124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.760216089925
  N      -3.363440     -3.225774      1.899195
  C      -3.649581     -4.018722      0.720454
  C      -3.226211     -5.465824      0.934945
  N      -3.713777     -5.933829      2.221647
  C      -5.122773     -6.297195      2.159370
  C      -5.751694     -6.072371      3.531705
  N      -5.438010     -4.742306      4.007665
  Mo     -3.527277     -4.282073      3.624135
  N      -2.265727     -5.590302      4.555478
  C      -1.719286     -6.410156      3.506808
  C      -2.879275     -7.027996      2.708442
  H      -1.055012     -7.208046      3.867146
  H      -1.114765     -5.789248      2.828145
  H      -3.469416     -7.643542      3.388454
  H      -2.525537     -7.661104      1.879394
  H      -6.829274     -6.256464      3.438141
  H      -5.366085     -6.831583      4.236386
  H      -5.615559     -5.624560      1.454019
  H      -5.258282     -7.334924      1.814804
  H      -3.117015     -3.663908     -0.173057
  H      -4.727443     -3.980748      0.470645
  H      -2.134640     -5.492113      0.956717
  H      -3.575789     -6.112139      0.112413
  C      -3.823443     -1.195686      0.533771
  C      -2.892292     -1.898323      1.551414
  C      -2.861420     -0.995813      2.786880
  C      -1.449994     -1.940490      0.957220
  C      -0.461349     -2.659796      1.873272
  C       0.787748     -3.182231      1.154164
  C       0.519660     -4.402796      0.275433
  C       1.737548     -4.712047     -0.604009
  C       3.049423     -4.376577      0.117043
  C       2.886540     -4.558245      1.622172
  C       1.871113     -3.552450      2.181101
  C      -6.111361     -2.743044      5.235648
  C      -6.571836     -4.053301      4.589616
  C      -7.256123     -4.888247      5.698501
  C      -7.647482     -3.702636      3.517382
  C      -7.101925     -2.778745      2.431853
  C      -7.954789     -2.688401      1.158111
  C      -9.408398     -2.317609      1.456457
  C     -10.146260     -1.938558      0.166374
  C      -9.654792     -2.767654     -1.027989
  C      -9.161690     -4.131935     -0.558427
  C      -7.913625     -3.975558      0.318446
  C      -3.103485     -5.376946      6.834777
  C      -2.167555     -6.146585      5.887857
  C      -2.627532     -7.625837      5.971910
  C      -0.705737     -6.089407      6.427896
  C      -0.077237     -4.701012      6.324879
  C       1.448090     -4.691262      6.472635
  C       1.897224     -5.211447      7.840084
  C       3.417613     -5.169502      7.973529
  C       3.940341     -3.751587      7.765889
  C       3.504309     -3.228150      6.401217
  C       1.984494     -3.270548      6.274553
  H      -4.843653     -1.211893      0.910570
  H      -3.809191     -1.673767     -0.442362
  H      -3.516264     -0.160414      0.400316
  H      -2.586575      0.017003      2.498792
  H      -2.127049     -1.366632      3.491884
  H      -3.850788     -0.975329      3.238420
  H      -1.480938     -2.443810     -0.010499
  H      -1.115409     -0.917149      0.772670
  H      -0.991749     -3.489094      2.365170
  H      -0.130187     -1.969865      2.653053
  H       1.163555     -2.378043      0.510745
  H      -0.353394     -4.242650     -0.359084
  H       0.302780     -5.255782      0.923291
  H       1.722523     -5.770224     -0.875483
  H       1.678987     -4.137529     -1.531270
  H       3.334705     -3.341803     -0.083531
  H       3.852707     -5.015296     -0.256161
  H       2.552775     -5.579397      1.819091
  H       3.849482     -4.428417      2.120378
  H       1.391282     -3.983294      3.063046
  H       2.387357     -2.643412      2.497766
  H      -5.634926     -2.945566      6.191147
