -4.125762      9.085927
  C      -7.550950     -3.434374      8.118963
  C      -1.271975     -4.637495      7.176421
  C      -2.742747     -4.603865      6.742511
  C      -3.718292     -5.172030      7.810835
  C      -3.215727     -6.288380      8.744876
  C      -4.226022     -6.597603      9.821684
  C      -4.474443     -5.673343     10.847939
  C      -5.417743     -5.929428     11.837895
  C      -6.147974     -7.131091     11.850627
  C      -7.137248     -7.411333     12.911660
  C      -7.295410     -8.708912     13.430579
  C      -8.225417     -8.970559     14.436124
  C      -9.018930     -7.939063     14.945693
  C      -8.874858     -6.646652     14.436758
  C      -7.944738     -6.385911     13.432190
  C      -5.898996     -8.055637     10.823338
  C      -4.961528     -7.789027      9.825675
  H       0.545745     -3.317330      1.488048
  H       0.106411     -1.817993      0.639662
  H      -0.348992     -3.386069     -0.056467
  H      -1.386778     -2.075204      2.517473
  H      -3.618215     -2.252507      1.442519
  H      -2.867660     -2.735631     -0.080251
  H      -1.798143     -0.551581     -0.342014
  H      -2.058086     -0.160360      1.368120
  H      -4.320733      0.358238      2.231459
  H      -6.547594      1.306711      1.740869
  H      -7.165247      2.615264     -2.497593
  H      -9.435990      3.474141     -2.982376
  H     -11.328454      2.959525     -1.440833
  H     -10.920431      1.558591      0.582373
  H      -8.655680      0.673544      1.048285
  H      -5.881725      0.683940     -2.469702
  H      -3.639484     -0.232054     -1.975732
  H      -7.660503     -3.367822      1.819170
  H      -6.246216     -2.450654      1.223668
  H      -7.475015     -1.653108      2.227186
  H      -5.527463     -2.057313      3.602772
  H      -7.656170     -4.131186      4.327437
  H      -7.844677     -2.398043      4.572347
  H      -6.101217     -2.312913      6.239230
  H      -5.411379     -3.842552      5.697582
  H      -7.169309     -5.924465      5.846562
  H      -8.488175     -7.139320      7.531995
  H      -8.560126     -8.122099      9.513742
  H      -9.954393     -9.340381     11.149538
  H     -11.649022     -8.119159     12.510986
  H     -11.941884     -5.663443     12.192564
  H     -10.572300     -4.450502     10.529320
  H      -8.560583     -3.615597     10.009534
  H      -7.283620     -2.388944      8.292597
  H      -0.658699     -4.113608      6.430058
  H      -1.135344     -4.139624      8.148420
  H      -0.896053     -5.666759      7.271076
  H      -3.015329     -3.544631      6.630901
  H      -4.027896     -4.331231      8.452148
  H      -4.639656     -5.502533      7.306544
  H      -2.272376     -5.970582      9.215712
  H      -2.991863     -7.210866      8.188523
  H      -3.907238     -4.739362     10.877543
  H      -5.570378     -5.202672     12.638308
  H      -6.661678     -9.514978     13.055609
  H      -8.325735     -9.983524     14.830755
  H      -9.748928     -8.143048     15.730964
  H      -9.502622     -5.837613     14.814775
  H      -7.863968     -5.379895     13.016791
  H      -6.466612     -8.987691     10.794051
  H      -4.794588     -8.522365      9.032302
  N      -3.143641     -2.301577      4.416822
  N      -3.098848     -1.206578      4.771222
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639195964401
  N      -1.935119     -4.058911      2.276676
  C      -1.838743     -5.225023      1.401590
  C      -2.248009     -6.460970      2.184292
  N      -3.491181     -6.186882      2.948670
  C      -4.704961     -6.173876      2.090301
  C      -5.771903     -5.288199      2.717680
  N      -5.169307     -4.021443      3.145862
  Mo     -3.279031     -4.129172      3.750077
  N      -2.921627     -5.169048      5.400627
  C      -2.757569     -6.613902      5.261287
  C      -3.636151     -7.096727      4.114164
  H      -3.076834     -7.143132      6.173964
  H      -1.699504     -6.897032      5.092174
  H      -4.687193     -7.051785      4.431926
  H      -3.404674     -8.137219      3.822364
  H      -6.565100     -5.133527      1.965821
  H      -6.254741     -5.817067      3.565101
  H      -4.414046     -5.749163      1.119703
  H      -5.072788     -7.202155      1.921711
  H      -0.808157     -5.379403      1.035437
  H      -2.473173     -5.110974      0.498249
  H      -1.466803     -6.694240      2.921291
  H      -2.377891     -7.338803      1.525819
  C      -0.229583     -2.849129      0.883849
  C      -1.540531     -2.772213      1.670209
  C      -2.691268     -2.168347      0.844068
  C      -2.501527     -0.680093      0.498728
  C      -3.821859     -0.031339      0.178030
  C      -4.657291      0.410493      1.215570
  C      -5.920528      0.930057      0.949790
  C      -6.402430      1.027221     -0.367636
  C      -7.756867      1.551470     -0.645355
  C      -8.016514      2.333025     -1.785237
  C      -9.297204      2.820874     -2.043973
  C     -10.349223      2.538457     -1.168577
  C     -10.106866      1.762556     -0.032176
  C      -8.825971      1.275164      0.225868
  C      -5.558664      0.599766     -1.406605
  C      -4.292936      0.080498     -1.136483
  C      -6.902779     -2.566028      2.066715
  C      -6.121940     -2.916662      3.339371
  C      -7.084202     -3.177544      4.515202
  C      -6.360119     -3.304920      5.863800
  C      -7.142469     -4.046061      6.913139
  C      -7.487748     -5.394674      6.728481
  C      -8.221197     -6.092488      7.682840
  C      -8.642754     -5.472280      8.873469
  C      -9.462459     -6.202285      9.865187
  C      -9.319431     -7.588873     10.045558
  C     -10.098778     -8.278043     10.973119
  C     -11.044247     -7.597396     11.742136
  C     -11.202616     -6.220225     11.571887
  C     -10.421682     -5.531017     10.645232
  C      -8.273959     -4.131221      9.070479
  C      -7.543210     -3.434782      8.108009
  C      -1.247070     -4.655382      7.163138
  C      -2.720153     -4.598365      6.740824
  C      -3.698297     -5.147436      7.817031
  C      -3.205621     -6.266141      8.752566
  C      -4.220077     -6.573963      9.825397
  C      -4.475842     -5.649459     10.849501
  C      -5.423134     -5.907828     11.835505
  C      -6.150625     -7.111199     11.845185
  C      -7.143684     -7.392196     12.902606
  C      -7.306047     -8.689976     13.418992
  C      -8.240820     -8.951481     14.420079
  C      -9.035811     -7.919979     14.927138
  C      -8.887944     -6.627087     14.420162
  C      -7.952602     -6.366521     13.420292
  C      -5.895008     -8.035366     10.819484
  C      -4.953290     -7.766896      9.826634
  H       0.557666     -3.328021      1.484155
  H       0.111315     -1.836642      0.625740
  H      -0.344517     -3.411129     -0.055159
  H      -1.372040     -2.085541      2.515329
  H      -3.609168     -2.270801      1.444114
  H      -2.857903     -2.749735     -0.078840
  H      -1.802242     -0.560919     -0.342891
  H      -2.051733     -0.174200      1.369891
  H      -4.306874      0.344236      2.249228
  H      -6.540125      1.285909      1.775255
  H      -7.196978      2.579795     -2.463033
  H      -9.473247      3.433341     -2.930367
  H     -11.351151      2.920794     -1.370632
  H     -10.922918      1.528075      0.653999
  H      -8.652298      0.649505      1.103649
  H      -5.910367      0.651147     -2.439024
  H      -3.661268     -0.257371     -1.962180
  H      -7.643156     -3.337143      1.805994
  H      -6.222430     -2.427077      1.215039
  H      -7.449695     -1.623789      2.216027
  H      -5.507445     -2.040311      3.596750
  H      -7.655344     -4.098081      4.310027
  H      -7.826855     -2.364514      4.561560
  H      -6.089145     -2.304977      6.236469
  H      -5.408135     -3.835110      5.683636
  H      -7.180699     -5.906322      5.812013
  H      -8.500060     -7.130126      7.490967
  H      -8.560933     -8.126519      9.475286
  H      -9.952736     -9.351023     11.109888
  H     -11.647078     -8.134489     12.475862
  H     -11.942965     -5.678546     12.163642
  H     -10.573636     -4.459478     10.503793
  H      -8.550392     -3.628201      9.999071
  H      -7.269161     -2.392573      8.290155
  H      -0.630446     -4.145759      6.409685
  H      -1.094721     -4.155023      8.131416
  H      -0.887772     -5.690405      7.260150
  H      -2.974624     -3.534913      6.627718
  H      -3.993335     -4.299647      8.456073
  H      -4.626021     -5.468414      7.318716
  H      -2.262260     -5.953030      9.226783
  H      -2.983671     -7.188540      8.195064
  H      -3.911390     -4.713957     10.881359
  H      -5.581895     -5.180334     12.633928
  H      -6.673296     -9.497134     13.044626
  H      -8.343783     -9.964823     14.813106
  H      -9.769206     -8.124052     15.709172
  H      -9.517417     -5.817874     14.794850
  H      -7.869035     -5.360146     13.006548
  H      -6.460766     -8.968370     10.786750
  H      -4.782826     -8.499330      9.033201
  N      -3.128265     -2.300046      4.415177
  N      -3.073916     -1.205195      4.768957
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639308323980
  N      -1.899796     -4.084811      2.268377
  C      -1.809608     -5.262400      1.408502
  C      -2.242472     -6.483609      2.202859
  N      -3.488980     -6.182715      2.952600
  C      -4.695099     -6.166271      2.082738
  C      -5.758295     -5.261991      2.690101
  N      -5.144267     -3.999485      3.114149
  Mo     -3.259056     -4.118981      3.729412
  N      -2.919127     -5.141847      5.393137
  C      -2.777436     -6.591092      5.274445
  C      -3.656040     -7.075442      4.128731
  H      -3.110454     -7.102749      6.192257
  H      -1.722958     -6.892482      5.115847
  H      -4.708725     -7.010631      4.437222
  H      -3.438307     -8.123319      3.852815
  H      -6.541442     -5.102778      1.928917
  H      -6.257671     -5.778008      3.535814
  H      -4.389102     -5.756600      1.110411
  H      -5.072468     -7.192294      1.922363
  H      -0.777715     -5.434651      1.054022
  H      -2.433772     -5.153514      0.497474
  H      -1.470631     -6.718668      2.948908
  H      -2.380106     -7.367713      1.554586
  C      -0.199068     -2.896499      0.846973
  C      -1.501583     -2.807427      1.645566
  C      -2.659188     -2.209567      0.824167
  C      -2.479238     -0.721904      0.470941
  C      -3.810177     -0.075964      0.192345
  C      -4.602081      0.387463      1.254534
  C      -5.877017      0.898344      1.031043
  C      -6.414538      0.964666     -0.266763
  C      -7.781227      1.479533     -0.498992
  C      -8.091967      2.233652     -1.644381
  C      -9.384467      2.711328     -1.859657
  C     -10.397460      2.445640     -0.934576
  C     -10.104236      1.697019      0.208024
  C      -8.811579      1.219860      0.422807
  C      -5.614669      0.515181     -1.330639
  C      -4.337188      0.004337     -1.102968
  C      -6.855529     -2.524340      2.028731
  C      -6.085377     -2.883593      3.305042
  C      -7.057076     -3.136412      4.475747
  C      -6.341054     -3.282829      5.827684
  C      -7.131107     -4.027955      6.868094
  C      -7.485760     -5.372434      6.670236
  C      -8.221293     -6.075253      7.619117
  C      -8.637609     -5.463799      8.815980
  C      -9.460709     -6.197336      9.801660
  C      -9.315003     -7.583889      9.981729
  C     -10.097735     -8.275635     10.904476
  C     -11.049769     -7.597414     11.668136
  C     -11.210784     -6.220630     11.497664
  C     -10.426100     -5.529053     10.576249
  C      -8.260668     -4.127006      9.025743
  C      -7.525990     -3.425910      8.069556
  C      -1.246199     -4.622975      7.154364
  C      -2.718404     -4.562807      6.730344
  C      -3.701680     -5.105692      7.805282
  C      -3.207833     -6.207948      8.758603
  C      -4.230075     -6.519414      9.822300
  C      -4.507234     -5.592966     10.838814
  C      -5.460956     -5.858297     11.817130
  C      -6.174811     -7.069800     11.825038
  C      -7.173740     -7.356840     12.875550
  C      -7.334596     -8.655880     13.388583
  C      -8.275841     -8.923049     14.381930
  C      -9.079764     -7.896412     14.884301
  C      -8.933392     -6.601850     14.380643
  C      -7.991270     -6.335675     13.388563
  C      -5.899474     -7.994974     10.805673
  C      -4.950623     -7.720254      9.821489
  H       0.597467     -3.360241      1.446873
  H       0.134698     -1.888410      0.563609
  H      -0.323962     -3.478214     -0.078522
  H      -1.323095     -2.112335      2.481781
  H      -3.572316     -2.312457      1.431164
  H      -2.831476     -2.796826     -0.093975
  H      -1.806596     -0.603870     -0.392404
  H      -2.002376     -0.215186      1.326918
  H      -4.208975      0.343134      2.273920
  H      -6.461985      1.271432      1.873951
  H      -7.303033      2.467547     -2.361863
  H      -9.600226      3.302975     -2.751385
  H     -11.408656      2.819733     -1.103057
  H     -10.889780      1.475139      0.932878
  H      -8.598359      0.615468      1.306696
  H      -6.010842      0.541024     -2.347734
  H      -3.741099     -0.353032     -1.946711
  H      -7.596428     -3.291492      1.758899
  H      -6.168028     -2.383639      1.182917
  H      -7.400170     -1.580805      2.177911
  H      -5.464109     -2.013947      3.567873
  H      -7.642526     -4.045945      4.262288
  H      -7.786728     -2.311903      4.523400
  H      -6.061492     -2.289300      6.210658
  H      -5.393227     -3.820975      5.646673
  H      -7.184311     -5.876978      5.748048
  H      -8.506776     -7.109561      7.418705
  H      -8.552815     -8.118720      9.413559
  H      -9.949532     -9.348105     11.042428
  H     -11.654148     -8.136085     12.399319
  H     -11.955929     -5.681126     12.085510
  H     -10.578934     -4.457683     10.433985
  H      -8.534701     -3.631785      9.959213
  H      -7.243697     -2.387677      8.261275
  H      -0.627228     -4.119847      6.398566
  H      -1.092645     -4.117749      8.119874
  H      -0.890548     -5.658807      7.256798
  H      -2.968391     -3.499136      6.611154
  H      -4.009386     -4.252363      8.431005
  H      -4.622353     -5.441418      7.303818
  H      -2.274163     -5.878053      9.240797
  H      -2.967141     -7.132302      8.211958
  H      -3.953978     -4.650897     10.871942
  H      -5.635851     -5.128552     12.609913
  H      -6.696748     -9.460393     13.017229
  H      -8.376761     -9.937501     14.772648
  H      -9.817840     -8.105077     15.660654
  H      -9.570268     -5.796138     14.750241
  H      -7.909572     -5.328234     12.977356
  H      -6.455477     -8.933636     10.769825
  H      -4.765838     -8.453567      9.032132
  N      -3.089612     -2.288734      4.380657
  N      -3.023123     -1.193841      4.732777
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639359481932
  N      -1.864333     -4.116831      2.253259
  C      -1.770861     -5.308907      1.415037
  C      -2.218286     -6.513919      2.226618
  N      -3.469452     -6.191637      2.959768
  C      -4.666944     -6.183777      2.077548
  C      -5.731692     -5.265216      2.659831
  N      -5.115459     -4.000769      3.074991
  Mo     -3.235084     -4.118457      3.704959
  N      -2.910970     -5.115776      5.385891
  C      -2.780353     -6.568010      5.293194
  C      -3.653699     -7.064045      4.148781
  H      -3.124728     -7.060998      6.217005
  H      -1.727170     -6.880081      5.148108
  H      -4.708491     -6.985890      4.446604
  H      -3.442105     -8.118047      3.891925
  H      -6.504945     -5.110438      1.887886
  H      -6.244704     -5.767575      3.505571
  H      -4.348446     -5.791744      1.102070
  H      -5.047279     -7.210571      1.930084
  H      -0.736122     -5.492821      1.074753
  H      -2.384377     -5.214397      0.495204
  H      -1.454276     -6.741534      2.982822
  H      -2.357034     -7.408014      1.592514
  C      -0.178521     -2.950614      0.793651
  C      -1.468869     -2.848915      1.609786
  C      -2.636457     -2.257554      0.797280
  C      -2.461424     -0.773119      0.426875
  C      -3.799966     -0.122491      0.201888
  C      -4.526884      0.383391      1.290879
  C      -5.810152      0.894795      1.123258
  C      -6.421896      0.917546     -0.142750
  C      -7.797969      1.431300     -0.314293
  C      -8.172593      2.144567     -1.466552
  C      -9.474118      2.620307     -1.623915
  C     -10.432481      2.393303     -0.632817
  C     -10.075522      1.685470      0.517596
  C      -8.773871      1.210265      0.674536
  C      -5.687131      0.425362     -1.234227
  C      -4.400618     -0.084831     -1.062862
  C      -6.812262     -2.527299      1.964443
  C      -6.055178     -2.880621      3.249911
  C      -7.039533     -3.125345      4.412569
  C      -6.335708     -3.277169      5.770534
  C      -7.131575     -4.025788      6.803820
  C      -7.486070     -5.369365      6.599076
  C      -8.222341     -6.076704      7.543913
  C      -8.640609     -5.470426      8.742600
  C      -9.464923     -6.208171      9.723781
  C      -9.309416     -7.593139      9.908801
  C     -10.093784     -8.288358     10.827480
  C     -11.057286     -7.615086     11.581475
  C     -11.227783     -6.240172     11.405897
  C     -10.441341     -5.545138     10.488726
  C      -8.264944     -4.134385      8.959011
  C      -7.528466     -3.429047      8.007309
  C      -1.249717     -4.570602      7.148295
  C      -2.719912     -4.518501      6.716884
  C      -3.708567     -5.053537      7.791143
  C      -3.210436     -6.130995      8.769672
  C      -4.241886     -6.445160      9.823118
  C      -4.547297     -5.512295     10.825346
  C      -5.507971     -5.783271     11.795492
  C      -6.202095     -7.006105     11.808156
  C      -7.207919     -7.297758     12.850867
  C      -7.361536     -8.595514     13.368940
  C      -8.309768     -8.866773     14.354399
  C      -9.128717     -7.845872     14.843751
  C      -8.989582     -6.552351     14.335091
  C      -8.040198     -6.282128     13.351030
  C      -5.900012     -7.936939     10.801722
  C      -4.943339     -7.657414      9.826569
  H       0.630460     -3.396836      1.390110
  H       0.144961     -1.947672      0.481609
  H      -0.316525     -3.554027     -0.115815
  H      -1.277130     -2.143956      2.434890
  H      -3.541444     -2.353798      1.417205
  H      -2.822205     -2.854865     -0.111706
  H      -1.824953     -0.665111     -0.464785
  H      -1.945791     -0.263994      1.258403
  H      -4.076424      0.370748      2.286963
  H      -6.343605      1.301093      1.984740
  H      -7.426279      2.348268     -2.236861
  H      -9.739625      3.180262     -2.522631
  H     -11.450754      2.765707     -0.756247
  H     -10.818342      1.493595      1.294175
  H      -8.511211      0.637999      1.566455
  H      -6.141945      0.416853     -2.226747
  H      -3.856380     -0.476641     -1.926115
  H      -7.546934     -3.297828      1.687938
  H      -6.115895     -2.384880      1.126106
  H      -7.362175     -1.585611      2.105078
  H      -5.435221     -2.010904      3.514984
  H      -7.630833     -4.029770      4.193743
  H      -7.762784     -2.294938      4.453286
  H      -6.057077     -2.285504      6.158874
  H      -5.387404     -3.816463      5.594587
  H      -7.183727     -5.869950      5.675060
  H      -8.507213     -7.110521      7.339885
  H      -8.539118     -8.122704      9.346591
  H      -9.938446     -9.359130     10.970402
  H     -11.662420     -8.156251     12.310111
  H     -11.981708     -5.704932     11.986415
  H     -10.600208     -4.475277     10.341562
  H      -8.542109     -3.644010      9.894089
  H      -7.245540     -2.391878      8.203598
  H      -0.628818     -4.075252      6.389039
  H      -1.101082     -4.053424      8.108150
  H      -0.892510     -5.604498      7.264075
  H      -2.970829     -3.456814      6.583509