  H      -5.407486     -2.255391      4.567333
  H      -6.964238     -2.091787      5.412217
  H      -7.959622     -4.267508      6.249262
  H      -6.506506     -5.264683      6.391770
  H      -7.803189     -5.736398      5.293561
  H      -8.495743     -3.235006      4.021798
  H      -8.012925     -4.625807      3.064789
  H      -7.010561     -1.770228      2.840895
  H      -6.092733     -3.122713      2.176377
  H      -7.530922     -1.876658      0.554047
  H      -9.443281     -1.481124      2.157220
  H      -9.902879     -3.165618      1.931989
  H      -9.996710     -0.877882     -0.046970
  H     -11.217987     -2.093780      0.309771
  H     -10.460134     -2.886465     -1.755885
  H      -8.833076     -2.252768     -1.530578
  H      -9.959220     -4.621677      0.004293
  H      -8.931308     -4.766361     -1.417488
  H      -7.023408     -3.953807     -0.315872
  H      -7.827559     -4.846686      0.970188
  H      -3.377135     -5.999191      7.684791
  H      -2.626642     -4.483125      7.223871
  H      -4.001810     -5.114466      6.273891
  H      -2.055441     -8.282115      5.320741
  H      -2.505683     -7.988545      6.991249
  H      -3.680951     -7.698224      5.707006
  H      -0.709104     -6.428973      7.465152
  H      -0.096261     -6.790635      5.851517
  H      -0.497847     -4.046697      7.092426
  H      -0.340512     -4.292967      5.341354
  H       1.879229     -5.336606      5.697706
  H       1.447371     -4.595846      8.623519
  H       1.552446     -6.237350      7.980449
  H       3.711982     -5.535545      8.960281
  H       3.863714     -5.831010      7.226192
  H       5.030285     -3.740072      7.840859
  H       3.544102     -3.100292      8.548989
  H       3.859542     -2.204239      6.262232
  H       3.951272     -3.846197      5.618906
  H       1.686214     -2.898133      5.292285
  H       1.543778     -2.614113      7.029686
  N      -3.304350     -2.667054      4.994871
  N      -3.159317     -1.616348      5.886651
  H      -3.976844     -1.023443      5.844335
  H      -3.055909     -1.981579      6.823449
  H      -2.339461     -1.078001      5.642323
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.783354893624
  N      -3.334350     -3.168120      1.922341
  C      -3.629068     -3.964789      0.713828
  C      -3.220013     -5.421116      0.920548
  N      -3.723378     -5.897626      2.227331
  C      -5.159676     -6.259560      2.152178
  C      -5.794265     -6.040505      3.527873
  N      -5.459805     -4.691058      4.030030
  Mo     -3.523835     -4.219450      3.672456
  N      -2.275244     -5.565722      4.590578
  C      -1.722254     -6.405776      3.530899
  C      -2.885633     -7.018037      2.720449
  H      -1.071284     -7.215823      3.891843
  H      -1.103424     -5.789737      2.856622
  H      -3.486613     -7.632914      3.396676
  H      -2.533430     -7.652126      1.889961
  H      -6.874889     -6.211986      3.427657
  H      -5.421423     -6.811214      4.228783
  H      -5.643193     -5.576289      1.445545
  H      -5.300921     -7.293929      1.797962
  H      -3.086860     -3.610362     -0.174850
  H      -4.705521     -3.909158      0.458255
  H      -2.125517     -5.458390      0.946645
  H      -3.571920     -6.062821      0.094702
  C      -3.772945     -1.160064      0.503583
  C      -2.837126     -1.834584      1.535829
  C      -2.777522     -0.873617      2.729402
  C      -1.396700     -1.921511      0.932573
  C      -0.388175     -2.616704      1.851753
  C       0.844299     -3.174074      1.127859
  C       0.550234     -4.423499      0.294629
  C       1.752890     -4.774916     -0.597826
  C       3.085556     -4.425251      0.088187