  H      -4.035838     -4.193013      8.396686
  H      -4.618396     -5.412101      7.285892
  H      -2.289660     -5.777344      9.259850
  H      -2.945299     -7.058821      8.240186
  H      -4.010315     -4.560788     10.854828
  H      -5.703971     -5.047443     12.577495
  H      -6.713376     -9.396383     13.007796
  H      -8.404329     -9.880255     14.749177
  H      -9.871975     -8.057843     15.614186
  H      -9.638129     -5.750960     14.693539
  H      -7.964781     -5.275795     12.936168
  H      -6.441090     -8.884317     10.767815
  H      -4.738146     -8.395791      9.047094
  N      -3.062954     -2.281362      4.332934
  N      -2.994794     -1.183566      4.675759
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639430914902
  N      -1.876065     -4.125202      2.253886
  C      -1.783821     -5.320519      1.420378
  C      -2.228149     -6.523000      2.237228
  N      -3.476508     -6.198029      2.973424
  C      -4.676336     -6.195426      2.094535
  C      -5.740677     -5.276249      2.675430
  N      -5.126291     -4.009466      3.086824
  Mo     -3.242899     -4.120936      3.710589
  N      -2.911496     -5.113675      5.392958
  C      -2.777363     -6.565824      5.304492
  C      -3.656098     -7.066483      4.166127
  H      -3.114745     -7.057779      6.231390
  H      -1.724306     -6.875739      5.153587
  H      -4.709485     -6.985601      4.468316
  H      -3.446921     -8.121370      3.911214
  H      -6.515272     -5.124602      1.904373
  H      -6.251898     -5.777078      3.523167
  H      -4.360499     -5.807361      1.116611
  H      -5.055800     -7.223353      1.952721
  H      -0.749968     -5.504795      1.077765
  H      -2.400012     -5.230324      0.501906
  H      -1.461671     -6.748141      2.991657
  H      -2.369187     -7.418839      1.606178
  C      -0.200287     -2.966708      0.778096
  C      -1.485284     -2.859324      1.601922
  C      -2.655251     -2.267627      0.792681
  C      -2.473111     -0.785755      0.414402
  C      -3.806588     -0.125847      0.186116
  C      -4.522692      0.406491      1.269556
  C      -5.799075      0.934152      1.098288
  C      -6.414217      0.947378     -0.166098
  C      -7.780785      1.484539     -0.343560
  C      -8.144816      2.179375     -1.510416
  C      -9.436749      2.678495     -1.674453
  C     -10.395827      2.494317     -0.675300
  C     -10.049216      1.805923      0.490062
  C      -8.757230      1.307110      0.653495
  C      -5.691557      0.424823     -1.251649
  C      -4.411867     -0.101045     -1.076748
  C      -6.828467     -2.542184      1.974758
  C      -6.070569     -2.893147      3.260633
  C      -7.054302     -3.140880      4.422818
  C      -6.350030     -3.291415      5.780436
  C      -7.142794     -4.046947      6.811268
  C      -7.476438     -5.396124      6.608031
  C      -8.209144     -6.111441      7.549493
  C      -8.644395     -5.507809      8.743427
  C      -9.462780     -6.254998      9.722536
  C      -9.287176     -7.636884      9.912795
  C     -10.065385     -8.340933     10.829896
  C     -11.042710     -7.680035     11.576981
  C     -11.233189     -6.308532     11.396390
  C     -10.453006     -5.604529     10.480655
  C      -8.290292     -4.165625      8.958181
  C      -7.557335     -3.452180      8.009727
  C      -1.245551     -4.563726      7.148783
  C      -2.717053     -4.511593      6.721470
  C      -3.703107     -5.043493      7.800032
  C      -3.197906     -6.107783      8.789616
  C      -4.231805     -6.424476      9.839859
  C      -4.552855     -5.487314     10.833037
  C      -5.514812     -5.761765     11.800883
  C      -6.194795     -6.992298     11.819920
  C      -7.201935     -7.287103     12.860761
  C      -7.341695     -8.582128     13.389276
  C      -8.290198     -8.856223     14.373858
  C      -9.122861     -7.841049     14.851604
  C      -8.997343     -6.550287     14.332453
  C      -8.047886     -6.277117     13.349411
  C      -5.877619     -7.927680     10.822436
  C      -4.919121     -7.644895      9.849810
  H       0.613364     -3.407640      1.372116
  H       0.119863     -1.965869      0.456063
  H      -0.344224     -3.577221     -0.125668
  H      -1.287057     -2.150961      2.422695
  H      -3.557920     -2.357681      1.416873
  H      -2.847017     -2.868417     -0.112755
  H      -1.836870     -0.687154     -0.478459
  H      -1.952949     -0.275014      1.242100
  H      -4.068705      0.403334      2.264054
  H      -6.323448      1.361396      1.955183
  H      -7.397331      2.349868     -2.287503
  H      -9.693831      3.223222     -2.584897
  H     -11.406535      2.885150     -0.803817
  H     -10.792636      1.648075      1.273701
  H      -8.503030      0.751381      1.558089
  H      -6.150072      0.407193     -2.242328
  H      -3.876331     -0.513578     -1.935774
  H      -7.558497     -3.316541      1.696725
  H      -6.132243     -2.395285      1.137015
  H      -7.384133     -1.604013      2.115260
  H      -5.453696     -2.021078      3.525542
  H      -7.644022     -4.046317      4.204309
  H      -7.778675     -2.311388      4.464064
  H      -6.076452     -2.299333      6.171103
  H      -5.400112     -3.826853      5.603304
  H      -7.159153     -5.894470      5.687789
  H      -8.476567     -7.150281      7.347388
  H      -8.506068     -8.156294      9.356156
  H      -9.894962     -9.408824     10.977171
  H     -11.643105     -8.228271     12.304285
  H     -11.997770     -5.783081     11.971821
  H     -10.627054     -4.537594     10.329548
  H      -8.581505     -3.677265      9.889981
  H      -7.291077     -2.410359      8.204723
  H      -0.625926     -4.074930      6.384244
  H      -1.093482     -4.039926      8.104479
  H      -0.889753     -5.597324      7.270808
  H      -2.966861     -3.449946      6.585077
  H      -4.039270     -4.180000      8.396129
  H      -4.608269     -5.415913      7.296561
  H      -2.283835     -5.740125      9.282260
  H      -2.919048     -7.036500      8.268821
  H      -4.027095     -4.529407     10.857457
  H      -5.722697     -5.022149     12.576212
  H      -6.682455     -9.378146     13.037664
  H      -8.373893     -9.867373     14.776980
  H      -9.866171     -8.055281     15.621375
  H      -9.656544     -5.753561     14.681790
  H      -7.982624     -5.273399     12.926550
  H      -6.407949     -8.881284     10.793728
  H      -4.700993     -8.387267      9.077687
  N      -3.072010     -2.280038      4.328949
  N      -3.004471     -1.180975      4.667693
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639482692310
  N      -1.877556     -4.137114      2.247915
  C      -1.789782     -5.336048      1.419062
  C      -2.239269     -6.534342      2.239469
  N      -3.486052     -6.202301      2.975039
  C      -4.685148     -6.199383      2.095979
  C      -5.748022     -5.276196      2.672708
  N      -5.132268     -4.010175      3.083637
  Mo     -3.247549     -4.121704      3.702231
  N      -2.918177     -5.107715      5.389253
  C      -2.786338     -6.560515      5.306656
  C      -3.667725     -7.064672      4.171492
  H      -3.122842     -7.049264      6.235731
  H      -1.734014     -6.872940      5.154821
  H      -4.720310     -6.977374      4.474694
  H      -3.463519     -8.121289      3.920155
  H      -6.520143     -5.124298      1.899004
  H      -6.263102     -5.773964      3.519963
  H      -4.367898     -5.815081      1.116878
  H      -5.067164     -7.226900      1.957307
  H      -0.756568     -5.525241      1.077292
  H      -2.405344     -5.246576      0.499958
  H      -1.473684     -6.760646      2.994572
  H      -2.383848     -7.431104      1.610619
  C      -0.201496     -2.990353      0.762676
  C      -1.482561     -2.874227      1.591664
  C      -2.651299     -2.275913      0.786013
  C      -2.466143     -0.792553      0.415513
  C      -3.798812     -0.129219      0.191671
  C      -4.511043      0.404102      1.276910
  C      -5.787612      0.933020      1.109565
  C      -6.406346      0.947254     -0.152696
  C      -7.772493      1.486908     -0.326786
  C      -8.138271      2.177447     -1.495843
  C      -9.428879      2.680703     -1.657926
  C     -10.384982      2.505371     -0.654372
  C     -10.036573      1.821770      0.513393
  C      -8.745974      1.318746      0.674675
  C      -5.687625      0.422911     -1.240369
  C      -4.408124     -0.104428     -1.069408
  C      -6.834615     -2.539837      1.975057
  C      -6.077046     -2.894842      3.260412
  C      -7.058568     -3.144455      4.422980
  C      -6.351842     -3.294111      5.779059
  C      -7.144589     -4.049179      6.810483
  C      -7.460866     -5.403484      6.615045
  C      -8.192845     -6.120365      7.555811
  C      -8.644307     -5.512949      8.741684
  C      -9.458688     -6.263627      9.721672
  C      -9.267068     -7.641882      9.921465
  C     -10.040202     -8.349039     10.840433
  C     -11.028220     -7.695566     11.579537
  C     -11.234524     -6.327703     11.389844
  C     -10.459441     -5.620188     10.472267
  C      -8.308334     -4.164869      8.948582
  C      -7.576191     -3.449900      8.000672
  C      -1.248114     -4.551975      7.139631
  C      -2.720886     -4.500633      6.715005
  C      -3.704363     -5.028583      7.797837
  C      -3.189650     -6.075442      8.801725
  C      -4.228809     -6.397767      9.845105
  C      -4.567100     -5.459456     10.831461
  C      -5.532974     -5.739487     11.793576
  C      -6.199505     -6.977255     11.813711
  C      -7.209166     -7.280645     12.849880
  C      -7.333892     -8.575839     13.382147
  C      -8.283137     -8.859315     14.363530
  C      -9.130382     -7.853263     14.834649
  C      -9.019319     -6.562607     14.312240
  C      -8.070065     -6.280083     13.331864
  C      -5.865791     -7.913740     10.822566
  C      -4.903178     -7.625386      9.855547
  H       0.613018     -3.432338      1.354717
  H       0.121008     -1.991909      0.435461
  H      -0.351880     -3.603628     -0.138228
  H      -1.276784     -2.165981      2.410817
  H      -3.553522     -2.367061      1.410743
  H      -2.844428     -2.872040     -0.122247
  H      -1.830120     -0.689919     -0.476961
  H      -1.945067     -0.286896      1.245793
  H      -4.054925      0.398604      2.270449
  H      -6.309607      1.358908      1.968531
  H      -7.392806      2.341731     -2.276095
  H      -9.687082      3.221678     -2.570295
  H     -11.394609      2.899580     -0.781110
  H     -10.777377      1.671504      1.300999
  H      -8.490931      0.766958      1.581454
  H      -6.149425      0.404775     -2.229501
  H      -3.876166     -0.518101     -1.930092
  H      -7.563387     -3.314546      1.693995
  H      -6.137934     -2.389872      1.138324
  H      -7.392169     -1.603038      2.117355
  H      -5.459030     -2.023355      3.525613
  H      -7.648435     -4.050007      4.205729
  H      -7.782543     -2.314585      4.466284
  H      -6.079387     -2.301385      6.168907
  H      -5.402761     -3.830039      5.602344
  H      -7.128580     -5.904460      5.701517
  H      -8.445363     -7.164098      7.359968
  H      -8.476484     -8.155158      9.372647
  H      -9.857943     -9.413945     10.995148
  H     -11.625014     -8.246818     12.307608
  H     -12.006505     -5.807696     11.960318
  H     -10.645103     -4.556147     10.314963
  H      -8.611826     -3.673556      9.874874
  H      -7.324433     -2.403394      8.189888
  H      -0.629264     -4.071135      6.369375
  H      -1.093283     -4.019690      8.090229
  H      -0.893523     -5.584803      7.270532
  H      -2.970463     -3.439480      6.574325
  H      -4.053212     -4.161851      8.381318
  H      -4.603147     -5.418719      7.296057
  H      -2.286501     -5.688066      9.299370
  H      -2.889762     -7.004199      8.292873
  H      -4.051636     -4.495884     10.854856
  H      -5.753202     -4.999404     12.565130
  H      -6.661631     -9.363673     13.037003
  H      -8.355542     -9.870244     14.769376
  H      -9.874240     -8.074646     15.601907
  H      -9.689278     -5.773087     14.657584
  H      -8.015517     -5.276781     12.906333
  H      -6.386104     -8.872759     10.795443
  H      -4.669084     -8.369838      9.090124
  N      -3.069829     -2.276783      4.310858
  N      -2.996692     -1.176742      4.645504
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639317973167
  N      -1.887612     -4.151524      2.239456
  C      -1.807816     -5.351802      1.411515
  C      -2.265403     -6.548004      2.230353
  N      -3.509528     -6.210025      2.966971
  C      -4.706779     -6.197863      2.087752
  C      -5.766804     -5.272226      2.664997
  N      -5.149264     -4.010309      3.084232
  Mo     -3.261647     -4.127620      3.690746
  N      -2.939563     -5.112785      5.380793
  C      -2.811186     -6.565783      5.298821
  C      -3.695506     -7.069261      4.164201
  H      -3.147482     -7.055461      6.228060
  H      -1.759875     -6.881774      5.144771
  H      -4.746567     -6.972614      4.469907
  H      -3.499897     -8.126932      3.911603
  H      -6.534390     -5.115473      1.886997
  H      -6.288516     -5.770343      3.508223
  H      -4.387770     -5.811023      1.109820
  H      -5.094254     -7.223120      1.945184
  H      -0.775740     -5.546674      1.069619
  H      -2.422600     -5.256717      0.492026
  H      -1.501500     -6.780751      2.985591
  H      -2.414007     -7.442218      1.598854
  C      -0.202960     -3.019145      0.752787
  C      -1.481185     -2.890251      1.584936
  C      -2.642270     -2.272772      0.784104
  C      -2.448553     -0.784203      0.441504
  C      -3.778508     -0.115551      0.214474
  C      -4.504543      0.396276      1.300089
  C      -5.781749      0.922988      1.128025
  C      -6.386302      0.958423     -0.139767
  C      -7.753547      1.493869     -0.318793
  C      -8.109621      2.197422     -1.483719
  C      -9.399379      2.700676     -1.653041
  C     -10.364832      2.512823     -0.660650
  C     -10.026197      1.816661      0.502832
  C      -8.736500      1.313662      0.670901
  C      -5.652526      0.456748     -1.229130
  C      -4.373551     -0.069485     -1.053384
  C      -6.852882     -2.529777      1.987774
  C      -6.095819     -2.898764      3.270469
  C      -7.071615     -3.158654      4.432633
  C      -6.359481     -3.312209      5.784390
  C      -7.156991     -4.068611      6.811799
  C      -7.446758     -5.428942      6.621416
  C      -8.191713     -6.149471      7.549092
  C      -8.681053     -5.539564      8.718390
  C      -9.504195     -6.297877      9.685986
  C      -9.302693     -7.674148      9.886630
  C     -10.081700     -8.388892     10.794741
  C     -11.084254     -7.746302     11.522323
  C     -11.299675     -6.379874     11.333360
  C     -10.519851     -5.664064     10.425578
  C      -8.370755     -4.184621      8.921579
  C      -7.627466     -3.465687      7.985437
  C      -1.248749     -4.554798      7.110933
  C      -2.726804     -4.500690      6.701111
  C      -3.697676     -5.018614      7.799717
  C      -3.159942     -6.038875      8.820452
  C      -4.197943     -6.362678      9.864980
  C      -4.540500     -5.419755     10.845639
  C      -5.503828     -5.697833     11.810030
  C      -6.162848     -6.939212     11.839394
  C      -7.168846     -7.245745     12.878448
  C      -7.280641     -8.541624     13.413526
  C      -8.224721     -8.831445     14.398486
  C      -9.076122     -7.830055     14.872043
  C      -8.975779     -6.539189     14.349117
  C      -8.034398     -6.250612     13.363402
  C      -5.825574     -7.880629     10.853342
  C      -4.865035     -7.594048      9.883430
  H       0.606837     -3.473229      1.342178
  H       0.130705     -2.022964      0.429444
  H      -0.361404     -3.626764     -0.150813
  H      -1.264694     -2.188422      2.407008
  H      -3.547229     -2.369362      1.404323
  H      -2.833106     -2.852338     -0.135402
  H      -1.801707     -0.665429     -0.440946
  H      -1.938262     -0.293396      1.287404
  H      -4.061300      0.370511      2.299338
  H      -6.316506      1.326896      1.989677
  H      -7.356363      2.373172     -2.253792
  H      -9.649424      3.251173     -2.562022
  H     -11.373752      2.907310     -0.792317
  H     -10.773633      1.657818      1.282494
  H      -8.490596      0.751149      1.573816
  H      -6.103220      0.453463     -2.223559
  H      -3.831294     -0.466069     -1.915670
  H      -7.581986     -3.302299      1.699269
  H      -6.155823     -2.373894      1.152842
  H      -7.411260     -1.594335      2.136967
  H      -5.474952     -2.029452      3.538907
  H      -7.658913     -4.065479      4.214187
  H      -7.797202     -2.330331      4.484035
  H      -6.089188     -2.319636      6.176615
  H      -5.412282     -3.849222      5.607633
  H      -7.082168     -5.930312      5.720343
  H      -8.422615     -7.198452      7.355113
  H      -8.497648     -8.179560      9.352028
  H      -9.892915     -9.452755     10.949496
  H     -11.686139     -8.304970     12.240736
  H     -12.079412     -5.866881     11.899445
  H     -10.712059     -4.600867     10.271056
  H      -8.701476     -3.691135      9.837362
  H      -7.400340     -2.412900      8.171527
  H      -0.635330     -4.089616      6.326644
  H      -1.081208     -4.008182      8.051317
  H      -0.898232     -5.586968      7.255637
  H      -2.974621     -3.439715      6.555535
  H      -4.058750     -4.146340      8.366171
  H      -4.592312     -5.434002      7.309948
  H      -2.268183     -5.623177      9.315480
  H      -2.834924     -6.968566      8.329060
  H      -4.030260     -4.453069     10.860950
  H      -5.725686     -4.955803     12.579571
  H      -6.601028     -9.323141     13.068795
  H      -8.289217     -9.842633     14.805026
  H      -9.816223     -8.055864     15.641794
  H      -9.647160     -5.753299     14.700302
  H      -7.987628     -5.247255     12.936551
  H      -6.341583     -8.842000     10.835505
  H      -4.620920     -8.344357      9.126818
  N      -3.072228     -2.276654      4.291068
  N      -2.988690     -1.175774      4.620506
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639546812087
  N      -1.880628     -4.151726      2.251133
  C      -1.799527     -5.361410      1.437550
  C      -2.256672     -6.546886      2.271723
  N      -3.501571     -6.198874      3.002660
  C      -4.699651     -6.197251      2.122996
  C      -5.758756     -5.263961      2.690076
  N      -5.138666     -3.997115      3.092235
  Mo     -3.252200     -4.109820      3.704430
  N      -2.930652     -5.078837      5.403261
  C      -2.804132     -6.532365      5.338042
  C      -3.688796     -7.045542      4.209169
  H      -3.142810     -7.009501      6.272953
  H      -1.753230     -6.851405      5.189579
  H      -4.740314     -6.946074      4.512354
  H      -3.492960     -8.106327      3.969513
  H      -6.527642     -5.115419      1.912266
  H      -6.279396     -5.751692      3.539971
  H      -4.380023     -5.822855      1.140749
  H      -5.087326     -7.223876      1.992763
  H      -0.767173     -5.560563      1.098755
  H      -2.413734     -5.279138      0.516696
  H      -1.492958     -6.769416      3.029916
  H      -2.405677     -7.449662      1.652561
  C      -0.206021     -3.034235      0.742625
  C      -1.481261     -2.898756      1.577617
  C      -2.649157     -2.299648      0.771048
  C      -2.458383     -0.818628      0.394108
  C      -3.789469     -0.151032      0.172065
  C      -4.492623      0.396151      1.255858
  C      -5.768295      0.928395      1.091016
  C      -6.395204      0.932102     -0.166917
  C      -7.760998      1.473828     -0.337198
  C      -8.133223      2.149586     -1.513156
  C      -9.422996      2.655809     -1.672711
  C     -10.372180      2.498470     -0.659569
  C     -10.017467      1.829694      0.514915
  C      -8.727699      1.323704      0.673492
  C      -5.685121      0.393736     -1.253912
  C      -4.406767     -0.136807     -1.085662
  C      -6.839851     -2.530544      1.975879
  C      -6.082375     -2.880135      3.262878
  C      -7.061344     -3.123523      4.428001
  C      -6.351458     -3.266503      5.783279
  C      -7.148115     -4.009786      6.820327
  C      -7.450575     -5.369741      6.644379
  C      -8.193010     -6.075536      7.585433
  C      -8.670017     -5.449935      8.751782
  C      -9.495936     -6.189225      9.731051
  C      -9.293591     -7.560851      9.962392
  C     -10.075934     -8.257404     10.881760
  C     -11.083590     -7.600054     11.589867
  C     -11.300383     -6.238432     11.369060
  C     -10.516242     -5.541267     10.451007
  C      -8.347888     -4.095692      8.939550
  C      -7.604553     -3.392342      7.991780
  C      -1.256925     -4.488949      7.138006
  C      -2.733032     -4.457785      6.721719
  C      -3.702771     -4.995034      7.812496
  C      -3.157136     -6.016087      8.826666
  C      -4.196352     -6.378611      9.856623
  C      -4.577311     -5.457050     10.843245
  C      -5.543141     -5.774529     11.793543
  C      -6.166299     -7.034825     11.801432
  C      -7.174809     -7.379357     12.825905
  C      -7.262666     -8.683483     13.344268
  C      -8.210989     -9.007062     14.314251
  C      -9.092979     -8.032690     14.788351
  C      -9.017963     -6.733798     14.280547
  C      -8.070464     -6.411300     13.310935
  C      -5.790522     -7.954483     10.809065
  C      -4.828320     -7.628597      9.853746
  H       0.609822     -3.472173      1.335881
  H       0.119495     -2.042077      0.399428
  H      -0.365186     -3.659329     -0.148640
  H      -1.264833     -2.183344      2.387733
  H      -3.550729     -2.383551      1.397898
  H      -2.846086     -2.899222     -0.134172
  H      -1.824236     -0.721077     -0.500280
  H      -1.933828     -0.311700      1.221381
  H      -4.030958      0.397641      2.246943
  H      -6.283172      1.364333      1.949239
  H      -7.392841      2.300706     -2.300876
  H      -9.685861      3.184904     -2.590723
  H     -11.381198      2.895002     -0.784058
  H     -10.752658      1.693601      1.310340
  H      -8.468839      0.782726      1.585816
  H      -6.153358      0.366378     -2.239815
  H      -3.882186     -0.561318     -1.945614
  H      -7.567284     -3.307693      1.697217
  H      -6.142785     -2.383119      1.139171
  H      -7.399372     -1.594233      2.113688
  H      -5.462297     -2.007919      3.521482
  H      -7.652026     -4.030118      4.217560
  H      -7.784415     -2.292675      4.468897
  H      -6.076344     -2.271538      6.165762
  H      -5.404485     -3.807348      5.610411
  H      -7.099659     -5.882985      5.744562
  H      -8.434971     -7.124237      7.403387
  H      -8.486607     -8.076544      9.440302
  H      -9.885657     -9.317062     11.061282
  H     -11.687770     -8.143179     12.318055
  H     -12.086398     -5.715035     11.916684
  H     -10.709885     -4.482420     10.270061
  H      -8.670550     -3.590170      9.851645
  H      -7.366074     -2.340079      8.165980
  H      -0.647730     -4.011320      6.358064
  H      -1.102169     -3.943056      8.080847
  H      -0.890917     -5.516264      7.280127
  H      -2.996245     -3.400824      6.574330
  H      -4.077767     -4.131751      8.384460
  H      -4.589272     -5.418290      7.315384
  H      -2.277921     -5.589540      9.334909
  H      -2.810306     -6.932383      8.324751
  H      -4.095801     -4.476265     10.875515
  H      -5.796671     -5.046831     12.566742
  H      -6.562323     -9.445638     12.997457
  H      -8.255371    -10.024086     14.708755
  H      -9.836274     -8.285293     15.546524
  H      -9.714230     -5.969014     14.629619
  H      -8.043651     -5.402438     12.895904
  H      -6.277322     -8.930695     10.772945
  H      -4.558069     -8.361496      9.089024
  N      -3.063189     -2.256111      4.287981
  N      -2.981387     -1.152692      4.608551
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639555680033
  N      -1.875160     -4.146847      2.244270
  C      -1.793091     -5.354588      1.427926
  C      -2.246079     -6.542299      2.260933
  N      -3.490685     -6.198170      2.994024
  C      -4.690275     -6.191203      2.116233
  C      -5.748095     -5.261608      2.692134
  N      -5.127103     -3.995831      3.097404
  Mo     -3.239059     -4.112726      3.704533
  N      -2.916864     -5.088693      5.398981
  C      -2.794747     -6.542114      5.329611
  C      -3.678421     -7.049506      4.197443
  H      -3.136930     -7.020216      6.262602
  H      -1.744474     -6.863734      5.182927
  H      -4.730084     -6.951724      4.500531
  H      -3.482281     -8.109522      3.954374
  H      -6.520213     -5.110466      1.918097
  H      -6.264670     -5.753654      3.541997
  H      -4.373050     -5.810213      1.135847
  H      -5.078268     -7.216895      1.979966
  H      -0.760880     -5.551102      1.087020
  H      -2.408837     -5.271438      0.508223
  H      -1.480836     -6.764656      3.017591
  H      -2.393665     -7.444460      1.640351
  C      -0.205636     -3.022128      0.735869
  C      -1.480217     -2.891884      1.572548
  C      -2.651745     -2.295746      0.768724
  C      -2.463941     -0.815252      0.388024
  C      -3.796988     -0.149569      0.172293
  C      -4.496103      0.394196      1.260441
  C      -5.773467      0.924039      1.102255
  C      -6.406640      0.928075     -0.152715
  C      -7.775628      1.463872     -0.313738
  C      -8.157553      2.146034     -1.482835
  C      -9.451158      2.645347     -1.632415
  C     -10.394675      2.474213     -0.616094
  C     -10.030442      1.798355      0.551282
  C      -8.736749      1.299368      0.699997
  C      -5.699790      0.395168     -1.244360
  C      -4.419546     -0.132906     -1.082850
  C      -6.837003     -2.527783      1.995428
  C      -6.071052     -2.880201      3.276256
  C      -7.043590     -3.131299      4.445915
  C      -6.325592     -3.283715      5.796215
  C      -7.115012     -4.036101      6.832173
  C      -7.424711     -5.392803      6.643292
  C      -8.166052     -6.105055      7.580389
  C      -8.634755     -5.489740      8.755557
  C      -9.468939     -6.233230      9.724570
  C      -9.281708     -7.610116      9.938002
  C     -10.079234     -8.312614     10.839715
  C     -11.085936     -7.655268     11.549488
  C     -11.286470     -6.287860     11.347602
  C     -10.487707     -5.585291     10.446500
  C      -8.303137     -4.139737      8.957411
  C      -7.560901     -3.429838      8.013498
  C      -1.240640     -4.511760      7.135759
  C      -2.715643     -4.468326      6.717243
  C      -3.693910     -4.992241      7.807050
  C      -3.167698     -6.028525      8.814886
  C      -4.211257     -6.373501      9.846325
  C      -4.566502     -5.448487     10.839418
  C      -5.537802     -5.746992     11.790226
  C      -6.193925     -6.990496     11.791519
  C      -7.206641     -7.314684     12.818167
  C      -7.338279     -8.622528     13.317591
  C      -8.291459     -8.926677     14.288979
  C      -9.134496     -7.928560     14.784414
  C      -9.016144     -6.625556     14.295373
  C      -8.063747     -6.322625     13.324081
  C      -5.844913     -7.912732     10.791304
  C      -4.875924     -7.606329      9.836458
  H       0.611338     -3.460672      1.327143
  H       0.118117     -2.028271      0.395939
  H      -0.364251     -3.644418     -0.157418
  H      -1.264819     -2.177186      2.383389
  H      -3.551348     -2.378547      1.398565
  H      -2.851760     -2.896986     -0.134685
  H      -1.834593     -0.718465     -0.509911
  H      -1.935691     -0.306644      1.211868
  H      -4.029356      0.396072      2.249160
  H      -6.284668      1.358861      1.963294
  H      -7.421870      2.307645     -2.273005
  H      -9.721667      3.179848     -2.545060
  H     -11.406761      2.865235     -0.732860
  H     -10.761343      1.650780      1.348609
  H      -8.470433      0.751892      1.606367
  H      -6.172054      0.369553     -2.228414
  H      -3.897554     -0.554044     -1.946048
  H      -7.565937     -3.304199      1.719027
  H      -6.145568     -2.376867      1.154688
  H      -7.395693     -1.592040      2.140649
  H      -5.451395     -2.008002      3.535311
  H      -7.633129     -4.038002      4.232375
  H      -7.768771     -2.302918      4.496062
  H      -6.048150     -2.291548      6.184504
  H      -5.379055     -3.822208      5.612900
  H      -7.083303     -5.897847      5.735203
  H      -8.416570     -7.149640      7.386496
  H      -8.476403     -8.126920      9.414017
  H      -9.900660     -9.376582     11.004921
  H     -11.702471     -8.202923     12.263773
  H     -12.074165     -5.764922     11.893460
  H     -10.671548     -4.522755     10.277024
  H      -8.619816     -3.641686      9.875774
  H      -7.316294     -2.380763      8.198174
  H      -0.626573     -4.038166      6.357245
  H      -1.082473     -3.968345      8.079455
  H      -0.883751     -5.542438      7.277067
  H      -2.968724     -3.409069      6.568282
  H      -4.050079     -4.124339      8.384401
  H      -4.590546     -5.394000      7.310149
  H      -2.278106     -5.623350      9.322483
  H      -2.842775     -6.949484      8.306823
  H      -4.060041     -4.480567     10.876288
  H      -5.770862     -5.017836     12.568407
  H      -6.668262     -9.404109     12.954346
  H      -8.369847     -9.947304     14.668600
  H      -9.881331     -8.165857     15.544026
  H      -9.682517     -5.841869     14.660268
  H      -8.004327     -5.309514     12.923155
  H      -6.354582     -8.877324     10.751105
  H      -4.627487     -8.340676      9.065729
  N      -3.051580     -2.261484      4.295316
  N      -2.971420     -1.158748      4.618017
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639601498569
  N      -1.882430     -4.152794      2.245772
  C      -1.801601     -5.362350      1.431758
  C      -2.257788     -6.547818      2.266432
  N      -3.502510     -6.200560      2.997781
  C      -4.701333     -6.193989      2.119103
  C      -5.758997     -5.262075      2.691607
  N      -5.137321     -3.996103      3.094969
  Mo     -3.249771     -4.113049      3.702708
  N      -2.930982     -5.084841      5.400420
  C      -2.808352     -6.538491      5.334456
  C      -3.691558     -7.048685      4.203097
  H      -3.150819     -7.014972      6.267992
  H      -1.757910     -6.860280      5.188905
  H      -4.743306     -6.949279      4.505218
  H      -3.496022     -8.109435      3.962764
  H      -6.529842     -5.111926      1.916087
  H      -6.277326     -5.751710      3.541726
  H      -4.382688     -5.815192      1.138307
  H      -5.090370     -7.219519      1.984354
  H      -0.769339     -5.561344      1.092537
  H      -2.415938     -5.279850      0.511069
  H      -1.493742     -6.769995      3.024389
  H      -2.406082     -7.450924      1.647387
  C      -0.206700     -3.034030      0.738991
  C      -1.482423     -2.899666      1.573464
  C      -2.650627     -2.300407      0.767539
  C      -2.459137     -0.819629      0.389946
  C      -3.790159     -0.151210      0.169987
  C      -4.493593      0.390736      1.256283
  C      -5.769163      0.923599      1.093360
  C      -6.395774      0.933296     -0.164822
  C      -7.761986      1.474444     -0.331597
  C      -8.135140      2.160606     -1.501192
  C      -9.425815      2.665757     -1.656266
  C     -10.375088      2.496764     -0.644973
  C     -10.019523      1.817249      0.522971
  C      -8.728770      1.312314      0.677115
  C      -5.684865      0.401498     -1.254386
  C      -4.406655     -0.129976     -1.088049
  C      -6.844043     -2.525841      1.991319
  C      -6.080031     -2.879060      3.273122
  C      -7.053797     -3.127283      4.442329
  C      -6.337485     -3.280126      5.793429
  C      -7.130869     -4.029357      6.828585
  C      -7.439966     -5.386536      6.642197
  C      -8.183135     -6.096796      7.579335
  C      -8.652748     -5.479303      8.752932
  C      -9.485267     -6.221804      9.724005
  C      -9.301553     -7.599569      9.934340
  C     -10.097082     -8.300813     10.838691
  C     -11.097913     -7.641288     11.554652
  C     -11.294933     -6.272912     11.356028
  C     -10.498491     -5.571671     10.451806
  C      -8.321743     -4.128848      8.952385
  C      -7.579126     -3.420469      8.007621
  C      -1.251795     -4.493639      7.130653
  C      -2.728546     -4.460480      6.717014
  C      -3.699198     -4.987179      7.812253
  C      -3.157928     -6.006663      8.829430
  C      -4.199214     -6.363497      9.859087
  C      -4.576597     -5.438170     10.843713
  C      -5.545697     -5.748520     11.792977
  C      -6.175746     -7.005463     11.802565
  C      -7.183456     -7.343666     12.829803
  C      -7.281831     -8.648316     13.344992
  C      -8.229146     -8.965718     14.317859
  C      -9.100091     -7.984538     14.798421
  C      -9.015489     -6.685116     14.293133
  C      -8.068543     -6.368754     13.320908
  C      -5.804472     -7.928144     10.810818
  C      -4.839290     -7.609271      9.856256
  H       0.608024     -3.474475      1.331938
  H       0.120427     -2.041291      0.399017
  H      -0.365422     -3.656380     -0.154249
  H      -1.266329     -2.185018      2.384216
  H      -3.551888     -2.382563      1.395036
  H      -2.849123     -2.899833     -0.137403
  H      -1.826030     -0.722178     -0.505216
  H      -1.933475     -0.313215      1.216829
  H      -4.031950      0.388403      2.247391
  H      -6.283909      1.356482      1.953248
  H      -7.394802      2.320649     -2.287276
  H      -9.689440      3.203176     -2.569205
  H     -11.384844      2.892485     -0.765951
  H     -10.754869      1.671641      1.316562
  H      -8.469240      0.762397      1.583910
  H      -6.152216      0.379952     -2.240874
  H      -3.881343     -0.549678     -1.949917
  H      -7.574081     -3.301064      1.714571
  H      -6.151305     -2.376910      1.151249
  H      -7.401289     -1.589022      2.135295
  H      -5.458958     -2.007654      3.531741
  H      -7.645082     -4.032907      4.229270
  H      -7.777235     -2.297297      4.491604
  H      -6.058120     -2.288344      6.181272
  H      -5.392221     -3.821188      5.612020
  H      -7.095360     -5.893685      5.736528
  H      -8.431597     -7.142374      7.388139
  H      -8.500271     -8.118237      9.406164
  H      -9.921144     -9.365562     11.001359
  H     -11.712970     -8.188184     12.270807
  H     -12.078480     -5.748224     11.906226
  H     -10.679357     -4.508145     10.285391
  H      -8.638785     -3.629306      9.869802
  H      -7.334266     -2.371242      8.191058
  H      -0.643244     -4.019431      6.348195
  H      -1.093693     -3.945578      8.071724
  H      -0.888132     -5.521526      7.274748
  H      -2.988471     -3.403162      6.566174
  H      -4.066418     -4.119035      8.382155
  H      -4.590748     -5.405355      7.319874
  H      -2.278181     -5.581098      9.337597
  H      -2.813382     -6.924849      8.329502
  H      -4.089412     -4.460202     10.874887
  H      -5.795710     -5.018509     12.565014
  H      -6.589451     -9.415897     12.994149
  H      -8.281132     -9.983211     14.710215
  H      -9.842557     -8.232292     15.558970
  H      -9.703809     -5.915141     14.646297
  H      -8.035219     -5.359509     12.907426
  H      -6.294223     -8.903118     10.776598
  H      -4.573027     -8.344526      9.092398
  N      -3.059790     -2.260217      4.288279
  N      -2.977534     -1.156699      4.608081
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639609968143
  N      -1.886819     -4.153750      2.250234
  C      -1.806713     -5.365796      1.439819
  C      -2.264982     -6.548327      2.277456
  N      -3.509838     -6.197702      3.006685
  C      -4.707688     -6.192071      2.126926
  C      -5.765237     -5.258303      2.696242
  N      -5.143321     -3.991763      3.097095
  Mo     -3.255925     -4.107753      3.705390
  N      -2.940501     -5.075319      5.406365
  C      -2.818029     -6.529138      5.344577
  C      -3.700603     -7.042236      4.214086
  H      -3.161189     -7.003194      6.279235
  H      -1.767517     -6.851550      5.200608
  H      -4.752530     -6.941197      4.514970
  H      -3.505544     -8.103780      3.976951
  H      -6.535307     -5.109654      1.919610
  H      -6.284613     -5.745598      3.547048
  H      -4.387727     -5.815334      1.145741
  H      -5.097456     -7.217548      1.993733
  H      -0.774394     -5.566912      1.102070
  H      -2.420090     -5.285290      0.518323
  H      -1.501907     -6.769106      3.036827
  H      -2.413601     -7.453080      1.660887
  C      -0.207663     -3.041902      0.741993
  C      -1.484068     -2.903187      1.574745
  C      -2.650370     -2.304100      0.766100
  C      -2.456869     -0.823963      0.387006
  C      -3.786586     -0.154701      0.161743
  C      -4.494722      0.386384      1.245446
  C      -5.769058      0.920569      1.077199
  C      -6.389544      0.932772     -0.183979
  C      -7.753930      1.476661     -0.356786
  C      -8.119926      2.164893     -1.527408
  C      -9.408670      2.673205     -1.688085
  C     -10.363100      2.505418     -0.681464
  C     -10.014651      1.823918      0.487481
  C      -8.725825      1.315782      0.647213
  C      -5.674139      0.401383     -1.270782
  C      -4.397242     -0.131582     -1.099063
  C      -6.849534     -2.523638      1.990687
  C      -6.086189     -2.874679      3.273509
  C      -7.060484     -3.121133      4.442598
  C      -6.345168     -3.269566      5.794581
  C      -7.140101     -4.013842      6.832009
  C      -7.438832     -5.374843      6.657112
  C      -8.180300     -6.081725      7.598103
  C      -8.660458     -5.456244      8.763184
  C      -9.491205     -6.195833      9.737998
  C      -9.292871     -7.568377      9.968058
  C     -10.086808     -8.266929     10.875852
  C     -11.101404     -7.610229     11.574768
  C     -11.312759     -6.246982     11.356897
  C     -10.517137     -5.548151     10.450112
  C      -8.340986     -4.101321      8.950622
  C      -7.598162     -3.396954      8.003045
  C      -1.258903     -4.479301      7.132235
  C      -2.736511     -4.448280      6.721434
  C      -3.703827     -4.976850      7.818587
  C      -3.157751     -5.997056      8.832422
  C      -4.198292     -6.365540      9.858682
  C      -4.578502     -5.450303     10.851649
  C      -5.544248     -5.773407     11.800082
  C      -6.168899     -7.033086     11.799661
  C      -7.170669     -7.386106     12.827704
  C      -7.261079     -8.696493     13.329570
  C      -8.201154     -9.027769     14.304836
  C      -9.072330     -8.054928     14.801544
  C      -8.995583     -6.749904     14.309585
  C      -8.056417     -6.419855     13.334476
  C      -5.796731     -7.944628     10.798042
  C      -4.833890     -7.613552      9.845288
  H       0.605594     -3.482350      1.336948
  H       0.121642     -2.050583      0.400004
  H      -0.366408     -3.666128     -0.149956
  H      -1.267662     -2.186627      2.383755
  H      -3.552676     -2.384524      1.392322
  H      -2.847860     -2.904483     -0.138432
  H      -1.820758     -0.728026     -0.506153
  H      -1.933638     -0.316784      1.214997
  H      -4.037953      0.382052      2.238784
  H      -6.287656      1.352385      1.935297
  H      -7.375483      2.324001     -2.309776
  H      -9.666703      3.212159     -2.601714
  H     -11.371316      2.903702     -0.806785
  H     -10.754019      1.679391      1.277527
  H      -8.471782      0.764567      1.554748
  H      -6.136833      0.381608     -2.259501
  H      -3.868291     -0.550729     -1.958970
  H      -7.579371     -3.299374      1.714812
  H      -6.156168     -2.376286      1.150830
  H      -7.406925     -1.586572      2.132659
  H      -5.465297     -2.002746      3.530782
  H      -7.650814     -4.027856      4.231609
  H      -7.784629     -2.291612      4.489423
  H      -6.065555     -2.276424      6.178720
  H      -5.400363     -3.812256      5.615808