  C       2.950510     -4.552359      1.605132
  C       1.948759     -3.517502      2.147639
  C      -6.286602     -2.712941      5.303736
  C      -6.646622     -4.035162      4.609862
  C      -7.312126     -4.929466      5.683114
  C      -7.706978     -3.710629      3.511025
  C      -7.195786     -2.737521      2.446737
  C      -8.035495     -2.677025      1.160411
  C      -9.515270     -2.392038      1.437963
  C     -10.254763     -2.039099      0.136286
  C      -9.696739     -2.826161     -1.063703
  C      -9.131881     -4.169027     -0.602089
  C      -7.907066     -3.951521      0.301716
  C      -3.090560     -5.384734      6.918206
  C      -2.176348     -6.145713      5.932652
  C      -2.650391     -7.621502      5.992791
  C      -0.705540     -6.101775      6.447758
  C      -0.068602     -4.712495      6.358889
  C       1.460283     -4.709372      6.481366
  C       1.936734     -5.258510      7.831886
  C       3.463215     -5.222445      7.939029
  C       3.988595     -3.799656      7.745636
  C       3.526233     -3.246874      6.397301
  C       2.000571     -3.284890      6.297983
  H      -4.795440     -1.147212      0.891599
  H      -3.775554     -1.676411     -0.459209
  H      -3.451825     -0.130392      0.328679
  H      -2.488070      0.122665      2.383070
  H      -2.038147     -1.219811      3.450289
  H      -3.763667     -0.811185      3.195301
  H      -1.447713     -2.459999     -0.021138
  H      -1.056003     -0.904394      0.707197
  H      -0.908355     -3.429092      2.383480
  H      -0.035737     -1.900958      2.605412
  H       1.214765     -2.392746      0.447171
  H      -0.338244     -4.278273     -0.330625
  H       0.337249     -5.255331      0.979440
  H       1.724640     -5.845709     -0.833633
  H       1.680211     -4.231157     -1.547392
  H       3.376492     -3.396198     -0.155706
  H       3.880164     -5.084289     -0.279610
  H       2.612362     -5.567937      1.846048
  H       3.926797     -4.413242      2.083515
  H       1.480041     -3.914432      3.057343
  H       2.478368     -2.597721      2.424735
  H      -5.826763     -2.911128      6.274986
  H      -5.592953     -2.154291      4.676695
  H      -7.192153     -2.122075      5.466777
  H      -8.062049     -4.353768      6.231200
  H      -6.558166     -5.285707      6.391379
  H      -7.809049     -5.799046      5.245043
  H      -8.591173     -3.296216      4.008178
  H      -8.016358     -4.647160      3.032362
  H      -7.165165     -1.727586      2.874107
  H      -6.163150     -3.018730      2.198426
  H      -7.647940     -1.831308      0.572085
  H      -9.610216     -1.565516      2.152554
  H      -9.970740     -3.276836      1.897511
  H     -10.163206     -0.964493     -0.061960
  H     -11.322360     -2.257010      0.259851
  H     -10.484303     -2.980737     -1.809903
  H      -8.894828     -2.255911     -1.549073
  H      -9.911864     -4.714571     -0.056819
  H      -8.851044     -4.781189     -1.467317
  H      -7.005273     -3.870815     -0.319311
  H      -7.780166     -4.829146      0.947112
  H      -3.349832     -6.026272      7.764505
  H      -2.597565     -4.496262      7.317251
  H      -4.006742     -5.097990      6.394938
  H      -2.090045     -8.274611      5.318874
  H      -2.517386     -8.004134      7.008116
  H      -3.713544     -7.682266      5.739568
  H      -0.695353     -6.461976      7.482242
  H      -0.106920     -6.800703      5.847972
  H      -0.475862     -4.066256      7.147659
  H      -0.346013     -4.282155      5.385745
  H       1.876108     -5.344302      5.683198
  H       1.500613     -4.653325      8.638825
  H       1.588975     -6.290102      7.961486
  H       3.776630     -5.609885      8.916407