  H      -7.085309     -5.888258      5.758449
  H      -8.419117     -7.131209      7.416424
  H      -8.480928     -8.084345      9.453731
  H      -9.899176     -9.327138     11.054336
  H     -11.715590     -8.154987     12.293297
  H     -12.106427     -5.724232     11.894291
  H     -10.708777     -4.488945     10.269000
  H      -8.665746     -3.595281      9.861719
  H      -7.361182     -2.344469      8.177960
  H      -0.652382     -4.005994      6.347652
  H      -1.099531     -3.929249      8.071917
  H      -0.893864     -5.506526      7.277584
  H      -2.998307     -3.391474      6.570249
  H      -4.071757     -4.110136      8.390125
  H      -4.595488     -5.396656      7.327881
  H      -2.281402     -5.568224      9.343797
  H      -2.806587     -6.910620      8.328526
  H      -4.094871     -4.470866     10.890964
  H      -5.795373     -5.051711     12.579550
  H      -6.567760     -9.457628     12.966753
  H      -8.246927    -10.049552     14.686684
  H      -9.808920     -8.313413     15.564236
  H      -9.684317     -5.986193     14.675319
  H      -8.029207     -5.406077     12.931871
  H      -6.282871     -8.921061     10.755488
  H      -4.565534     -8.341080      9.074795
  N      -3.064072     -2.253116      4.284681
  N      -2.980320     -1.148509      4.600514
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639622056571
  N      -1.885890     -4.157016      2.248715
  C      -1.806722     -5.371479      1.441981
  C      -2.264261     -6.551301      2.283675
  N      -3.508098     -6.198256      3.013211
  C      -4.706954     -6.191941      2.134802
  C      -5.762909     -5.256861      2.704988
  N      -5.139561     -3.990039      3.103108
  Mo     -3.250917     -4.107242      3.707620
  N      -2.936248     -5.072249      5.410135
  C      -2.815771     -6.526134      5.351920
  C      -3.699065     -7.040321      4.222376
  H      -3.159919     -6.997388      6.287774
  H      -1.765693     -6.850425      5.209062
  H      -4.750754     -6.937882      4.523571
  H      -3.505012     -8.102480      3.987250
  H      -6.534274     -5.108915      1.929469
  H      -6.281052     -5.742738      3.557406
  H      -4.387951     -5.815774      1.153099
  H      -5.098008     -7.217043      2.002395
  H      -0.774714     -5.573748      1.103895
  H      -2.420791     -5.293619      0.520696
  H      -1.500426     -6.770101      3.042873
  H      -2.413509     -7.457848      1.669830
  C      -0.211564     -3.049923      0.732072
  C      -1.485365     -2.908463      1.568211
  C      -2.654101     -2.311591      0.761245
  C      -2.460399     -0.833065      0.375664
  C      -3.790346     -0.162662      0.155226
  C      -4.491877      0.382454      1.241194
  C      -5.766351      0.917839      1.078200
  C      -6.393768      0.926988     -0.179586
  C      -7.758738      1.471259     -0.345963
  C      -8.130999      2.157872     -1.515561
  C      -9.420444      2.666402     -1.669791
  C     -10.369371      2.500315     -0.657657
  C     -10.014734      1.820161      0.510195
  C      -8.725179      1.311869      0.663516
  C      -5.684756      0.392039     -1.268819
  C      -4.407607     -0.142035     -1.102422
  C      -6.848061     -2.522767      1.998353
  C      -6.081884     -2.872590      3.279772
  C      -7.053857     -3.118580      4.451062
  C      -6.335502     -3.270471      5.801138
  C      -7.129414     -4.015802      6.838559
  C      -7.434263     -5.374838      6.658921
  C      -8.177899     -6.082027      7.598036
  C      -8.653190     -5.459134      8.766534
  C      -9.486740     -6.198895      9.738959
  C      -9.298856     -7.574564      9.958928
  C     -10.095714     -8.273141     10.864161
  C     -11.102369     -7.613101     11.571301
  C     -11.302914     -6.246522     11.364072
  C     -10.504958     -5.547896     10.459091
  C      -8.326640     -4.106610      8.959183
  C      -7.582916     -3.401554      8.012763
  C      -1.250932     -4.469723      7.130111
  C      -2.729404     -4.440578      6.722402
  C      -3.694436     -4.965912      7.822938
  C      -3.145927     -5.982716      8.838573
  C      -4.188138     -6.355582      9.861355
  C      -4.576225     -5.441350     10.852226
  C      -5.546973     -5.766597     11.794753
  C      -6.169017     -7.027540     11.790502
  C      -7.179496     -7.380709     12.809754
  C      -7.277578     -8.692118     13.307497
  C      -8.228264     -9.023959     14.272247
  C      -9.102603     -8.050621     14.762571
  C      -9.017914     -6.744439     14.275002
  C      -8.068302     -6.413945     13.310242
  C      -5.787865     -7.938557     10.791604
  C      -4.820188     -7.605326      9.844605
  H       0.603378     -3.488715      1.325962
  H       0.116885     -2.059661      0.386218
  H      -0.373002     -3.676797     -0.157543
  H      -1.266366     -2.189469      2.374333
  H      -3.554387     -2.388294      1.390866
  H      -2.855586     -2.915240     -0.140240
  H      -1.828841     -0.741136     -0.521160
  H      -1.932213     -0.323697      1.199150
  H      -4.029653      0.380683      2.232023
  H      -6.279649      1.353061      1.937772
  H      -7.390844      2.315590     -2.302309
  H      -9.683369      3.204173     -2.582729
  H     -11.378144      2.898752     -0.777947
  H     -10.749849      1.676756      1.304409
  H      -8.466347      0.761475      1.570241
  H      -6.152723      0.370160     -2.255026
  H      -3.883736     -0.564245     -1.963950
  H      -7.578856     -3.298477      1.724886
  H      -6.156597     -2.376396      1.156780
  H      -7.404703     -1.585299      2.140851
  H      -5.460417     -2.000539      3.535089
  H      -7.645364     -4.024646      4.240298
  H      -7.777283     -2.288602      4.500446
  H      -6.053144     -2.278611      6.186712
  H      -5.391867     -3.814195      5.618804
  H      -7.085428     -5.886005      5.757100
  H      -8.422329     -7.129470      7.412119
  H      -8.492849     -8.093651      9.438493
  H      -9.915944     -9.336041     11.034597
  H     -11.718471     -8.157811     12.288247
  H     -12.089772     -5.720838     11.908471
  H     -10.688252     -4.485793     10.286459
  H      -8.647432     -3.602674      9.872870
  H      -7.341411     -2.350714      8.191418
  H      -0.646409     -3.998408      6.342789
  H      -1.089700     -3.916855      8.067790
  H      -0.885293     -5.496437      7.277666
  H      -2.991839     -3.384345      6.568220
  H      -4.062132     -4.097724      8.392464
  H      -4.586787     -5.387689      7.335198
  H      -2.273266     -5.549276      9.352316
  H      -2.788843     -6.894618      8.335645
  H      -4.096263     -4.460177     10.893230
  H      -5.805804     -5.044734     12.571552
  H      -6.582718     -9.454049     12.949288
  H      -8.280228    -10.046693     14.650754
  H      -9.847478     -8.309530     15.517029
  H      -9.708796     -5.980221     14.635598
  H      -8.035670     -5.399402     12.909972
  H      -6.271786     -8.915997     10.745395
  H      -4.546383     -8.331899      9.075113
  N      -3.057780     -2.251236      4.282121
  N      -2.973467     -1.145632      4.594063
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639631814949
  N      -1.888114     -4.155774      2.249931
  C      -1.807380     -5.370367      1.443469
  C      -2.265778     -6.550154      2.284909
  N      -3.510713     -6.197355      3.012684
  C      -4.708490     -6.190061      2.132703
  C      -5.765044     -5.255460      2.702657
  N      -5.141901     -3.988817      3.101592
  Mo     -3.253886     -4.106644      3.707876
  N      -2.942295     -5.072078      5.410716
  C      -2.822745     -6.526071      5.352712
  C      -3.703731     -7.039781      4.221264
  H      -3.169359     -6.997001      6.287704
  H      -1.772529     -6.850993      5.212373
  H      -4.756096     -6.938144      4.520247
  H      -3.508592     -8.101869      3.986604
  H      -6.536148     -5.107214      1.926971
  H      -6.283403     -5.741885      3.554572
  H      -4.388156     -5.812689      1.151930
  H      -5.099439     -7.214950      1.998477
  H      -0.774804     -5.572475      1.107007
  H      -2.419984     -5.293040      0.521203
  H      -1.502883     -6.768450      3.045200
  H      -2.413914     -7.457050      1.671278
  C      -0.210741     -3.048371      0.736679
  C      -1.486134     -2.907303      1.570414
  C      -2.653770     -2.311027      0.761509
  C      -2.459102     -0.833134      0.373842
  C      -3.788444     -0.162067      0.152080
  C      -4.491506      0.381668      1.237905
  C      -5.765343      0.918018      1.073617
  C      -6.390691      0.929367     -0.185293
  C      -7.755026      1.474788     -0.352982
  C      -8.124903      2.164808     -1.521246
  C      -9.413926      2.674151     -1.676274
  C     -10.364715      2.505411     -0.666339
  C     -10.012454      1.821736      0.500149
  C      -8.723320      1.312622      0.654319
  C      -5.680224      0.395915     -1.274162
  C      -4.403544     -0.139006     -1.106480
  C      -6.850709     -2.520538      1.999111
  C      -6.083953     -2.871292      3.279859
  C      -7.055996     -3.118575      4.451097
  C      -6.337522     -3.273821      5.800828
  C      -7.131072     -4.021005      6.837074
  C      -7.438431     -5.379084      6.654056
  C      -8.180882     -6.087923      7.592821
  C      -8.652198     -5.467947      8.764467
  C      -9.485303     -6.209188      9.736010
  C      -9.301675     -7.586473      9.949695
  C     -10.099521     -8.286414     10.853013
  C     -11.102698     -7.625958     11.564864
  C     -11.299017     -6.257803     11.363820
  C     -10.500136     -5.557982     10.460647
  C      -8.322961     -4.116582      8.960539
  C      -7.580608     -3.409744      8.014341
  C      -1.254304     -4.469678      7.128604
  C      -2.733173     -4.439728      6.722563
  C      -3.697433     -4.962195      7.825109
  C      -3.150435     -5.981953      8.838522
  C      -4.191442     -6.353313      9.862971
  C      -4.573486     -5.440306     10.857340
  C      -5.542925     -5.764502     11.801621
  C      -6.169513     -7.023255     11.795993
  C      -7.176346     -7.376203     12.818922
  C      -7.276042     -8.688555     13.313719
  C      -8.222629     -9.020070     14.282536
  C      -9.091674     -8.045586     14.779842
  C      -9.005739     -6.738392     14.294989
  C      -8.059752     -6.408108     13.326573
  C      -5.794525     -7.932799     10.793452
  C      -4.828503     -7.600486      9.844484
  H       0.602886     -3.487831      1.331878
  H       0.118761     -2.057986      0.392218
  H      -0.370549     -3.674540     -0.153713
  H      -1.268935     -2.188110      2.376840
  H      -3.554692     -2.386378      1.390342
  H      -2.854775     -2.915749     -0.139348
  H      -1.827308     -0.742986     -0.523002
  H      -1.930646     -0.323034      1.196716
  H      -4.030791      0.378459      2.229430
  H      -6.279815      1.352416      1.932907
  H      -7.383325      2.324361     -2.306301
  H      -9.675085      3.214662     -2.588097
  H     -11.373145      2.904497     -0.787325
  H     -10.749127      1.676116      1.292511
  H      -8.466081      0.759575      1.559860
  H      -6.146554      0.376064     -2.261188
  H      -3.878371     -0.560128     -1.967750
  H      -7.581952     -3.295707      1.725552
  H      -6.159622     -2.373741      1.157257
  H      -7.406767     -1.582908      2.142773
  H      -5.462683     -1.999459      3.536155
  H      -7.647937     -4.023951      4.238517
  H      -7.779168     -2.288509      4.502106
  H      -6.053621     -2.283172      6.188336
  H      -5.394551     -3.818047      5.616566
  H      -7.092742     -5.888299      5.749958
  H      -8.427440     -7.134410      7.404285
  H      -8.498549     -8.106222      9.425316
  H      -9.922978     -9.350631     11.018355
  H     -11.719813     -8.171738     12.280112
  H     -12.084075     -5.731865     11.910659
  H     -10.680507     -4.494671     10.292405
  H      -8.640805     -3.614774      9.876427
  H      -7.336649     -2.359964      8.195795
  H      -0.650463     -3.998405      6.340740
  H      -1.091670     -3.917225      8.066300
  H      -0.888976     -5.496624      7.275297
  H      -2.994789     -3.383379      6.567937
  H      -4.059319     -4.092764      8.396615
  H      -4.593350     -5.379264      7.339901
  H      -2.275431     -5.551797      9.351045
  H      -2.797435     -6.894124      8.333371
  H      -4.089388     -4.461244     10.899912
  H      -5.796345     -5.043909     12.581332
  H      -6.585267     -9.451730     12.950284
  H      -8.275553    -10.043597     14.658765
  H      -9.833343     -8.304269     15.537508
  H      -9.692730     -5.973130     14.660735
  H      -8.026487     -5.392613     12.928777
  H      -6.281115     -8.908858     10.746206
  H      -4.559925     -8.326037      9.072206
  N      -3.061291     -2.251388      4.283193
  N      -2.977634     -1.145573      4.594730
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639639152060
  N      -1.891303     -4.157356      2.252075
  C      -1.809963     -5.373917      1.448646
  C      -2.270306     -6.551531      2.292148
  N      -3.515850     -6.196394      3.017620
  C      -4.712444     -6.189065      2.136095
  C      -5.769108     -5.253345      2.703869
  N      -5.145787     -3.986569      3.101842
  Mo     -3.258025     -4.104367      3.708899
  N      -2.950344     -5.066992      5.414168
  C      -2.831852     -6.521183      5.359295
  C      -3.711207     -7.036495      4.227337
  H      -3.180585     -6.990098      6.294499
  H      -1.781619     -6.847240      5.221567
  H      -4.764048     -6.934060      4.524282
  H      -3.515956     -8.099084      3.995077
  H      -6.539506     -5.105679      1.927357
  H      -6.288436     -5.738572      3.555876
  H      -4.390521     -5.812477      1.155537
  H      -5.103930     -7.213769      2.001969
  H      -0.776971     -5.577364      1.114296
  H      -2.420965     -5.298605      0.525150
  H      -1.508505     -6.768607      3.053912
  H      -2.418214     -7.459743      1.680399
  C      -0.211692     -3.054469      0.737857
  C      -1.487542     -2.910650      1.570394
  C      -2.654107     -2.314924      0.759619
  C      -2.457694     -0.838044      0.368851
  C      -3.786098     -0.165518      0.145971
  C      -4.489856      0.378040      1.231525
  C      -5.762721      0.916274      1.066139
  C      -6.386351      0.929835     -0.193640
  C      -7.749471      1.477952     -0.362657
  C      -8.116328      2.170240     -1.530490
  C      -9.404144      2.682329     -1.686590
  C     -10.356641      2.514099     -0.678200
  C     -10.007370      1.828155      0.487863
  C      -8.719455      1.316301      0.643127
  C      -5.675336      0.396374     -1.282079
  C      -4.399580     -0.140509     -1.113269
  C      -6.854509     -2.518356      1.999477
  C      -6.087715     -2.868992      3.280269
  C      -7.059854     -3.116234      4.451485
  C      -6.341269     -3.272952      5.800979
  C      -7.135232     -4.019441      6.837318
  C      -7.441348     -5.377983      6.655651
  C      -8.182672     -6.086701      7.595368
  C      -8.654299     -5.466123      8.766594
  C      -9.485860     -6.207584      9.739285
  C      -9.300349     -7.584391      9.954407
  C     -10.097303     -8.284552     10.858336
  C     -11.101530     -7.624839     11.569391
  C     -11.299612     -6.257144     11.367147
  C     -10.501538     -5.557100     10.463441
  C      -8.326706     -4.114140      8.961067
  C      -7.585248     -3.407480      8.014030
  C      -1.258342     -4.459845      7.126801
  C      -2.738231     -4.431740      6.724286
  C      -3.699072     -4.952616      7.830459
  C      -3.148786     -5.971536      8.842998
  C      -4.189111     -6.348117      9.866116
  C      -4.572580     -5.439641     10.864091
  C      -5.541529     -5.769058     11.807081
  C      -6.166187     -7.028755     11.796599
  C      -7.171240     -7.387838     12.819122
  C      -7.267536     -8.702312     13.308871
  C      -8.211689     -9.039589     14.278068
  C      -9.081764     -8.068896     14.780865
  C      -8.999279     -6.759610     14.301021
  C      -8.055752     -6.423588     13.332217
  C      -5.790178     -7.933500     10.790126
  C      -4.824664     -7.595996      9.842484
  H       0.601034     -3.493784      1.334394
  H       0.119138     -2.065025      0.391979
  H      -0.371483     -3.681972     -0.151602
  H      -1.270374     -2.189937      2.375489
  H      -3.555381     -2.387941      1.388214
  H      -2.855306     -2.921318     -0.140072
  H      -1.825987     -0.750549     -0.528306
  H      -1.928341     -0.326992      1.190583
  H      -4.030434      0.373265      2.223640
  H      -6.277805      1.350424      1.925182
  H      -7.373345      2.329339     -2.314303
  H      -9.662990      3.224609     -2.598021
  H     -11.364095      2.915381     -0.800044
  H     -10.745437      1.682933      1.278999
  H      -8.464403      0.761627      1.548276
  H      -6.140454      0.378208     -2.269707
  H      -3.873849     -0.561536     -1.974246
  H      -7.585901     -3.293443      1.726137
  H      -6.163381     -2.371890      1.157584
  H      -7.410357     -1.580567      2.142995
  H      -5.466492     -1.997139      3.536545
  H      -7.652449     -4.021078      4.238425
  H      -7.782449     -2.285704      4.503076
  H      -6.055572     -2.282904      6.188676
  H      -5.399351     -3.818738      5.615951
  H      -7.095117     -5.887830      5.752121
  H      -8.427958     -7.133689      7.408011
  H      -8.496499     -8.103677      9.430662
  H      -9.919246     -9.348355     11.024667
  H     -11.718052     -8.170808     12.284995
  H     -12.085384     -5.731599     11.913348
  H     -10.683401     -4.494214     10.294180
  H      -8.644663     -3.611712      9.876559
  H      -7.342157     -2.357339      8.194534
  H      -0.656767     -3.989470      6.336657
  H      -1.093923     -3.905623      8.063143
  H      -0.891761     -5.486205      7.274378
  H      -3.001008     -3.375892      6.568234
  H      -4.058860     -4.082495      8.402271
  H      -4.596732     -5.370040      7.348848
  H      -2.275691     -5.538668      9.356499
  H      -2.792169     -6.881589      8.336617
  H      -4.089743     -4.460130     10.910567
  H      -5.795612     -5.052025     12.589846
  H      -6.575770     -9.462721     12.941546
  H      -8.261838    -10.064713     14.650317
  H      -9.821473     -8.332043     15.538905
  H      -9.687090     -5.997124     14.670997
  H      -8.025370     -5.406380     12.938585
  H      -6.275211     -8.910113     10.738710
  H      -4.555263     -8.318137      9.067307
  N      -3.064422     -2.248276      4.280152
  N      -2.980289     -1.141526      4.588420
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639649611637
  N      -1.898042     -4.158186      2.258108
  C      -1.814730     -5.378476      1.460747
  C      -2.278437     -6.552062      2.308002
  N      -3.525149     -6.192856      3.029072
  C      -4.719272     -6.184836      2.144368
  C      -5.776072     -5.247407      2.708576
  N      -5.152567     -3.980584      3.105475
  Mo     -3.265113     -4.098673      3.714102
  N      -2.966043     -5.056924      5.423776
  C      -2.849479     -6.511414      5.374099
  C      -3.725143     -7.029194      4.240395
  H      -3.202969     -6.977011      6.309173
  H      -1.799157     -6.839664      5.241887
  H      -4.779021     -6.925828      4.533188
  H      -3.529223     -8.092503      4.012148
  H      -6.545248     -5.100468      1.930685
  H      -6.297038     -5.730934      3.560583
  H      -4.394191     -5.808956      1.164563
  H      -5.111784     -7.209079      2.009596
  H      -0.780768     -5.583949      1.130718
  H      -2.422450     -5.307415      0.534730
  H      -1.518701     -6.766757      3.072581
  H      -2.425660     -7.462681      1.699647
  C      -0.214871     -3.063634      0.741872
  C      -1.491923     -2.914853      1.571611
  C      -2.656680     -2.321639      0.756494
  C      -2.456854     -0.847519      0.356808
  C      -3.783336     -0.172317      0.130677
  C      -4.490097      0.369128      1.215526
  C      -5.760942      0.910916      1.047090
  C      -6.379489      0.930469     -0.215201
  C      -7.740324      1.483343     -0.387729
  C      -8.099960      2.181924     -1.553987
  C      -9.385497      2.698886     -1.713116
  C     -10.342677      2.529274     -0.709446
  C     -10.000560      1.836994      0.455024
  C      -8.714970      1.320308      0.613365
  C      -5.665678      0.399039     -1.302668
  C      -4.391795     -0.141576     -1.130720
  C      -6.861785     -2.512667      2.003606
  C      -6.094653     -2.863459      3.284307
  C      -7.066834     -3.111408      4.455340
  C      -6.347545     -3.272786      5.803719
  C      -7.142436     -4.017527      6.840456
  C      -7.450194     -5.375850      6.659924
  C      -8.190221     -6.083501      7.601459
  C      -8.658908     -5.462152      8.773539
  C      -9.488040     -6.203003      9.748784
  C      -9.303140     -7.579908      9.963650
  C     -10.098462     -8.279436     10.869511
  C     -11.100496     -7.619027     11.582944
  C     -11.297736     -6.251164     11.381457
  C     -10.501259     -5.551767     10.475828
  C      -8.330315     -4.110199      8.966375
  C      -7.590175     -3.404597      8.017543
  C      -1.264052     -4.440755      7.124159
  C      -2.746366     -4.416310      6.730277
  C      -3.698599     -4.933990      7.845021
  C      -3.142001     -5.955631      8.851677
  C      -4.180211     -6.342664      9.872810
  C      -4.562568     -5.444927     10.880888
  C      -5.531387     -5.783948     11.820627
  C      -6.156758     -7.043100     11.796964
  C      -7.160538     -7.413055     12.816757
  C      -7.254528     -8.732175     13.294178
  C      -8.196457     -9.079800     14.261905
  C      -9.066718     -8.115029     14.775576
  C      -8.986603     -6.801162     14.307938
  C      -8.045385     -6.454855     13.340556
  C      -5.781886     -7.936999     10.780476
  C      -4.816760     -7.589776      9.835951
  H       0.595980     -3.502444      1.341334
  H       0.118402     -2.075928      0.393416
  H      -0.374109     -3.693765     -0.145847
  H      -1.275676     -2.190465      2.373680
  H      -3.558433     -2.389025      1.385034
  H      -2.858492     -2.932908     -0.139757
  H      -1.825635     -0.767104     -0.541323
  H      -1.925373     -0.333019      1.175081
  H      -4.034516      0.360026      2.209382
  H      -6.278606      1.343087      1.905569
  H      -7.353177      2.341996     -2.333973
  H      -9.638837      3.246085     -2.623157
  H     -11.348271      2.934461     -0.833701
  H     -10.742431      1.690699      1.242393
  H      -8.465143      0.760871      1.517030
  H      -6.127069      0.385514     -2.292119
  H      -3.863615     -0.560937     -1.991016
  H      -7.593633     -3.287513      1.730816
  H      -6.170829     -2.366827      1.161463
  H      -7.417078     -1.574510      2.147100
  H      -5.473770     -1.991458      3.540857
  H      -7.661246     -4.014698      4.240626
  H      -7.787796     -2.279577      4.508954
  H      -6.056847     -2.284534      6.192239
  H      -5.408473     -3.822680      5.616049
  H      -7.105843     -5.886578      5.756166
  H      -8.436642     -7.130373      7.415034
  H      -8.501079     -8.100082      9.438068
  H      -9.920827     -9.343407     11.035190
  H     -11.715838     -8.164562     12.299883
  H     -12.081345     -5.724622     11.929785
  H     -10.682727     -4.488734     10.307136
  H      -8.645743     -3.606906      9.882250
  H      -7.345954     -2.354556      8.197079
  H      -0.667819     -3.971130      6.329496
  H      -1.095457     -3.884047      8.058285
  H      -0.894520     -5.465986      7.272037
  H      -3.011896     -3.361456      6.571913
  H      -4.049512     -4.062789      8.420755
  H      -4.602455     -5.348041      7.372279
  H      -2.270663     -5.520975      9.366637
  H      -2.781611     -6.860960      8.339667
  H      -4.079036     -4.466281     10.937514
  H      -5.784331     -5.075158     12.611260
  H      -6.562498     -9.488463     12.918897
  H      -8.244684    -10.108503     14.624409
  H      -9.804611     -8.386155     15.532574
  H      -9.674457     -6.042878     14.686392
  H      -8.017232     -5.433780     12.956824
  H      -6.267249     -8.912818     10.718301
  H      -4.548670     -8.303823      9.052864
  N      -3.069887     -2.241132      4.277582
  N      -2.985558     -1.132210      4.578274
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639654252510
  N      -1.898769     -4.161603      2.258825
  C      -1.812728     -5.384835      1.466320
  C      -2.278738     -6.555577      2.316552
  N      -3.527137     -6.193860      3.033632
  C      -4.719168     -6.188475      2.146100
  C      -5.777483     -5.249888      2.705543
  N      -5.155151     -3.982117      3.100965
  Mo     -3.268375     -4.097549      3.712129
  N      -2.973514     -5.050044      5.425887
  C      -2.857483     -6.504753      5.381460
  C      -3.730154     -7.026209      4.247161
  H      -3.214110     -6.967120      6.316962
  H      -1.806944     -6.834004      5.253513
  H      -4.784830     -6.922061      4.536776
  H      -3.533528     -8.090256      4.022995
  H      -6.544883     -5.104727      1.925556
  H      -6.300501     -5.731586      3.557381
  H      -4.391821     -5.815018      1.166117
  H      -5.111069     -7.213170      2.013026
  H      -0.777688     -5.591264      1.140253
  H      -2.417504     -5.317672      0.538051
  H      -1.520748     -6.767894      3.083539
  H      -2.424817     -7.468175      1.710920
  C      -0.214353     -3.071864      0.740216
  C      -1.491453     -2.920269      1.569342
  C      -2.655614     -2.328290      0.752474
  C      -2.454303     -0.855571      0.348296
  C      -3.780263     -0.178024      0.126081
  C      -4.482087      0.365959      1.212908
  C      -5.752297      0.910361      1.048399
  C      -6.375168      0.930092     -0.211769
  C      -7.735368      1.485910     -0.380165
  C      -8.097428      2.183808     -1.546084
  C      -9.382287      2.703671     -1.701350
  C     -10.336298      2.537708     -0.694087
  C      -9.991738      1.846180      0.470121
  C      -8.706862      1.326609      0.624603
  C      -5.666388      0.395961     -1.301184
  C      -4.393050     -0.147248     -1.133187
  C      -6.864689     -2.516229      1.997145
  C      -6.098273     -2.865661      3.278672
  C      -7.070956     -3.113781      4.449287
  C      -6.351413     -3.277132      5.797336
  C      -7.146032     -4.021350      6.834622
  C      -7.454791     -5.379451      6.654289
  C      -8.193732     -6.086886      7.596827
  C      -8.660414     -5.465484      8.769673
  C      -9.488077     -6.206145      9.746244
  C      -9.301682     -7.582699      9.962069
  C     -10.095574     -8.282211     10.869194
  C     -11.097625     -7.622150     11.582918
  C     -11.296266     -6.254634     11.380547
  C     -10.501220     -5.555234     10.473671
  C      -8.331142     -4.113632      8.962119
  C      -7.591950     -3.408294      8.012372
  C      -1.270371     -4.423924      7.121870
  C      -2.753369     -4.404984      6.730184
  C      -3.701791     -4.921937      7.848333
  C      -3.140820     -5.940916      8.855447
  C      -4.178117     -6.332107      9.875835
  C      -4.562217     -5.437584     10.886069
  C      -5.531203     -5.780405     11.824303
  C      -6.154851     -7.040279     11.796800
  C      -7.158706     -7.414285     12.815054
  C      -7.250386     -8.734606     13.289569
  C      -8.192157     -9.086113     14.256077
  C      -9.064448     -8.124071     14.771392
  C      -8.986562     -6.809053     14.306647
  C      -8.045591     -6.458884     13.340391
  C      -5.778233     -7.931069     10.778256
  C      -4.812969     -7.580019      9.835272
  H       0.596517     -3.508889      1.340946
  H       0.118969     -2.085295      0.388591
  H      -0.373823     -3.704777     -0.145474
  H      -1.275084     -2.193911      2.369605
  H      -3.557310     -2.392997      1.381350
  H      -2.857992     -2.942183     -0.141864
  H      -1.826701     -0.778776     -0.552682
  H      -1.918198     -0.340138      1.162967
  H      -4.023094      0.356787      2.205210
  H      -6.266069      1.344448      1.908243
  H      -7.353012      2.341152     -2.328873
  H      -9.637525      3.250304     -2.611200
  H     -11.341346      2.945162     -0.815348
  H     -10.731176      1.702765      1.260305
  H      -8.455111      0.767827      1.528145
  H      -6.131369      0.382325     -2.288943
  H      -3.868807     -0.568621     -1.994899
  H      -7.595081     -3.292316      1.723955
  H      -6.173127     -2.369630      1.155643
  H      -7.421573     -1.578884      2.139720
  H      -5.478396     -1.992935      3.535272
  H      -7.666659     -4.016017      4.233721
  H      -7.790712     -2.280941      4.503567
  H      -6.058789     -2.289567      6.186155
  H      -5.413560     -3.828744      5.608662
  H      -7.112013     -5.890185      5.749939
  H      -8.441106     -7.133586      7.410622
  H      -8.499659     -8.102484      9.436003
  H      -9.916906     -9.345895     11.035589
  H     -11.711722     -8.167675     12.300925
  H     -12.079642     -5.728306     11.929420
  H     -10.683758     -4.492499     10.304235
  H      -8.645149     -3.610332      9.878483
  H      -7.347067     -2.358335      8.191487
  H      -0.676632     -3.954220      6.325380
  H      -1.102321     -3.864653      8.054577
  H      -0.897354     -5.447633      7.271503
  H      -3.022413     -3.351429      6.569028
  H      -4.052073     -4.050125      8.423519
  H      -4.606429     -5.338235      7.379088
  H      -2.271752     -5.502037      9.370621
  H      -2.776004     -6.844695      8.343888
  H      -4.080011     -4.458447     10.945543
  H      -5.785565     -5.074014     12.616632
  H      -6.556834     -9.488851     12.912973
  H      -8.238589    -10.115707     14.616285
  H      -9.802183     -8.398184     15.527470
  H      -9.675968     -6.052831     14.686411
  H      -8.019153     -5.436893     12.958953
  H      -6.262284     -8.907348     10.713270
  H      -4.543489     -8.291690      9.050503
  N      -3.074103     -2.238437      4.269371
  N      -2.990810     -1.128146      4.565457
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639660661294
  N      -1.899056     -4.159919      2.261805
  C      -1.810084     -5.384213      1.471631
  C      -2.277507     -6.554070      2.322138
  N      -3.527053     -6.191547      3.036721
  C      -4.717244     -6.186748      2.146764
  C      -5.776449     -5.248011      2.703890
  N      -5.155001     -3.980399      3.100855
  Mo     -3.268730     -4.095060      3.714931
  N      -2.977805     -5.046659      5.430240
  C      -2.862080     -6.501438      5.386352
  C      -3.732442     -7.023139      4.250317
  H      -3.221612     -6.963488      6.320802
  H      -1.811406     -6.831423      5.261269
  H      -4.787706     -6.918792      4.537872
  H      -3.535452     -8.087282      4.026977
  H      -6.542208     -5.102555      1.922353
  H      -6.301309     -5.729759      3.554632
  H      -4.387986     -5.813862      1.167194
  H      -5.108802     -7.211561      2.013602
  H      -0.774058     -5.590371      1.148529
  H      -2.412456     -5.319062      0.541607
  H      -1.520866     -6.766069      3.090566
  H      -2.422846     -7.466970      1.716817
  C      -0.214840     -3.071280      0.742537
  C      -1.492815     -2.919268      1.570215
  C      -2.656839     -2.330466      0.750766
  C      -2.455098     -0.859466      0.340356
  C      -3.780792     -0.180960      0.119054
  C      -4.482027      0.362136      1.206720
  C      -5.751661      0.908065      1.043160
  C      -6.374607      0.930320     -0.216932
  C      -7.734208      1.487915     -0.384559
  C      -8.095436      2.186977     -1.550075
  C      -9.379637      2.708624     -1.704973
  C     -10.333745      2.543427     -0.697698
  C      -9.989974      1.850872      0.466164
  C      -8.705804      1.329493      0.620232
  C      -5.666478      0.396985     -1.307174
  C      -4.393598     -0.147679     -1.140130
  C      -6.864630     -2.514584      1.996231
  C      -6.099487     -2.865297      3.278261
  C      -7.073244     -3.115609      4.447429
  C      -6.353634     -3.284082      5.794456
  C      -7.149143     -4.027067      6.832008
  C      -7.463357     -5.383721      6.650368
  C      -8.202381     -6.089896      7.593868
  C      -8.663456     -5.468620      8.768998
  C      -9.490361     -6.207701      9.747383
  C      -9.306292     -7.584769      9.961916
  C     -10.099159     -8.283040     10.870878
  C     -11.097750     -7.621187     11.587738
  C     -11.294051     -6.253150     11.386607
  C     -10.500063     -5.554935     10.477888
  C      -8.329081     -4.118149      8.962461
  C      -7.589969     -3.414090      8.011785
  C      -1.273370     -4.414844      7.123374
  C      -2.756988     -4.400393      6.733858
  C      -3.701089     -4.918014      7.855099
  C      -3.138286     -5.941562      8.857015
  C      -4.174062     -6.334012      9.878534
  C      -4.552110     -5.443211     10.894262
  C      -5.521488     -5.786444     11.832007
  C      -6.150980     -7.043152     11.798432
  C      -7.155889     -7.417548     12.815577
  C      -7.249546     -8.738653     13.287529
  C      -8.191919     -9.090419     14.253425
  C      -9.062633     -8.127797     14.770373
  C      -8.982824     -6.812130     14.307941
  C      -8.041208     -6.461635     13.342348
  C      -5.779784     -7.930727     10.775121
  C      -4.814404     -7.578971      9.832455
  H       0.596017     -3.506296      1.344727
  H       0.117711     -2.085075      0.389170
  H      -0.373108     -3.706122     -0.141992
  H      -1.278247     -2.190846      2.369086
  H      -3.558604     -2.392900      1.379764
  H      -2.858716     -2.948196     -0.141035
  H      -1.830131     -0.787096     -0.562787
  H      -1.915839     -0.341256      1.151212
  H      -4.022912      0.351164      2.198953
  H      -6.264939      1.341451      1.903655
  H      -7.350878      2.343823     -2.332813
  H      -9.634253      3.256030     -2.614530
  H     -11.338263      2.952286     -0.818651
  H     -10.729505      1.708191      1.256398
  H      -8.454648      0.769970      1.523492
  H      -6.131572      0.385226     -2.294900
  H      -3.869786     -0.568138     -2.002539
  H      -7.593772     -3.291198      1.721101
  H      -6.172252     -2.366016      1.155787
  H      -7.422852     -1.578127      2.139314
  H      -5.480703     -1.992281      3.536692
  H      -7.670977     -4.015848      4.229157
  H      -7.790958     -2.281104      4.503744
  H      -6.057032     -2.298205      6.184569
  H      -5.418198     -3.839177      5.603591
  H      -7.124547     -5.894306      5.744426
  H      -8.454252     -7.135388      7.406816
  H      -8.506924     -8.105753      9.433035
  H      -9.922587     -9.347255     11.036166
  H     -11.711000     -8.165844     12.307129
  H     -12.074750     -5.725574     11.938079
  H     -10.680832     -4.491751     10.309339
  H      -8.638862     -3.615208      9.880473
  H      -7.340911     -2.365208      8.191474
  H      -0.681882     -3.942545      6.326743
  H      -1.106242     -3.856015      8.056544
  H      -0.896906     -5.437476      7.271661
  H      -3.029612     -3.347733      6.572210
  H      -4.044875     -4.046654      8.434837
  H      -4.609549     -5.330031      7.389533
  H      -2.267171     -5.505558      9.371114
  H      -2.776295     -6.844405      8.341973
  H      -4.065198     -4.466684     10.958328
  H      -5.771597     -5.083096     12.628414
  H      -6.557145     -9.493218     12.909431
  H      -8.239956    -10.120591     14.611750
  H      -9.800891     -8.402065     15.525891
  H      -9.671011     -6.055508     14.689125
  H      -8.012817     -5.438986     12.962744
  H      -6.268323     -8.904520     10.706463
  H      -4.549205     -8.287739      9.043610
  N      -3.075517     -2.235618      4.270270
  N      -2.994112     -1.124218      4.562811
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639665855581
  N      -1.897223     -4.159193      2.261033
  C      -1.806541     -5.383489      1.471098
  C      -2.273766     -6.553744      2.321233
  N      -3.523973     -6.191885      3.035173
  C      -4.713726     -6.189180      2.144648
  C      -5.774060     -5.250884      2.700455
  N      -5.153782     -3.982866      3.097955
  Mo     -3.267723     -4.095336      3.713403
  N      -2.975761     -5.045948      5.429255
  C      -2.859081     -6.500667      5.385163
  C      -3.729199     -7.022982      4.249220
  H      -3.218653     -6.963016      6.319435
  H      -1.808236     -6.830157      5.260245
  H      -4.784430     -6.918344      4.536905
  H      -3.532329     -8.087214      4.026187
  H      -6.538870     -5.105827      1.917911
  H      -6.299770     -5.732688      3.550650
  H      -4.384423     -5.817351      1.164690
  H      -5.104201     -7.214564      2.012748
  H      -0.770036     -5.588791      1.148956
  H      -2.408147     -5.318923      0.540528
  H      -1.517457     -6.765812      3.089954
  H      -2.418563     -7.466431      1.715472
  C      -0.212981     -3.068950      0.742932
  C      -1.491722     -2.918073      1.569698
  C      -2.655542     -2.330377      0.749117
  C      -2.454507     -0.859263      0.338754
  C      -3.780604     -0.180666      0.119764
  C      -4.480555      0.361406      1.208682
  C      -5.750475      0.907329      1.047163
  C      -6.375032      0.930703     -0.212073
  C      -7.735011      1.487962     -0.377480
  C      -8.098164      2.186886     -1.542559
  C      -9.382680      2.708231     -1.695697
  C     -10.335318      2.542939     -0.687024
  C      -9.989648      1.850627      0.476415
  C      -8.705145      1.329538      0.628677
  C      -5.668077      0.398420     -1.303677
  C      -4.394961     -0.146244     -1.138703
  C      -6.864326     -2.517966      1.993365
  C      -6.099654     -2.868890      3.275556
  C      -7.073549     -3.120733      4.444311
  C      -6.353366     -3.291698      5.790607
  C      -7.149417     -4.033232      6.828855
  C      -7.466875     -5.389085      6.647095
  C      -8.206520     -6.093909      7.591176
  C      -8.664740     -5.471897      8.766960
  C      -9.491964     -6.209276      9.746328
  C      -9.309121     -7.586461      9.961253
  C     -10.101825     -8.283371     10.871384
  C     -11.098892     -7.619954     11.588939
  C     -11.293955     -6.251776     11.387255
  C     -10.500153     -5.554873     10.477357
  C      -8.327155     -4.122207      8.960571
  C      -7.587582     -3.419510      8.009280
  C      -1.275381     -4.409778      7.124753
  C      -2.758508     -4.399627      6.733306
  C      -3.702204     -4.919845      7.853540
  C      -3.139141     -5.944355      8.854394
  C      -4.174462     -6.335079      9.877179
  C      -4.549428     -5.443589     10.893401
  C      -5.518941     -5.784722     11.831837
  C      -6.151311     -7.039919     11.798169
  C      -7.156951     -7.412063     12.815562
  C      -7.252067     -8.732605     13.288846
  C      -8.195350     -9.082251     14.254647
  C      -9.065253     -8.117973     14.769940
  C      -8.983967     -6.802946     14.306080
  C      -8.041431     -6.454497     13.340574
  C      -5.782871     -7.928476     10.774675
  C      -4.817437     -7.578680      9.831340
  H       0.598086     -3.502679      1.345755
  H       0.118495     -2.082485      0.389239
  H      -0.370070     -3.704374     -0.141386
  H      -1.278425     -2.189525      2.368776
  H      -3.557805     -2.393707      1.377282
  H      -2.855710     -2.948595     -0.142714
  H      -1.831058     -0.786587     -0.565398
  H      -1.913954     -0.341082      1.148761
  H      -4.020333      0.349425      2.200407
  H      -6.262629      1.339887      1.908746
  H      -7.354773      2.343992     -2.326347