  H       3.895196     -5.874924      7.168482
  H       5.084010     -3.791796      7.801154
  H       3.608239     -3.158626      8.552132
  H       3.883660     -2.217554      6.269105
  H       3.958263     -3.853332      5.590345
  H       1.682190     -2.891027      5.324824
  H       1.572906     -2.638571      7.077161
  N      -3.269263     -2.672073      5.031744
  N      -3.104350     -1.631572      5.941467
  H      -3.921515     -1.007212      5.917436
  H      -3.003804     -2.011445      6.888340
  H      -2.265016     -1.088249      5.709652
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.805645237755
  N      -3.337259     -3.185987      1.934987
  C      -3.629360     -3.971750      0.710768
  C      -3.213008     -5.419159      0.902950
  N      -3.720844     -5.911495      2.211967
  C      -5.165282     -6.276711      2.134356
  C      -5.791356     -6.073615      3.508380
  N      -5.454703     -4.719691      4.023512
  Mo     -3.530737     -4.233120      3.678502
  N      -2.288030     -5.577877      4.571290
  C      -1.721069     -6.420376      3.509325
  C      -2.873188     -7.037103      2.703183
  H      -1.069609     -7.229604      3.872554
  H      -1.099963     -5.801249      2.837685
  H      -3.475859     -7.658798      3.377008
  H      -2.520666     -7.664984      1.867370
  H      -6.872730     -6.240197      3.410304
  H      -5.419206     -6.849119      4.204294
  H      -5.648787     -5.586598      1.429306
  H      -5.300705     -7.308272      1.769867
  H      -3.083425     -3.603765     -0.169409
  H      -4.704531     -3.910668      0.453776
  H      -2.115242     -5.456126      0.934604
  H      -3.560966     -6.059527      0.074694
  C      -3.756148     -1.141404      0.558871
  C      -2.826191     -1.835207      1.582588
  C      -2.768469     -0.899942      2.800503
  C      -1.382011     -1.932753      0.992417
  C      -0.376241     -2.655800      1.897802
  C       0.853210     -3.213286      1.167149
  C       0.545781     -4.438993      0.299166
  C       1.752952     -4.790876     -0.596239
  C       3.093099     -4.477599      0.105864
  C       2.949600     -4.634396      1.623070
  C       1.953633     -3.596031      2.183793
  C      -6.259801     -2.732230      5.322923
  C      -6.639375     -4.047922      4.619445
  C      -7.299379     -4.948897      5.688776
  C      -7.691231     -3.707140      3.518459
  C      -7.180988     -2.726368      2.455103
  C      -8.025315     -2.655278      1.170501
  C      -9.508277     -2.366920      1.444149
  C     -10.246715     -2.008420      0.137380
  C      -9.685806     -2.792767     -1.070677
  C      -9.118189     -4.141212     -0.616382
  C      -7.894898     -3.926754      0.298448
  C      -3.111485     -5.364148      6.905781
  C      -2.197917     -6.145128      5.929860
  C      -2.669867     -7.619013      5.997102
  C      -0.725912     -6.078921      6.433462
  C      -0.099367     -4.681678      6.332257
  C       1.430716     -4.655427      6.448297
  C       1.931594     -5.197765      7.796819
  C       3.462317     -5.137952      7.893879
  C       3.969940     -3.706360      7.687220
  C       3.484211     -3.159036      6.340266
  C       1.954644     -3.222727      6.252719
  H      -4.788308     -1.127682      0.940910
  H      -3.757030     -1.641058     -0.418990
  H      -3.425800     -0.105812      0.404611
  H      -2.465748      0.103731      2.471013
  H      -2.035634     -1.264541      3.531065
  H      -3.760090     -0.834119      3.269262
  H      -1.433208     -2.452740      0.022146
  H      -1.032604     -0.909586      0.787025
  H      -0.899412     -3.481042      2.412401
  H      -0.018946     -1.960365      2.676062
  H       1.239074     -2.418269      0.503191
  H      -0.342946     -4.266851     -0.328683
  H       0.313257     -5.286750      0.967844
  H       1.709615     -5.859663     -0.859253
  H       1.692507     -4.224014     -1.538542
  H       3.403336     -3.443472     -0.116424
  H       3.883795     -5.140372     -0.276144
  H       2.595379     -5.655354      1.842520
  H       3.928034     -4.521626      2.114145
  H       1.471361     -4.007633      3.086459
  H       2.493992     -2.685220      2.488639
  H      -5.788466     -2.941134      6.294498
  H      -5.562650     -2.159390      4.700294
  H      -7.167009     -2.137170      5.497983
  H      -8.046210     -4.369203      6.248151
  H      -6.539419     -5.315247      6.395218
  H      -7.808401     -5.817999      5.249160
  H      -8.575265     -3.291727      4.024471
  H      -8.011440     -4.643174      3.033810
  H      -7.142419     -1.714453      2.891533
  H      -6.146301     -3.005502      2.195799
  H      -7.634056     -1.803409      0.585722
  H      -9.606320     -1.541802      2.168280
  H      -9.969128     -3.257144      1.902226
  H     -10.155661     -0.927876     -0.055427
  H     -11.319719     -2.225385      0.257296
  H     -10.473268     -2.941409     -1.824393
  H      -8.880159     -2.215958     -1.554627
  H      -9.902212     -4.696169     -0.075217
  H      -8.833977     -4.752181     -1.486828
  H      -6.984985     -3.841034     -0.319554
  H      -7.766964     -4.813583      0.940961
  H      -3.363582     -5.993541      7.769664
  H      -2.619103     -4.458102      7.285614
  H      -4.040453     -5.081296      6.394373
  H      -2.104016     -8.281047      5.326511
  H      -2.535202     -7.992504      7.020993
  H      -3.738852     -7.689090      5.742799
  H      -0.709908     -6.434212      7.474561
  H      -0.121109     -6.784419      5.837262
  H      -0.513775     -4.030059      7.121419
  H      -0.386179     -4.253782      5.357155
  H       1.850159     -5.290678      5.644745
  H       1.489608     -4.593446      8.610073
  H       1.595811     -6.237933      7.935688
  H       3.791860     -5.521241      8.872782
  H       3.899364     -5.791800      7.119280
  H       5.070161     -3.681772      7.734723
  H       3.588064     -3.064079      8.500152
  H       3.828205     -2.121084      6.203450
  H       3.919460     -3.762561      5.524559
  H       1.617799     -2.832465      5.278183
  H       1.519923     -2.577028      7.037622
  N      -3.274144     -2.790968      4.982405
  N      -3.104112     -1.762854      5.907976
  H      -3.925268     -1.116638      5.912092
  H      -2.998399     -2.154099      6.865065
  H      -2.255380     -1.198604      5.694305
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.818062634009
  N      -3.341848     -3.192375      1.950963
  C      -3.631357     -3.964181      0.718793
  C      -3.210811     -5.404662      0.896591
  N      -3.719184     -5.907132      2.202116
  C      -5.163824     -6.274597      2.122319
  C      -5.783024     -6.084070      3.493496
  N      -5.443990     -4.732994      4.016180
  Mo     -3.538917     -4.224789      3.691278
  N      -2.302557     -5.572550      4.549324
  C      -1.724204     -6.417866      3.492277
  C      -2.866708     -7.034367      2.688142
  H      -1.074572     -7.226357      3.862109
  H      -1.098656     -5.798505      2.825610
  H      -3.472731     -7.659947      3.356442
  H      -2.516119     -7.656321      1.846870
  H      -6.866414     -6.242792      3.399510
  H      -5.413425     -6.862089      4.186806
  H      -5.644993     -5.580128      1.419147
  H      -5.292914     -7.303650      1.748334
  H      -3.081938     -3.580801     -0.153030