  H      -9.638701      3.255454     -2.604972
  H     -11.340125      2.951505     -0.806551
  H     -10.727963      1.707924      1.267779
  H      -8.452769      0.770112      1.531667
  H      -6.134345      0.387329     -2.290854
  H      -3.872224     -0.565792     -2.002206
  H      -7.591751     -3.295677      1.716688
  H      -6.171535     -2.367138      1.153692
  H      -7.424562     -1.582800      2.136981
  H      -5.481804     -1.995404      3.534786
  H      -7.672392     -4.019924      4.224819
  H      -7.790186     -2.285385      4.502084
  H      -6.054350     -2.306603      6.180882
  H      -5.419478     -3.849001      5.598662
  H      -7.129962     -5.899973      5.740607
  H      -8.460955     -7.138817      7.404240
  H      -8.510790     -8.108264      9.431614
  H      -9.926407     -9.347699     11.037206
  H     -11.711948     -8.163585     12.309273
  H     -12.073686     -5.723333     11.939280
  H     -10.679748     -4.491531     10.308449
  H      -8.634947     -3.619086      9.879178
  H      -7.335806     -2.371264      8.188907
  H      -0.684043     -3.935133      6.329430
  H      -1.111384     -3.851264      8.058694
  H      -0.896202     -5.431463      7.272812
  H      -3.034355     -3.347776      6.571561
  H      -4.046062     -4.049549      8.434817
  H      -4.610455     -5.331568      7.387243
  H      -2.266809     -5.509460      9.367365
  H      -2.778810     -6.847904      8.339424
  H      -4.060168     -4.468230     10.957378
  H      -5.767144     -5.081161     12.628654
  H      -6.560184     -9.488059     12.911580
  H      -8.244669    -10.111935     14.614180
  H      -9.804277     -8.390609     15.525316
  H      -9.671653     -6.045284     14.686095
  H      -8.011365     -5.432442     12.959494
  H      -6.273849     -8.901104     10.707092
  H      -4.554122     -8.287730      9.042114
  N      -3.076502     -2.235538      4.268712
  N      -2.996918     -1.123840      4.560568
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639672144557
  N      -1.893893     -4.157594      2.259672
  C      -1.802212     -5.381240      1.468812
  C      -2.268459     -6.552561      2.318000
  N      -3.518898     -6.191998      3.032275
  C      -4.708935     -6.191466      2.142173
  C      -5.770168     -5.253816      2.697548
  N      -5.150838     -3.985422      3.095547
  Mo     -3.264789     -4.095827      3.711750
  N      -2.969812     -5.046378      5.427279
  C      -2.851441     -6.500907      5.381636
  C      -3.722837     -7.023102      4.246665
  H      -3.209271     -6.964563      6.315872
  H      -1.800439     -6.829201      5.254948
  H      -4.777568     -6.917606      4.535982
  H      -3.526927     -8.087429      4.023196
  H      -6.534344     -5.108988      1.914334
  H      -6.296284     -5.735806      3.547361
  H      -4.380463     -5.820636      1.161566
  H      -5.098311     -7.217463      2.011843
  H      -0.765513     -5.585373      1.146525
  H      -2.403930     -5.316351      0.538351
  H      -1.512002     -6.765261      3.086356
  H      -2.412978     -7.464582      1.711157
  C      -0.210320     -3.064354      0.743171
  C      -1.489977     -2.915576      1.568979
  C      -2.653874     -2.329474      0.747272
  C      -2.454519     -0.857763      0.338090
  C      -3.781382     -0.179798      0.121371
  C      -4.480538      0.360666      1.211494
  C      -5.751047      0.905870      1.051849
  C      -6.377083      0.930188     -0.206594
  C      -7.737599      1.486561     -0.369864
  C      -8.102950      2.185359     -1.534419
  C      -9.387950      2.705908     -1.685802
  C     -10.339122      2.540026     -0.675792
  C      -9.991319      1.847912      0.487101
  C      -8.706270      1.327580      0.637550
  C      -5.670795      0.399494     -1.299499
  C      -4.397162     -0.144410     -1.136459
  C      -6.862280     -2.520794      1.991849
  C      -6.098091     -2.872575      3.273966
  C      -7.072171     -3.126496      4.442255
  C      -6.351413     -3.301718      5.787587
  C      -7.149602     -4.040175      6.826431
  C      -7.470989     -5.395154      6.645311
  C      -8.212091     -6.097580      7.590088
  C      -8.667664     -5.473707      8.765828
  C      -9.495704     -6.208521      9.746493
  C      -9.314669     -7.585783      9.962665
  C     -10.107781     -8.280516     10.874071
  C     -11.103301     -7.614690     11.591578
  C     -11.296461     -6.246387     11.388598
  C     -10.502255     -5.551606     10.477407
  C      -8.326417     -4.124784      8.958737
  C      -7.585490     -3.424523      8.006716
  C      -1.275916     -4.405999      7.127265
  C      -2.758100     -4.400635      6.732359
  C      -3.702528     -4.924515      7.850155
  C      -3.140075     -5.949856      8.850388
  C      -4.175415     -6.338203      9.874253
  C      -4.547390     -5.445295     10.890289
  C      -5.517145     -5.783642     11.829543
  C      -6.152487     -7.037329     11.796529
  C      -7.158760     -7.406600     12.814511
  C      -7.255941     -8.726446     13.289352
  C      -8.200009     -9.073254     14.255400
  C      -9.068392     -8.106755     14.769154
  C      -8.985012     -6.792452     14.303716
  C      -8.041654     -6.446744     13.337995
  C      -5.786867     -7.927431     10.773272
  C      -4.821210     -7.580340      9.829232
  H       0.601112     -3.496531      1.346605
  H       0.119576     -2.077344      0.389486
  H      -0.365785     -3.700156     -0.141156
  H      -1.278330     -2.187071      2.368511
  H      -3.556853     -2.394750      1.374182
  H      -2.851460     -2.947737     -0.145070
  H      -1.832262     -0.783520     -0.566733
  H      -1.913480     -0.339816      1.147915
  H      -4.019372      0.347951      2.202768
  H      -6.262315      1.337262      1.914549
  H      -7.360780      2.343054     -2.319249
  H      -9.645523      3.252948     -2.594750
  H     -11.344371      2.947926     -0.793849
  H     -10.728371      1.704755      1.279559
  H      -8.452620      0.768267      1.540255
  H      -6.137958      0.389018     -2.286263
  H      -3.875150     -0.562606     -2.001058
  H      -7.587758     -3.299501      1.712825
  H      -6.168973     -2.366851      1.153178
  H      -7.424796     -1.587177      2.136729
  H      -5.481106     -1.998848      3.534463
  H      -7.672505     -4.024213      4.220796
  H      -7.787365     -2.290075      4.502396
  H      -6.047579     -2.318147      6.178023
  H      -5.420464     -3.863349      5.594084
  H      -7.135513     -5.907092      5.738868
  H      -8.469270     -7.141975      7.404046
  H      -8.517324     -8.108965      9.432901
  H      -9.933930     -9.344899     11.041194
  H     -11.716718     -8.156641     12.312877
  H     -12.075353     -5.716558     11.940480
  H     -10.680100     -4.488114     10.307567
  H      -8.632346     -3.620787      9.877499
  H      -7.330182     -2.377055      8.185892
  H      -0.684188     -3.928675      6.333881
  H      -1.116046     -3.847964      8.062234
  H      -0.894013     -5.426720      7.275176
  H      -3.037540     -3.349634      6.570944
  H      -4.047875     -4.055783      8.432897
  H      -4.609693     -5.336212      7.381686
  H      -2.266481     -5.516419      9.362461
  H      -2.781623     -6.854449      8.335888
  H      -4.055722     -4.471107     10.953537
  H      -5.763613     -5.079488     12.626366
  H      -6.564952     -9.483073     12.912811
  H      -8.251133    -10.102338     14.616383
  H      -9.808074     -8.377248     15.524670
  H      -9.671705     -6.033382     14.682693
  H      -8.009309     -5.425425     12.955146
  H      -6.280594     -8.898774     10.707358
  H      -4.559839     -8.289938      9.039858
  N      -3.076019     -2.235723      4.268461
  N      -2.998607     -1.123960      4.560447
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639677923925
  N      -1.890452     -4.155984      2.258142
  C      -1.798407     -5.379168      1.466437
  C      -2.263006     -6.551355      2.315312
  N      -3.513348     -6.192159      3.030440
  C      -4.704190     -6.193964      2.141475
  C      -5.766161     -5.257053      2.696904
  N      -5.147709     -3.987962      3.094212
  Mo     -3.261401     -4.096009      3.710188
  N      -2.962734     -5.046051      5.425459
  C      -2.841999     -6.500312      5.378776
  C      -3.715288     -7.022908      4.245533
  H      -3.196914     -6.965240      6.313450
  H      -1.790761     -6.826819      5.249493
  H      -4.769330     -6.916430      4.537063
  H      -3.520390     -8.087424      4.022004
  H      -6.530445     -5.113067      1.913623
  H      -6.291746     -5.738953      3.547056
  H      -4.377136     -5.823962      1.160086
  H      -5.092457     -7.220590      2.012816
  H      -0.761768     -5.582183      1.143250
  H      -2.400956     -5.314096      0.536557
  H      -1.505938     -6.764112      3.082998
  H      -2.407207     -7.463057      1.707891
  C      -0.207679     -3.060123      0.742790
  C      -1.488202     -2.913321      1.567694
  C      -2.652302     -2.328988      0.744954
  C      -2.454724     -0.856687      0.336812
  C      -3.782285     -0.179432      0.121933
  C      -4.480983      0.359384      1.213123
  C      -5.752027      0.903843      1.054973
  C      -6.379143      0.929166     -0.202898
  C      -7.740107      1.484781     -0.364350
  C      -8.107210      2.184265     -1.527984
  C      -9.392626      2.704169     -1.677654
  C     -10.342692      2.536964     -0.666769
  C      -9.993209      1.844145      0.495166
  C      -8.707668      1.324442      0.643882
  C      -5.673211      0.400169     -1.296898
  C      -4.399115     -0.143039     -1.135390
  C      -6.860465     -2.524054      1.991847
  C      -6.096232     -2.876217      3.273712
  C      -7.070229     -3.132193      4.441795
  C      -6.348669     -3.312803      5.785921
  C      -7.150120     -4.046590      6.825519
  C      -7.475510     -5.400832      6.646222
  C      -8.218773     -6.099768      7.591892
  C      -8.672425     -5.472776      8.766668
  C      -9.501767     -6.204223      9.748839
  C      -9.323385     -7.581521      9.967124
  C     -10.117674     -8.273216     10.879774
  C     -11.111629     -7.604118     11.596450
  C     -11.301991     -6.235701     11.391502
  C     -10.506608     -5.543945     10.479011
  C      -8.327637     -4.124438      8.957579
  C      -7.584576     -3.427695      8.004621
  C      -1.275418     -4.400874      7.129668
  C      -2.756620     -4.400145      6.731205
  C      -3.702060     -4.927166      7.846576
  C      -3.140146     -5.952663      8.846776
  C      -4.175856     -6.340226      9.870682
  C      -4.546196     -5.447055     10.887070
  C      -5.516233     -5.784264     11.826454
  C      -6.153433     -7.037029     11.793009
  C      -7.159754     -7.405371     12.811359
  C      -7.258374     -8.725240     13.285835
  C      -8.202496     -9.071035     14.252158
  C      -9.069422     -8.103510     14.766425
  C      -8.984644     -6.789163     14.301348
  C      -8.041214     -6.444412     13.335391
  C      -5.789507     -7.927281     10.769191
  C      -4.823544     -7.581335      9.825139
  H       0.603964     -3.491028      1.346842
  H       0.120919     -2.072606      0.389284
  H      -0.361580     -3.696136     -0.141651
  H      -1.278132     -2.184605      2.367433
  H      -3.555926     -2.395984      1.370729
  H      -2.847547     -2.947267     -0.147855
  H      -1.833381     -0.780864     -0.568491
  H      -1.913508     -0.338930      1.146642
  H      -4.019193      0.345993      2.204090
  H      -6.262713      1.333918      1.918680
  H      -7.365990      2.343002     -2.313507
  H      -9.651416      3.251731     -2.585941
  H     -11.348315      2.944341     -0.783405
  H     -10.729296      1.699876      1.288319
  H      -8.453044      0.764573      1.545965
  H      -6.140958      0.390395     -2.283399
  H      -3.877574     -0.559935     -2.000904
  H      -7.584095     -3.303779      1.710896
  H      -6.166885     -2.367236      1.153938
  H      -7.425140     -1.591906      2.137997
  H      -5.480119     -2.002206      3.535223
  H      -7.672187     -4.028312      4.218141
  H      -7.783910     -2.294705      4.504926
  H      -6.037516     -2.331434      6.176147
  H      -5.422076     -3.880807      5.590292
  H      -7.140995     -5.914763      5.740536
  H      -8.478677     -7.143783      7.407584
  H      -8.527095     -8.106936      9.437976
  H      -9.945922     -9.337640     11.048754
  H     -11.726070     -8.143674     12.318679
  H     -12.079863     -5.703644     11.942677
  H     -10.682087     -4.480303     10.307678
  H      -8.632261     -3.618477      9.875695
  H      -7.325837     -2.380850      8.182513
  H      -0.683303     -3.921697      6.337724
  H      -1.119339     -3.842597      8.065143
  H      -0.891127     -5.420641      7.278158
  H      -3.039400     -3.350043      6.569660
  H      -4.049582     -4.059776      8.430079
  H      -4.607898     -5.339341      7.375926
  H      -2.266312     -5.519756      9.358897
  H      -2.782097     -6.857680      8.332681
  H      -4.052980     -4.473662     10.950492
  H      -5.761750     -5.080400     12.623811
  H      -6.568212     -9.482284     12.908631
  H      -8.254888    -10.100092     14.613039
  H      -9.809151     -8.373292     15.522155
  H      -9.670395     -6.029502     14.680829
  H      -8.007394     -5.423214     12.952365
  H      -6.285111     -8.897685     10.703511
  H      -4.563359     -8.290592      9.035068
  N      -3.075323     -2.235272      4.267576
  N      -3.000163     -1.123311      4.559163
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639686032695
  N      -1.884627     -4.153864      2.255552
  C      -1.792993     -5.376504      1.462705
  C      -2.254701     -6.549645      2.311719
  N      -3.504394     -6.192254      3.028753
  C      -4.696828     -6.196777      2.141981
  C      -5.759358     -5.260970      2.698351
  N      -5.141906     -3.990770      3.093719
  Mo     -3.254919     -4.095860      3.708258
  N      -2.951110     -5.045346      5.422919
  C      -2.826766     -6.499204      5.375241
  C      -3.703024     -7.022595      4.244777
  H      -3.176826     -6.965816      6.310834
  H      -1.775179     -6.822872      5.241782
  H      -4.756038     -6.914968      4.539647
  H      -3.509320     -8.087340      4.021193
  H      -6.524850     -5.118557      1.915937
  H      -6.283018     -5.742655      3.549772
  H      -4.372142     -5.827288      1.159616
  H      -5.083779     -7.224126      2.015160
  H      -0.756788     -5.578172      1.137314
  H      -2.397556     -5.311203      0.534195
  H      -1.496211     -6.761941      3.078073
  H      -2.398608     -7.461231      1.704030
  C      -0.204299     -3.054973      0.739908
  C      -1.485234     -2.910603      1.564690
  C      -2.650380     -2.328870      0.741551
  C      -2.455565     -0.855965      0.333853
  C      -3.784209     -0.179962      0.121709
  C      -4.481247      0.358145      1.214335
  C      -5.753104      0.901463      1.058680
  C      -6.382821      0.926398     -0.197907
  C      -7.744458      1.481060     -0.356448
  C      -8.114712      2.180435     -1.519137
  C      -9.400770      2.699489     -1.665880
  C     -10.348513      2.531497     -0.652909
  C      -9.995946      1.838689      0.508071
  C      -8.709689      1.319824      0.653870
  C      -5.678536      0.398134     -1.293304
  C      -4.403650     -0.143974     -1.134330
  C      -6.856173     -2.527722      1.992978
  C      -6.091931     -2.880434      3.274587
  C      -7.066167     -3.139291      4.442063
  C      -6.343921     -3.328775      5.784490
  C      -7.151161     -4.054768      6.824958
  C      -7.482309     -5.408032      6.648942
  C      -8.229359     -6.101236      7.595786
  C      -8.681129     -5.469033      8.768497
  C      -9.512683     -6.195298      9.752752
  C      -9.338684     -7.572614      9.974564
  C     -10.135306     -8.259524     10.888737
  C     -11.127138     -7.585360     11.603645
  C     -11.312892     -6.216799     11.395573
  C     -10.515194     -5.529858     10.481438
  C      -8.331481     -4.121427      8.955709
  C      -7.584532     -3.430441      8.001536
  C      -1.272689     -4.394589      7.133137
  C      -2.752423     -4.398810      6.729362
  C      -3.700197     -4.928944      7.841253
  C      -3.139339     -5.953239      8.843094
  C      -4.176367     -6.340982      9.865629
  C      -4.546421     -5.448342     10.882598
  C      -5.517040     -5.785566     11.821319
  C      -6.155437     -7.037770     11.786478
  C      -7.161462     -7.406534     12.804913
  C      -7.261466     -8.727014     13.277352
  C      -8.205049     -9.073039     14.244071
  C      -9.070100     -8.105201     14.760804
  C      -8.984015     -6.790155     14.297799
  C      -8.041150     -6.445171     13.331491
  C      -5.792251     -7.927075     10.761497
  C      -4.825480     -7.581280      9.818310
  H       0.607988     -3.484365      1.344165
  H       0.122524     -2.066865      0.386401
  H      -0.356906     -3.691253     -0.144556
  H      -1.276613     -2.181243      2.364216
  H      -3.554204     -2.397653      1.366816
  H      -2.843778     -2.947412     -0.151438
  H      -1.835874     -0.778580     -0.572434
  H      -1.913722     -0.338038      1.143159
  H      -4.017647      0.345267      2.204443
  H      -6.262256      1.330905      1.923612
  H      -7.375385      2.339639     -2.306358
  H      -9.661902      3.247007     -2.573523
  H     -11.354665      2.938224     -0.767191
  H     -10.730121      1.693661      1.302857
  H      -8.452924      0.760048      1.555390
  H      -6.148046      0.388078     -2.278973
  H      -3.883539     -0.560376     -2.000947
  H      -7.577530     -3.308618      1.709547
  H      -6.162167     -2.367316      1.156100
  H      -7.423387     -1.597328      2.140739
  H      -5.476997     -2.006133      3.537680
  H      -7.670531     -4.032942      4.214748
  H      -7.777591     -2.300247      4.509676
  H      -6.020188     -2.351325      6.174308
  H      -5.424808     -3.907592      5.585481
  H      -7.148653     -5.925536      5.744964
  H      -8.493134     -7.144761      7.414349
  H      -8.543911     -8.101857      9.446924
  H      -9.966899     -9.324026     11.060492
  H     -11.743583     -8.121122     12.327002
  H     -12.089109     -5.680923     11.945373
  H     -10.687045     -4.466041     10.307591
  H      -8.634765     -3.611825      9.872247
  H      -7.321179     -2.384351      8.177096
  H      -0.679505     -3.914105      6.342807
  H      -1.121250     -3.835396      8.068817
  H      -0.886189     -5.413308      7.283201
  H      -3.038499     -3.349728      6.567055
  H      -4.051972     -4.062754      8.424079
  H      -4.603550     -5.342883      7.367332
  H      -2.266684     -5.519531      9.356527
  H      -2.779786     -6.858373      8.330201
  H      -4.052188     -4.475530     10.947022
  H      -5.762284     -5.082599     12.619537
  H      -6.572444     -9.484131     12.898212
  H      -8.258646    -10.102562     14.603459
  H      -9.809345     -8.375232     15.516912
  H      -9.668470     -6.030328     14.679264
  H      -8.006189     -5.423519     12.949790
  H      -6.289161     -8.896755     10.694658
  H      -4.565729     -8.289613      9.027273
  N      -3.072305     -2.234163      4.266061
  N      -2.999980     -1.121892      4.556899
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639694476338
  N      -1.877723     -4.151318      2.251908
  C      -1.787028     -5.373318      1.457778
  C      -2.244680     -6.547434      2.307411
  N      -3.493206     -6.192341      3.027424
  C      -4.687843     -6.199420      2.143613
  C      -5.750688     -5.265344      2.702199
  N      -5.134552     -3.993623      3.094402
  Mo     -3.246448     -4.095213      3.706198
  N      -2.937295     -5.044339      5.419907
  C      -2.808418     -6.497745      5.371702
  C      -3.687368     -7.022731      4.244146
  H      -3.153055     -6.965964      6.308441
  H      -1.756313     -6.817842      5.233915
  H      -4.739442     -6.915350      4.542440
  H      -3.493567     -8.087431      4.020350
  H      -6.518983     -5.125343      1.922065
  H      -6.270530     -5.746994      3.555989
  H      -4.366241     -5.829479      1.160404
  H      -5.073247     -7.227496      2.018008
  H      -0.751578     -5.573436      1.129074
  H      -2.394574     -5.307927      0.531261
  H      -1.483955     -6.758483      3.071871
  H      -2.388237     -7.459226      1.699946
  C      -0.200915     -3.049378      0.734666
  C      -1.481532     -2.907468      1.560435
  C      -2.648434     -2.328029      0.738200
  C      -2.456698     -0.854610      0.330533
  C      -3.786627     -0.180322      0.121183
  C      -4.481595      0.357689      1.215270
  C      -5.754441      0.899448      1.062421
  C      -6.387301      0.922917     -0.192648
  C      -7.749900      1.476154     -0.348075
  C      -8.123777      2.175042     -1.509825
  C      -9.410754      2.692718     -1.653352
  C     -10.355790      2.523705     -0.638034
  C      -9.999614      1.831251      0.522053
  C      -8.712420      1.313785      0.664688
  C      -5.685179      0.394808     -1.289424
  C      -4.409273     -0.145824     -1.133246
  C      -6.850593     -2.532028      1.995026
  C      -6.086300     -2.885064      3.276512
  C      -7.061076     -3.147290      4.442955
  C      -6.338521     -3.346880      5.783581
  C      -7.152459     -4.063561      6.825136
  C      -7.490823     -5.415559      6.653070
  C      -8.242563     -6.101645      7.601272
  C      -8.692036     -5.463228      8.771575
  C      -9.526570     -6.183070      9.758044
  C      -9.358877     -7.560555      9.983667
  C     -10.158814     -8.241495     10.899367
  C     -11.147614     -7.560947     11.612432
  C     -11.326838     -6.192048     11.401092
  C     -10.525888     -5.511170     10.485258
  C      -8.336176     -4.116674      8.954300
  C      -7.584403     -3.432789      7.998718
  C      -1.268009     -4.389357      7.136959
  C      -2.746059     -4.397200      6.727060
  C      -3.697303     -4.929757      7.834933
  C      -3.137952     -5.951901      8.839721
  C      -4.176952     -6.340526      9.859807
  C      -4.547583     -5.449299     10.877851
  C      -5.518972     -5.787570     11.815284
  C      -6.158167     -7.039399     11.778124
  C      -7.163549     -7.409766     12.796423
  C      -7.264827     -8.731396     13.265294
  C      -8.207321     -9.078902     14.232515
  C      -9.070192     -8.111483     14.753524
  C      -8.982947     -6.795176     14.294102
  C      -8.041231     -6.448781     13.327319
  C      -5.795156     -7.926701     10.751337
  C      -4.827287     -7.580092      9.809589
  H       0.612262     -3.478013      1.338266
  H       0.124346     -2.060615      0.381568
  H      -0.353106     -3.685327     -0.150104
  H      -1.273698     -2.177482      2.359602
  H      -3.551691     -2.398312      1.364088
  H      -2.841488     -2.946699     -0.154753
  H      -1.838799     -0.775985     -0.576868
  H      -1.914112     -0.336270      1.139072
  H      -4.015671      0.346043      2.204285
  H      -6.261910      1.328664      1.928451
  H      -7.386569      2.334807     -2.298922
  H      -9.674730      3.239977     -2.560327
  H     -11.362646      2.929387     -0.749808
  H     -10.731648      1.685295      1.318645
  H      -8.452823      0.754363      1.565598
  H      -6.157057      0.383700     -2.273954
  H      -3.890861     -0.562263     -2.000865
  H      -7.569685     -3.314198      1.709482
  H      -6.156213     -2.368308      1.159106
  H      -7.420209     -1.603288      2.144117
  H      -5.472906     -2.010272      3.541355
  H      -7.667900     -4.038249      4.211316
  H      -7.770182     -2.306703      4.515385
  H      -5.999889     -2.374206      6.172660
  H      -5.428294     -3.938281      5.580802
  H      -7.158627     -5.937613      5.751176
  H      -8.511445     -7.144404      7.423022
  H      -8.566418     -8.095037      9.457782
  H      -9.995119     -9.306276     11.073821
  H     -11.766802     -8.091980     12.336947
  H     -12.100408     -5.650958     11.949516
  H     -10.692861     -4.447034     10.308670
  H      -8.637635     -3.602356      9.868800
  H      -7.315662     -2.387595      8.171398
  H      -0.673015     -3.908258      6.348357
  H      -1.121140     -3.829083      8.072690
  H      -0.880071     -5.407227      7.289064
  H      -3.034214     -3.348905      6.563585
  H      -4.054539     -4.064335      8.415657
  H      -4.597426     -5.346439      7.357204
  H      -2.267630     -5.516281      9.355428
  H      -2.775490     -6.856824      8.328493
  H      -4.052661     -4.476955     10.944165
  H      -5.764068     -5.085924     12.614706
  H      -6.577377     -9.488442     12.883153
  H      -8.261901    -10.109371     14.589051
  H      -9.808488     -8.382672     15.510128
  H      -9.665760     -6.035523     14.678834
  H      -8.005736     -5.426057     12.948535
  H      -6.292688     -8.895902     10.681815
  H      -4.567586     -8.287183      9.017426
  N      -3.067393     -2.232660      4.263947
  N      -2.997825     -1.120044      4.553995
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639701787215
  N      -1.870808     -4.148994      2.247454
  C      -1.781525     -5.370159      1.451897
  C      -2.234933     -6.545243      2.302202
  N      -3.481914     -6.192437      3.025875
  C      -4.678959     -6.201053      2.145246
  C      -5.741605     -5.269000      2.707209
  N      -5.126736     -3.995749      3.095857
  Mo     -3.237304     -4.094283      3.704074
  N      -2.924017     -5.043721      5.416464
  C      -2.790746     -6.496750      5.368041
  C      -3.671215     -7.023779      4.242606
  H      -3.130971     -6.966132      6.305760
  H      -1.738061     -6.813407      5.227015
  H      -4.722761     -6.918770      4.543534
  H      -3.475467     -8.087968      4.018059
  H      -6.513894     -5.131609      1.930534
  H      -6.256379     -5.750927      3.563985
  H      -4.360555     -5.829615      1.161559
  H      -5.062983     -7.229658      2.019783
  H      -0.747037     -5.568903      1.119384
  H      -2.392404     -5.304547      0.527596
  H      -1.471613     -6.754853      3.064499
  H      -2.378428     -7.457315      1.695170
  C      -0.198110     -3.044521      0.727407
  C      -1.477337     -2.904498      1.555650
  C      -2.646526     -2.325946      0.736104
  C      -2.457627     -0.852049      0.328678
  C      -3.788949     -0.179818      0.121820
  C      -4.481713      0.358808      1.217104
  C      -5.755717      0.898543      1.067010
  C      -6.391961      0.919231     -0.186428
  C      -7.755833      1.470357     -0.339012
  C      -8.133587      2.167648     -1.500373
  C      -9.421781      2.683188     -1.641056
  C     -10.363947      2.513489     -0.623244
  C     -10.003840      1.822539      0.536557
  C      -8.715492      1.307234      0.676405
  C      -5.692211      0.390544     -1.284344
  C      -4.415060     -0.148072     -1.130884
  C      -6.844044     -2.535534      1.997081
  C      -6.080091     -2.888969      3.278764
  C      -7.055808     -3.154457      4.443681
  C      -6.333743     -3.362873      5.783019
  C      -7.153716     -4.071223      6.825410
  C      -7.499631     -5.421718      6.656444
  C      -8.255869     -6.101153      7.605726
  C      -8.702642     -5.457426      8.774250
  C      -9.540228     -6.171263      9.762380
  C      -9.379189     -7.549075      9.990759
  C     -10.182490     -8.224538     10.907552
  C     -11.167997     -7.538054     11.619446
  C     -11.340401     -6.168653     11.405846
  C     -10.536164     -5.493352     10.488767
  C      -8.340101     -4.112229      8.953380
  C      -7.583660     -3.434950      7.996691
  C      -1.262222     -4.387769      7.140216
  C      -2.738686     -4.396762      6.724537
  C      -3.694090     -4.930884      7.828343
  C      -3.136456     -5.950005      8.837194
  C      -4.177775     -6.339115      9.854527
  C      -4.549314     -5.449220     10.873461
  C      -5.521543     -5.788517     11.809529
  C      -6.161398     -7.040005     11.770234
  C      -7.166226     -7.411885     12.788312
  C      -7.269029     -8.734730     13.253372
  C      -8.210481     -9.083823     14.221052
  C      -9.070982     -8.116821     14.746638
  C      -8.982270     -6.799221     14.291050
  C      -8.041670     -6.451346     13.323800
  C      -5.798388     -7.925389     10.741854
  C      -4.829270     -7.577981      9.801590
  H       0.616264     -3.473527      1.329142
  H       0.126086     -2.055146      0.375068
  H      -0.351365     -3.679445     -0.157922
  H      -1.268916     -2.174436      2.354619
  H      -3.548344     -2.397432      1.363911
  H      -2.841195     -2.944170     -0.156823
  H      -1.841244     -0.772362     -0.579673
  H      -1.914443     -0.333345      1.136571
  H      -4.013115      0.349174      2.204871
  H      -6.261596      1.328167      1.933766
  H      -7.398541      2.327724     -2.291418
  H      -9.688950      3.229331     -2.547765
  H     -11.371700      2.917531     -0.732869
  H     -10.733683      1.676032      1.335060
  H      -8.452496      0.749015      1.577059
  H      -6.166868      0.377425     -2.267509
  H      -3.898368     -0.565110     -1.999242
  H      -7.561274     -3.318801      1.709922
  H      -6.149200     -2.369331      1.162055
  H      -7.415486     -1.608037      2.146903
  H      -5.468287     -2.013632      3.545401
  H      -7.664597     -4.043049      4.207838
  H      -7.763026     -2.312620      4.519997
  H      -5.982175     -2.394536      6.171405
  H      -5.431174     -3.965023      5.577617
  H      -7.169595     -5.947986      5.756222
  H      -8.530279     -7.142864      7.429811
  H      -8.589310     -8.088740      9.466227
  H     -10.023693     -9.289774     11.083696
  H     -11.789884     -8.064786     12.344797
  H     -12.110941     -5.622417     11.953430
  H     -10.698193     -4.428778     10.310201
  H      -8.639177     -3.593573      9.866227
  H      -7.309462     -2.390796      8.167094
  H      -0.664829     -3.906643      6.353416
  H      -1.119030     -3.826813      8.076076
  H      -0.873992     -5.405235      7.294161
  H      -3.026975     -3.348693      6.560097
  H      -4.057466     -4.065754      8.405708
  H      -4.590420     -5.351288      7.346678
  H      -2.269007     -5.511660      9.355348
  H      -2.770483     -6.854819      8.328308
  H      -4.053859     -4.477264     10.941660
  H      -5.766356     -5.087782     12.609840
  H      -6.583551     -9.492060     12.868244
  H      -8.266101    -10.115348     14.574378
  H      -9.808382     -8.389167     15.503683
  H      -9.663136     -6.039550     14.679177
  H      -8.005788     -5.427327     12.948541
  H      -6.296053     -8.894320     10.669288
  H      -4.569504     -8.284339      9.008794
  N      -3.060521     -2.231508      4.261718
  N      -2.992491     -1.118775      4.551804
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639708115328
  N      -1.866630     -4.147176      2.243949
  C      -1.778500     -5.367673      1.447235
  C      -2.229157     -6.543764      2.297824
  N      -3.475084     -6.192718      3.024338
  C      -4.673793     -6.201563      2.145899
  C      -5.736101     -5.271308      2.711165
  N      -5.122109     -3.996925      3.097095
  Mo     -3.231675     -4.093622      3.702077
  N      -2.917116     -5.043480      5.413577
  C      -2.781005     -6.496355      5.365433
  C      -3.660894     -7.025522      4.240464
  H      -3.119673     -6.965957      6.303604
  H      -1.727793     -6.810843      5.223754
  H      -4.712638     -6.924629      4.542051
  H      -3.461584     -8.088854      4.015045
  H      -6.512062     -5.135926      1.937776
  H      -6.246441     -5.753784      3.570399
  H      -4.357597     -5.828045      1.162278
  H      -5.056816     -7.230419      2.019438
  H      -0.744729     -5.565549      1.111993
  H      -2.391683     -5.301775      0.524448
  H      -1.463973     -6.752386      3.058590
  H      -2.372749     -7.455970      1.691062
  C      -0.196324     -3.041133      0.722087
  C      -1.473991     -2.901988      1.552805
  C      -2.644781     -2.322389      0.736328
  C      -2.457506     -0.848014      0.330075
  C      -3.789881     -0.177714      0.123827
  C      -4.482465      0.360635      1.219409
  C      -5.757469      0.898194      1.070226
  C      -6.394832      0.916808     -0.182689
  C      -7.759936      1.465368     -0.334549
  C      -8.139610      2.161456     -1.495952
  C      -9.428972      2.674387     -1.636014
  C     -10.370102      2.503181     -0.617567
  C     -10.007998      1.813428      0.542368
  C      -8.718586      1.300747      0.681627
  C      -5.695380      0.388469     -1.280913
  C      -4.417162     -0.147948     -1.128310
  C      -6.840018     -2.537483      1.999002
  C      -6.076358     -2.891186      3.280932
  C      -7.052426     -3.158424      4.444876
  C      -6.330646     -3.371228      5.783535
  C      -7.153699     -4.074593      6.826812
  C      -7.505630     -5.423714      6.659335
  C      -8.264510     -6.098803      7.609506
  C      -8.708175     -5.452143      8.777642
  C      -9.547865     -6.161879      9.766711
  C      -9.391910     -7.540107      9.995972
  C     -10.197431     -8.212052     10.913412
  C     -11.180086     -7.521633     11.625388
  C     -11.347324     -6.151677     11.411135
  C     -10.540911     -5.479954     10.493351
  C      -8.340003     -4.108284      8.955061
  C      -7.580817     -3.435290      7.997467
  C      -1.258530     -4.389247      7.141264
  C      -2.734158     -4.397464      6.722533
  C      -3.692396     -4.932506      7.823748
  C      -3.135534     -5.948844      8.835958
  C      -4.178607     -6.338284      9.851186
  C      -4.550684     -5.449688     10.871092
  C      -5.523656     -5.789903     11.806014
  C      -6.164091     -7.041023     11.764726
  C      -7.168641     -7.414304     12.782479
  C      -7.272372     -8.738186     13.244379
  C      -8.213168     -9.088915     14.212155
  C      -9.072207     -8.122507     14.741200
  C      -8.982576     -6.803890     14.288748
  C      -8.042656     -6.454450     13.321379
  C      -5.801230     -7.924760     10.734971
  C      -4.831164     -7.576491      9.795854
  H       0.618886     -3.471575      1.321680
  H       0.127777     -2.051298      0.370970
  H      -0.351275     -3.674491     -0.164082
  H      -1.264169     -2.172720      2.352142
  H      -3.545149     -2.394818      1.366103
  H      -2.841726     -2.939411     -0.156970
  H      -1.841171     -0.767189     -0.578226
  H      -1.914848     -0.329336      1.138320
  H      -4.012847      0.352236      2.206715
  H      -6.263495      1.327634      1.936983
  H      -7.405263      2.322631     -2.287408
  H      -9.697867      3.219683     -2.542722
  H     -11.378719      2.905185     -0.726811
  H     -10.737138      1.665854      1.341317
  H      -8.453547      0.743366      1.582199
  H      -6.171189      0.373850     -2.263491
  H      -3.900535     -0.564842     -1.996773
  H      -7.556305     -3.321459      1.711381
  H      -6.144924     -2.370352      1.164399
  H      -7.412295     -1.610527      2.148836
  H      -5.465486     -2.015464      3.548564
  H      -7.662525     -4.045526      4.206698
  H      -7.758476     -2.315785      4.523349
  H      -5.972322     -2.405060      6.171188
  H      -5.431864     -3.978757      5.577726
  H      -7.178418     -5.952636      5.759648
  H      -8.543571     -7.139449      7.434533
  H      -8.604299     -8.083394      9.471708
  H     -10.042344     -9.277786     11.089848
  H     -11.803677     -8.045658     12.351240
  H     -12.115262     -5.601854     11.958798
  H     -10.699234     -4.414906     10.314186
  H      -8.636343     -3.586941      9.867296
  H      -7.302309     -2.392088      8.166723
  H      -0.659416     -3.908223      6.355682
  H      -1.117079     -3.828237      8.077341
  H      -0.870537     -5.406651      7.296080
  H      -3.021366     -3.349142      6.557940
  H      -4.060524     -4.067452      8.398175
  H      -4.585667     -5.356514      7.339527
  H      -2.270537     -5.507767      9.355821
  H      -2.766464     -6.853524      8.329131
  H      -4.054720     -4.478108     10.941106
  H      -5.767958     -5.089854     12.607087
  H      -6.588293     -9.495693     12.857117
  H      -8.269258    -10.121344     14.562755
  H      -9.809092     -8.396006     15.498323
  H      -9.662135     -6.044320     14.679357
  H      -8.006817     -5.429293     12.949214
  H      -6.298815     -8.893525     10.659705
  H      -4.571481     -8.282387      9.002617
  N      -3.054931     -2.231391      4.259311
  N      -2.986451     -1.118813      4.550274
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639711779164
  N      -1.863733     -4.146085      2.241014
  C      -1.776455     -5.365623      1.443086
  C      -2.224812     -6.542618      2.293490
  N      -3.469666     -6.193088      3.022635
  C      -4.669825     -6.201628      2.146104
  C      -5.731371     -5.272686      2.714480
  N      -5.117761     -3.997626      3.098754
  Mo     -3.226594     -4.093592      3.701519
  N      -2.911805     -5.044856      5.411841
  C      -2.773407     -6.497582      5.362971
  C      -3.652375     -7.028000      4.237723
  H      -3.111549     -6.967622      6.301124
  H      -1.719751     -6.810431      5.221215
  H      -4.704437     -6.931716      4.539737
  H      -3.449331     -8.090255      4.010641
  H      -6.510281     -5.138388      1.943878
  H      -6.238202     -5.755838      3.575500
  H      -4.355498     -5.826480      1.162507
  H      -5.052330     -7.230578      2.018816
  H      -0.743264     -5.562757      1.105627
  H      -2.391460     -5.299237      0.521520
  H      -1.458113     -6.750990      3.052841
  H      -2.368869     -7.454541      1.686453
  C      -0.196599     -3.038715      0.716507
  C      -1.472107     -2.900107      1.550538
  C      -2.644766     -2.318886      0.737891
  C      -2.458358     -0.844195      0.332757
  C      -3.791445     -0.175160      0.126968
  C      -4.483523      0.363672      1.222577
  C      -5.759245      0.899726      1.074103
  C      -6.397778      0.916143     -0.178221
  C      -7.763821      1.462644     -0.329507
  C      -8.145310      2.156742     -1.491521
  C      -9.435561      2.667604     -1.631239
  C     -10.375611      2.496303     -0.611842
  C     -10.011641      1.808620      0.548765
  C      -8.721411      1.298005      0.687664
  C      -5.698839      0.387325     -1.276582
  C      -4.419879     -0.147478     -1.124673
  C      -6.835142     -2.538938      1.998861
  C      -6.072761     -2.892609      3.281670
  C      -7.049813     -3.160829      4.444289
  C      -6.329415     -3.374703      5.783320
  C      -7.154057     -4.076724      6.826326
  C      -7.510164     -5.424593      6.657814
  C      -8.270462     -6.098253      7.607868
  C      -8.711498     -5.451490      8.776930
  C      -9.552367     -6.159784      9.765909
  C      -9.399120     -7.538493      9.994136
  C     -10.205479     -8.209397     10.911609
  C     -11.186263     -7.517517     11.624702
  C     -11.350733     -6.147038     11.411491
  C     -10.543494     -5.476331     10.493690
  C      -8.339270     -4.108872      8.955321
  C      -7.578618     -3.437306      7.997879
  C      -1.255308     -4.393824      7.142835
  C      -2.730284     -4.400552      6.721904
  C      -3.690791     -4.936696      7.820811
  C      -3.135062     -5.952090      8.834720
  C      -4.179139     -6.339530      9.849669
  C      -4.549379     -5.450493     10.869837
  C      -5.522880     -5.789057     11.804843
  C      -6.165772     -7.038839     11.763295
  C      -7.170929     -7.410350     12.781163
  C      -7.277384     -8.734230     13.242473
  C      -8.218684     -9.083401     14.210378
  C      -9.075466     -8.115344     14.740150
  C      -8.983027     -6.796779     14.288290
  C      -8.042573     -6.448894     13.320779