  H      -4.705239     -3.895136      0.461761
  H      -2.112898     -5.444310      0.933393
  H      -3.556594     -6.044165      0.066718
  C      -3.742910     -1.134206      0.601526
  C      -2.818021     -1.833692      1.620859
  C      -2.755865     -0.909420      2.844373
  C      -1.376658     -1.943195      1.035932
  C      -0.374333     -2.678971      1.933100
  C       0.851607     -3.240247      1.200697
  C       0.536727     -4.451566      0.314211
  C       1.746448     -4.808014     -0.577689
  C       3.088006     -4.518083      0.135032
  C       2.935958     -4.687236      1.650653
  C       1.945500     -3.645069      2.216912
  C      -6.230672     -2.738075      5.329346
  C      -6.621873     -4.047906      4.623570
  C      -7.275501     -4.952664      5.688669
  C      -7.669100     -3.702878      3.525081
  C      -7.164015     -2.719396      2.462037
  C      -8.012252     -2.647040      1.180940
  C      -9.496515     -2.360666      1.450389
  C     -10.234196     -2.005962      0.140801
  C      -9.669456     -2.789218     -1.068242
  C      -9.095451     -4.136044     -0.615484
  C      -7.876022     -3.916917      0.304982
  C      -3.127150     -5.342689      6.890598
  C      -2.218891     -6.131166      5.919093
  C      -2.688335     -7.600530      5.985333
  C      -0.746144     -6.053128      6.413092
  C      -0.125105     -4.654026      6.308991
  C       1.403811     -4.616397      6.418343
  C       1.921808     -5.161504      7.759697
  C       3.453097     -5.089796      7.847345
  C       3.951833     -3.654973      7.636858
  C       3.449382     -3.104337      6.296688
  C       1.919529     -3.180841      6.219571
  H      -4.777737     -1.115519      0.979310
  H      -3.744483     -1.628572     -0.380082
  H      -3.406910     -0.098074      0.452084
  H      -2.443185      0.092853      2.517105
  H      -2.026682     -1.280378      3.577848
  H      -3.745776     -0.833344      3.318819
  H      -1.430510     -2.453379      0.059341
  H      -1.021065     -0.919228      0.836591
  H      -0.897950     -3.509710      2.440712
  H      -0.014057     -1.996225      2.723228
  H       1.249293     -2.441186      0.546331
  H      -0.348431     -4.264592     -0.315907
  H       0.289094     -5.304937      0.972860
  H       1.692793     -5.873731     -0.854362
  H       1.696692     -4.231283     -1.515599
  H       3.412198     -3.484685     -0.076590
  H       3.874652     -5.183779     -0.252217
  H       2.570389     -5.707793      1.859404
  H       3.912287     -4.591889      2.151063
  H       1.453164     -4.060620      3.114028
  H       2.491298     -2.741694      2.537372
  H      -5.748237     -2.950704      6.296892
  H      -5.539018     -2.153408      4.708076
  H      -7.138241     -2.145183      5.515095
  H      -8.020077     -4.374191      6.255504
  H      -6.513325     -5.323535      6.391844
  H      -7.790184     -5.819880      5.249552
  H      -8.553100     -3.289219      4.036027
  H      -7.995226     -4.638640      3.041379
  H      -7.121668     -1.707520      2.901760
  H      -6.129078     -2.993473      2.194432
  H      -7.621946     -1.793160      0.596617
  H      -9.599998     -1.536941      2.176916
  H      -9.957259     -3.252133      1.909813
  H     -10.147812     -0.924037     -0.051519
  H     -11.307907     -2.224739      0.258544
  H     -10.454660     -2.937830     -1.825327
  H      -8.865554     -2.207663     -1.552219
  H      -9.878092     -4.697816     -0.076753
  H      -8.807413     -4.747277     -1.485326
  H      -6.962342     -3.826521     -0.308706
  H      -7.744096     -4.805252      0.946595
  H      -3.368152     -5.965571      7.763807