  C      -5.804992     -7.923004     10.733223
  C      -4.834260     -7.576345      9.794066
  H       0.619962     -3.470291      1.313451
  H       0.127039     -2.048514      0.366000
  H      -0.353920     -3.670829     -0.170134
  H      -1.260049     -2.172018      2.350345
  H      -3.543351     -2.391924      1.370123
  H      -2.844687     -2.934729     -0.155597
  H      -1.842023     -0.762585     -0.575485
  H      -1.916040     -0.325621      1.141279
  H      -4.012783      0.356646      2.209359
  H      -6.265100      1.329707      1.940688
  H      -7.411739      2.318047     -2.283656
  H      -9.706025      3.211350     -2.538411
  H     -11.384908      2.896663     -0.720870
  H     -10.740007      1.661163      1.348438
  H      -8.454569      0.742137      1.588644
  H      -6.175767      0.371054     -2.258584
  H      -3.903561     -0.564744     -1.993136
  H      -7.550565     -3.323503      1.710619
  H      -6.139280     -2.371404      1.165009
  H      -7.408172     -1.612341      2.147949
  H      -5.462652     -2.016517      3.550074
  H      -7.660189     -4.047352      4.204638
  H      -7.755517     -2.317885      4.522900
  H      -5.970268     -2.408844      6.171099
  H      -5.430703     -3.982967      5.579240
  H      -7.185258     -5.954009      5.757583
  H      -8.552756     -7.137897      7.432064
  H      -8.612953     -8.083117      9.469097
  H     -10.052399     -9.275583     11.087129
  H     -11.810458     -8.040801     12.350564
  H     -12.117075     -5.595899     11.960044
  H     -10.699686     -4.410807     10.315425
  H      -8.633331     -3.587238      9.868146
  H      -7.296870     -2.395088      8.167872
  H      -0.654584     -3.912427      6.358711
  H      -1.115174     -3.833572      8.079566
  H      -0.867845     -5.411419      7.297660
  H      -3.016142     -3.351739      6.557959
  H      -4.061861     -4.072053      8.393883
  H      -4.581866     -5.362642      7.334262
  H      -2.270329     -5.510698      9.354709
  H      -2.766071     -6.857551      8.329228
  H      -4.051538     -4.479894     10.940176
  H      -5.765409     -5.088400     12.605921
  H      -6.595314     -9.493351     12.854839
  H      -8.276735    -10.115930     14.560350
  H      -9.812809     -8.387552     15.497296
  H      -9.660674     -6.035732     14.679341
  H      -8.004864     -5.423487     12.949487
  H      -6.304200     -8.890880     10.657369
  H      -4.576283     -8.282900      9.000854
  N      -3.049268     -2.232344      4.259279
  N      -2.979754     -1.120207      4.551997
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639713296080
  N      -1.861873     -4.143992      2.239485
  C      -1.773861     -5.363326      1.441260
  C      -2.221261     -6.541167      2.291366
  N      -3.466340     -6.193101      3.021169
  C      -4.667048     -6.202588      2.145376
  C      -5.729016     -5.274922      2.715237
  N      -5.116328     -3.999058      3.098390
  Mo     -3.224891     -4.093137      3.699904
  N      -2.910833     -5.043996      5.410504
  C      -2.769987     -6.496560      5.361568
  C      -3.647334     -7.028854      4.235918
  H      -3.108304     -6.966812      6.299519
  H      -1.715769     -6.807819      5.220659
  H      -4.699831     -6.936088      4.537580
  H      -3.441095     -8.090399      4.008419
  H      -6.509509     -5.141761      1.946032
  H      -6.233762     -5.758540      3.577248
  H      -4.353873     -5.826670      1.161699
  H      -5.048452     -7.231932      2.017941
  H      -0.740583     -5.559633      1.103572
  H      -2.389068     -5.297231      0.519781
  H      -1.454218     -6.749269      3.050462
  H      -2.364958     -7.452891      1.683961
  C      -0.195310     -3.035320      0.715135
  C      -1.470402     -2.897376      1.549856
  C      -2.643472     -2.315602      0.738154
  C      -2.457777     -0.840595      0.334162
  C      -3.791378     -0.172648      0.127868
  C      -4.484986      0.364402      1.223310
  C      -5.761209      0.899128      1.074248
  C      -6.398702      0.915932     -0.178573
  C      -7.765327      1.460742     -0.330583
  C      -8.146710      2.154834     -1.492700
  C      -9.437487      2.664076     -1.633382
  C     -10.378202      2.491193     -0.614855
  C     -10.014354      1.803588      0.545835
  C      -8.723608      1.294570      0.685657
  C      -5.698150      0.388932     -1.276856
  C      -4.418720     -0.144488     -1.124372
  C      -6.833991     -2.540059      1.999941
  C      -6.072002     -2.894696      3.282718
  C      -7.048826     -3.164204      4.445155
  C      -6.327585     -3.381232      5.783173
  C      -7.153222     -4.080251      6.827540
  C      -7.515535     -5.426471      6.659323
  C      -8.276569     -6.097192      7.610946
  C      -8.712061     -5.448957      8.781220
  C      -9.553668     -6.153803      9.771984
  C      -9.404472     -7.532960     10.000385
  C     -10.211544     -8.200880     10.919404
  C     -11.188882     -7.505509     11.633844
  C     -11.349168     -6.134527     11.420446
  C     -10.541205     -5.466755     10.501146
  C      -8.333742     -4.107974      8.959244
  C      -7.572375     -3.439407      8.000300
  C      -1.257650     -4.390553      7.143934
  C      -2.732087     -4.400352      6.721332
  C      -3.692699     -4.939340      7.818799
  C      -3.135875     -5.953642      8.833298
  C      -4.180246     -6.341568      9.847835
  C      -4.548846     -5.453981     10.869806
  C      -5.522886     -5.792839     11.804251
  C      -6.167588     -7.041526     11.760129
  C      -7.172848     -7.413890     12.777767
  C      -7.279296     -8.738312     13.237544
  C      -8.220390     -9.088408     14.205344
  C      -9.076848     -8.120714     14.736341
  C      -8.984432     -6.801725     14.285889
  C      -8.044103     -6.452834     13.318504
  C      -5.808553     -7.924283     10.728227
  C      -4.837421     -7.577151      9.789617
  H       0.621782     -3.466903      1.311347
  H       0.127801     -2.044817      0.364969
  H      -0.352899     -3.667027     -0.171752
  H      -1.257971     -2.170012      2.350199
  H      -3.541703     -2.389621      1.370753
  H      -2.843564     -2.930818     -0.155745
  H      -1.840880     -0.757995     -0.573609
  H      -1.916427     -0.322014      1.143321
  H      -4.015012      0.356825      2.210470
  H      -6.268343      1.327846      1.940711
  H      -7.412629      2.317500     -2.284079
  H      -9.707883      3.207784     -2.540598
  H     -11.387938      2.890246     -0.724623
  H     -10.743261      1.655016      1.344806
  H      -8.456788      0.738629      1.586607
  H      -6.174296      0.372926     -2.259240
  H      -3.901184     -0.560317     -1.992796
  H      -7.548116     -3.325326      1.710302
  H      -6.137777     -2.370623      1.166808
  H      -7.408468     -1.614470      2.149711
  H      -5.462239     -2.018601      3.552102
  H      -7.661181     -4.048976      4.204090
  H      -7.752829     -2.320028      4.526035
  H      -5.965058     -2.416515      6.170772
  H      -5.430877     -3.992163      5.578665
  H      -7.194968     -5.957089      5.758241
  H      -8.563779     -7.135560      7.435499
  H      -8.620962     -8.080199      9.474110
  H     -10.061703     -9.267497     11.095117
  H     -11.813626     -8.026554     12.360836
  H     -12.112977     -5.580804     11.969953
  H     -10.694068     -4.400747     10.322810
  H      -8.623590     -3.585319      9.872856
  H      -7.285604     -2.398498      8.169919
  H      -0.656878     -3.907362      6.360971
  H      -1.120213     -3.830401      8.081153
  H      -0.867912     -5.407250      7.298976
  H      -3.020040     -3.352015      6.557756
  H      -4.066431     -4.075898      8.391913
  H      -4.582013     -5.367546      7.330974
  H      -2.272004     -5.510816      9.353465
  H      -2.765450     -6.858976      8.328645
  H      -4.049374     -4.484367     10.942169
  H      -5.764145     -5.093448     12.606807
  H      -6.597392     -9.497067     12.848912
  H      -8.278330    -10.121328     14.554166
  H      -9.814105     -8.393621     15.493331
  H      -9.661874     -6.040973     14.677866
  H      -8.006263     -5.427034     12.948320
  H      -6.309173     -8.891297     10.650896
  H      -4.580675     -8.282570      8.994991
  N      -3.047868     -2.232392      4.257104
  N      -2.977990     -1.120342      4.550382
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639714542938
  N      -1.861438     -4.144208      2.239115
  C      -1.773327     -5.363392      1.440769
  C      -2.220393     -6.541240      2.290808
  N      -3.465387     -6.193360      3.020734
  C      -4.666238     -6.203186      2.145176
  C      -5.728128     -5.275441      2.715015
  N      -5.115419     -3.999570      3.098212
  Mo     -3.224061     -4.093520      3.700034
  N      -2.909982     -5.044568      5.410575
  C      -2.768457     -6.497028      5.361060
  C      -3.646026     -7.029223      4.235538
  H      -3.106324     -6.967706      6.298970
  H      -1.714165     -6.807824      5.219726
  H      -4.698409     -6.936529      4.537600
  H      -3.439808     -8.090726      4.007792
  H      -6.508491     -5.142172      1.945696
  H      -6.232931     -5.758993      3.576992
  H      -4.353314     -5.827723      1.161247
  H      -5.047649     -7.232595      2.018296
  H      -0.740049     -5.559567      1.102992
  H      -2.388638     -5.297270      0.519363
  H      -1.453312     -6.749516      3.049797
  H      -2.364130     -7.452819      1.683167
  C      -0.195593     -3.035220      0.714219
  C      -1.470389     -2.897476      1.549445
  C      -2.643770     -2.315669      0.738214
  C      -2.458182     -0.840532      0.334724
  C      -3.791781     -0.172451      0.128804
  C      -4.485015      0.364780      1.224356
  C      -5.761240      0.899627      1.075562
  C      -6.399138      0.916387     -0.177036
  C      -7.765710      1.461303     -0.328635
  C      -8.147567      2.155142     -1.490779
  C      -9.438297      2.664537     -1.631060
  C     -10.378632      2.492090     -0.612073
  C     -10.014353      1.804739      0.548613
  C      -8.723607      1.295557      0.688014
  C      -5.698886      0.389196     -1.275460
  C      -4.419501     -0.144339     -1.123278
  C      -6.832628     -2.540880      1.998499
  C      -6.071316     -2.895283      3.281664
  C      -7.048760     -3.164906      4.443656
  C      -6.328328     -3.381490      5.782145
  C      -7.154284     -4.080976      6.826022
  C      -7.516810     -5.427036      6.657107
  C      -8.277717     -6.098205      7.608557
  C      -8.712819     -5.450489      8.779224
  C      -9.554114     -6.155810      9.770011
  C      -9.404486     -7.535007      9.997960
  C     -10.211105     -8.203346     10.917052
  C     -11.188419     -7.508316     11.631888
  C     -11.349124     -6.137331     11.418887
  C     -10.541586     -5.469100     10.499528
  C      -8.334350     -4.109622      8.957941
  C      -7.573126     -3.440649      7.999186
  C      -1.258201     -4.390026      7.144740
  C      -2.732434     -4.400959      6.721529
  C      -3.693072     -4.940837      7.818460
  C      -3.136340     -5.955556      8.832532
  C      -4.180370     -6.342503      9.847880
  C      -4.547573     -5.454226     10.869723
  C      -5.521435     -5.791909     11.804808
  C      -6.167280     -7.040018     11.761274
  C      -7.172732     -7.411004     12.779283
  C      -7.280316     -8.735095     13.239738
  C      -8.221744     -9.083764     14.207714
  C      -9.077302     -8.114951     14.738131
  C      -8.983720     -6.796276     14.287031
  C      -8.043071     -6.448779     13.319454
  C      -5.809501     -7.923529     10.729537
  C      -4.838537     -7.577581      9.790372
  H       0.621925     -3.466346      1.310172
  H       0.126999     -2.044679      0.363675
  H      -0.353344     -3.667171     -0.172460
  H      -1.257608     -2.170292      2.349857
  H      -3.541872     -2.389960      1.370944
  H      -2.843902     -2.930704     -0.155791
  H      -1.841379     -0.757489     -0.573067
  H      -1.916847     -0.322191      1.144045
  H      -4.014759      0.357289      2.211375
  H      -6.267993      1.328506      1.942173
  H      -7.413844      2.317502     -2.282557
  H      -9.708972      3.208023     -2.538326
  H     -11.388360      2.891255     -0.721478
  H     -10.742921      1.656483      1.347952
  H      -8.456624      0.739820      1.589044
  H      -6.175230      0.373136     -2.257751
  H      -3.902292     -0.560294     -1.991837
  H      -7.546052     -3.326481      1.708036
  H      -6.135918     -2.370742      1.165926
  H      -7.407869     -1.615732      2.148146
  H      -5.461752     -2.019137      3.551292
  H      -7.660798     -4.049825      4.202350
  H      -7.752949     -2.320840      4.524016
  H      -5.967042     -2.416446      6.170110
  H      -5.430901     -3.991673      5.578449
  H      -7.196410     -5.957158      5.755676
  H      -8.564986     -7.136495      7.432766
  H      -8.620954     -8.081733      9.471189
  H     -10.061009     -9.269954     11.092601
  H     -11.812839     -8.029691     12.358928
  H     -12.113044     -5.584116     11.968742
  H     -10.694599     -4.403060     10.321554
  H      -8.623972     -3.587607      9.871984
  H      -7.285974     -2.399927      8.169314
  H      -0.657449     -3.906325      6.362093
  H      -1.121578     -3.829872      8.082083
  H      -0.867924     -5.406513      7.299858
  H      -3.021260     -3.352829      6.558102
  H      -4.067049     -4.077907      8.392184
  H      -4.582197     -5.368822      7.330102
  H      -2.271648     -5.513558      9.352036
  H      -2.767065     -6.861357      8.327832
  H      -4.047237     -4.485015     10.941499
  H      -5.761954     -5.092171     12.607282
  H      -6.599009     -9.494483     12.851305
  H      -8.280672    -10.116424     14.557137
  H      -9.814815     -8.386792     15.495262
  H      -9.660523     -6.034769     14.678636
  H      -8.004044     -5.423309     12.948494
  H      -6.311313     -8.889998     10.653122
  H      -4.582769     -8.283247      8.995653
  N      -3.047359     -2.232808      4.257680
  N      -2.977449     -1.120908      4.551459
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5658499-7SOn/orca E -6511.639715714240
  N      -1.860899     -4.144275      2.238834
  C      -1.772734     -5.363523      1.440559
  C      -2.219556     -6.541342      2.290714
  N      -3.464585     -6.193589      3.020576
  C      -4.665492     -6.203804      2.145163
  C      -5.727413     -5.275975      2.714856
  N      -5.114702     -4.000029      3.097887
  Mo     -3.223465     -4.093724      3.699876
  N      -2.909921     -5.044518      5.410738
  C      -2.767524     -6.496869      5.360990
  C      -3.645076     -7.029285      4.235587
  H      -3.104923     -6.967891      6.298901
  H      -1.713091     -6.807050      5.219387
  H      -4.697400     -6.936578      4.537801
  H      -3.438811     -8.090810      4.007954
  H      -6.507660     -5.142748      1.945413
  H      -6.232221     -5.759357      3.576887
  H      -4.352738     -5.828771      1.161018
  H      -5.046889     -7.233281      2.018801
  H      -0.739450     -5.559633      1.102750
  H      -2.388124     -5.297533      0.519200
  H      -1.452502     -6.749640      3.049706
  H      -2.363207     -7.452896      1.682987
  C      -0.195442     -3.035230      0.713521
  C      -1.470038     -2.897536      1.549070
  C      -2.643607     -2.315745      0.738101
  C      -2.458209     -0.840469      0.335091
  C      -3.791830     -0.172388      0.129258
  C      -4.485051      0.364827      1.224809
  C      -5.761308      0.899631      1.075999
  C      -6.399289      0.916399     -0.176550
  C      -7.765830      1.461294     -0.328021
  C      -8.147951      2.155045     -1.490151
  C      -9.438660      2.664466     -1.630257
  C     -10.378854      2.492144     -0.611085
  C     -10.014360      1.804856      0.549550
  C      -8.723585      1.295640      0.688763
  C      -5.698983      0.389247     -1.274981
  C      -4.419605     -0.144259     -1.122814
  C      -6.831459     -2.541394      1.997508
  C      -6.070721     -2.895713      3.280953
  C      -7.048651     -3.165446      4.442581
  C      -6.328835     -3.382098      5.781376
  C      -7.155325     -4.081331      6.825066
  C      -7.518846     -5.427069      6.655861
  C      -8.279671     -6.098058      7.607533
  C      -8.713638     -5.450370      8.778600
  C      -9.554695     -6.155559      9.769776
  C      -9.405334     -7.534831      9.997476
  C     -10.211722     -8.203022     10.916858
  C     -11.188532     -7.507693     11.632131
  C     -11.348939     -6.136650     11.419376
  C     -10.541594     -5.468539     10.499740
  C      -8.334318     -4.109766      8.957557
  C      -7.573182     -3.441014      7.998592
  C      -1.259709     -4.387535      7.145336
  C      -2.733777     -4.400507      6.721642
  C      -3.694076     -4.941482      7.818249
  C      -3.136892     -5.956165      8.832037
  C      -4.180574     -6.343117      9.847788
  C      -4.546628     -5.455064     10.870209
  C      -5.520320     -5.792529     11.805573
  C      -6.167049     -7.040174     11.761586
  C      -7.172374     -7.410991     12.779816
  C      -7.280479     -8.735163     13.239903
  C      -8.221825     -9.083566     14.208035
  C      -9.076708     -8.114420     14.738908
  C      -8.982609     -6.795648     14.288188
  C      -8.042060     -6.448387     13.320452
  C      -5.810350     -7.923448     10.729223
  C      -4.839585     -7.577728      9.789848
  H       0.622404     -3.465848      1.309389
  H       0.126721     -2.044704      0.362530
  H      -0.353235     -3.667520     -0.172903
  H      -1.256951     -2.170444      2.349487
  H      -3.541678     -2.390282      1.370831
  H      -2.843637     -2.930621     -0.156029
  H      -1.841318     -0.756907     -0.572591
  H      -1.917127     -0.322319      1.144705
  H      -4.014798      0.357397      2.211827
  H      -6.267960      1.328475      1.942690
  H      -7.414411      2.317307     -2.282126
  H      -9.709446      3.207874     -2.537537
  H     -11.388592      2.891331     -0.720302
  H     -10.742772      1.656639      1.349038
  H      -8.456624      0.739964      1.589838
  H      -6.175260      0.373178     -2.257309
  H      -3.902456     -0.560211     -1.991412
  H      -7.544006     -3.327389      1.705990
  H      -6.134253     -2.370203      1.165568
  H      -7.407652     -1.616840      2.147271
  H      -5.461271     -2.019620      3.550929
  H      -7.660642     -4.050287      4.200880
  H      -7.752813     -2.321352      4.522806
  H      -5.967874     -2.417016      6.169554
  H      -5.431266     -3.992245      5.578319
  H      -7.199268     -5.957046      5.754058
  H      -8.567668     -7.136133      7.431682
  H      -8.622174     -8.081559      9.470143
  H     -10.061921     -9.269674     11.092376
  H     -11.812813     -8.028947     12.359381
  H     -12.112566     -5.583432     11.969628
  H     -10.694246     -4.402424     10.321949
  H      -8.623205     -3.588013      9.871976
  H      -7.285113     -2.400571      8.168871
  H      -0.659347     -3.903259      6.362756
  H      -1.124040     -3.827019      8.082609
  H      -0.868363     -5.403573      7.300758
  H      -3.024104     -3.352797      6.558148
  H      -4.068633     -4.079126      8.392481
  H      -4.582929     -5.369682      7.329582
  H      -2.271952     -5.514261      9.351204
  H      -2.767822     -6.862054      8.327314
  H      -4.045557     -4.486251     10.942212
  H      -5.760227     -5.093239     12.608616
  H      -6.599523     -9.494574     12.850900
  H      -8.281258    -10.116267     14.557254
  H      -9.814126     -8.386102     15.496190
  H      -9.658978     -6.033985     14.680237
  H      -8.002372     -5.422945     12.949494
  H      -6.313193     -8.889387     10.652893
  H      -4.584586     -8.282910      8.994454
  N      -3.046855     -2.232995      4.257593
  N      -2.976530     -1.121250      4.551843