  H      -2.635328     -4.428904      7.256970
  H      -4.066677     -5.060988      6.396208
  H      -2.119870     -8.262680      5.315407
  H      -2.552366     -7.972863      7.011202
  H      -3.758008     -7.677113      5.731196
  H      -0.723470     -6.409329      7.455543
  H      -0.140400     -6.760462      5.818026
  H      -0.541087     -4.002273      7.100082
  H      -0.419253     -4.222839      5.336990
  H       1.821746     -5.247942      5.608822
  H       1.479610     -4.562189      8.578952
  H       1.591778     -6.204194      7.900828
  H       3.793853     -5.475166      8.822291
  H       3.889376     -5.741228      7.068268
  H       5.052827     -3.622060      7.677084
  H       3.573956     -3.015593      8.455967
  H       3.786342     -2.063614      6.157809
  H       3.882120     -3.701509      5.473025
  H       1.569628     -2.788373      5.249222
  H       1.483842     -2.539393      7.010057
  N      -3.279803     -2.897449      4.932722
  N      -3.104243     -1.898603      5.874346
  H      -3.918934     -1.238394      5.910147
  H      -2.995175     -2.305951      6.826940
  H      -2.255354     -1.321626      5.683210
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.822142273849
  N      -3.341409     -3.214509      1.984274
  C      -3.621080     -3.974413      0.749986
  C      -3.204977     -5.414209      0.921450
  N      -3.727925     -5.919846      2.213927
  C      -5.167123     -6.282540      2.118771
  C      -5.796286     -6.097340      3.482451
  N      -5.460116     -4.752472      4.004821
  Mo     -3.563339     -4.231662      3.722338
  N      -2.344777     -5.596454      4.560931
  C      -1.756135     -6.443630      3.516701
  C      -2.888339     -7.051109      2.701236
  H      -1.114330     -7.250952      3.902251
  H      -1.117372     -5.829650      2.858614
  H      -3.505669     -7.678117      3.356909
  H      -2.535734     -7.666730      1.855922
  H      -6.880544     -6.245373      3.380343
  H      -5.439209     -6.876961      4.180003
  H      -5.638963     -5.586310      1.411983
  H      -5.289189     -7.310401      1.738310
  H      -3.061535     -3.580702     -0.110710
  H      -4.692116     -3.898150      0.484100
  H      -2.108637     -5.461962      0.970535
  H      -3.546265     -6.050591      0.086855
  C      -3.719686     -1.137508      0.668555
  C      -2.803099     -1.856245      1.680522
  C      -2.738376     -0.959770      2.921223
  C      -1.362693     -1.970803      1.098513
  C      -0.367431     -2.721698      1.987988
  C       0.867837     -3.265394      1.258890
  C       0.564898     -4.439355      0.320441
  C       1.791052     -4.776170     -0.554467
  C       3.119194     -4.523353      0.194145
  C       2.936465     -4.738350      1.699218
  C       1.940268     -3.711466      2.279668
  C      -6.226706     -2.752525      5.310873
  C      -6.631622     -4.056949      4.608859
  C      -7.289126     -4.960558      5.670875
  C      -7.672133     -3.710109      3.507298
  C      -7.167246     -2.718203      2.454279
  C      -8.010842     -2.635680      1.171711
  C      -9.496434     -2.352985      1.430844
  C     -10.225562     -1.991581      0.119423
  C      -9.650870     -2.759739     -1.093359
  C      -9.070783     -4.106792     -0.653524
  C      -7.862989     -3.893265      0.281450
  C      -3.132673     -5.309597      6.908730
  C      -2.245175     -6.122704      5.944176
  C      -2.708594     -7.589590      6.045038
  C      -0.762912     -6.028189      6.404900
  C      -0.155197     -4.627049      6.281341
  C       1.374350     -4.575159      6.349965
  C       1.938774     -5.124620      7.669225
  C       3.470013     -5.039828      7.712499
  C       3.954953     -3.603633      7.486494
  C       3.404211     -3.048286      6.168428
  C       1.874828     -3.137649      6.136563
  H      -4.754286     -1.113453      1.042942
  H      -3.723117     -1.618349     -0.318231
  H      -3.375753     -0.102867      0.530515
  H      -2.414135      0.044251      2.615708
  H      -2.014263     -1.349802      3.648578
  H      -3.727129     -0.880481      3.396499
  H      -1.415030     -2.462081      0.113481
  H      -1.000422     -0.946992      0.911864
  H      -0.891363     -3.566214      2.471775
  H      -0.019044     -2.060984      2.800822
  H       1.283152     -2.447095      0.641204
  H      -0.304108     -4.224584     -0.321256
  H       0.293091     -5.312554      0.940961
  H       1.734371     -5.830033     -0.869925
  H       1.766291     -4.169617     -1.473438
  H       3.457227     -3.487963      0.021869
  H       3.908409     -5.180287     -0.200593
  H       2.561800     -5.762079      1.868257
  H       3.901245     -4.668470      2.223856
  H       1.428852     -4.153410      3.152193
  H       2.481238     -2.823360      2.644991
  H      -5.718807     -2.967310      6.263981
  H      -5.557844     -2.157150      4.675699
  H      -7.130719     -2.165589      5.523211
  H      -8.036932     -4.383937      6.234300
  H      -6.531982     -5.329737      6.378533
  H      -7.802146     -5.826963      5.231446
  H      -8.560260     -3.303074      4.016039
  H      -7.999032     -4.642564      3.020392
  H      -7.124934     -1.710774      2.902268
  H      -6.131069     -2.985131      2.185842
  H      -7.618409     -1.776058      0.598376
  H      -9.609163     -1.537493      2.163848
  H      -9.958756     -3.246944      1.881838
  H     -10.144530     -0.908229     -0.062258
  H     -11.298740     -2.213743      0.227660
  H     -10.429217     -2.901748     -1.857655
  H      -8.849159     -2.168695     -1.567460
  H      -9.853581     -4.680838     -0.129833
  H      -8.772818     -4.707707     -1.526182
  H      -6.942657     -3.792560     -0.318993
  H      -7.731989     -4.788265      0.911999
  H      -3.330084     -5.896851      7.815775
  H      -2.644417     -4.373983      7.218940
  H      -4.095298     -5.063111      6.441630
  H      -2.148524     -8.260965      5.379538
  H      -2.554888     -7.944211      7.074355
  H      -3.780618     -7.676202      5.810369
  H      -0.711954     -6.380487      7.447431
  H      -0.164967     -6.736141      5.804749
  H      -0.555743     -3.975052      7.079655
  H      -0.480120     -4.197312      5.319138
  H       1.772271     -5.200199      5.526153
  H       1.516105     -4.534244      8.504104
  H       1.619108     -6.168385      7.817836
  H       3.843580     -5.426043      8.673948
  H       3.887302     -5.688275      6.921661
  H       5.055524     -3.563776      7.491782
  H       3.604338     -2.968398      8.319754
  H       3.729646     -2.005936      6.022131
  H       3.814824     -3.635679      5.327696
  H       1.489841     -2.743752      5.180991
  H       1.457993     -2.501392      6.940324
  N      -3.291858     -2.941463      4.960872
  N      -3.108506     -1.971492      5.922127
  H      -3.913598     -1.303794      5.981142
  H      -3.002828     -2.400061      6.863641
  H      -2.257923     -1.395804      5.750460
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.824751126771
  N      -3.343091     -3.224342      2.007713
  C      -3.619725     -3.969670      0.773531
  C      -3.205851     -5.409383      0.933475
  N      -3.738921     -5.922373      2.211489
  C      -5.172110     -6.279394      2.107111
  C      -5.806440     -6.102986      3.467661
  N      -5.472800     -4.766672      3.989312
  Mo     -3.585712     -4.230725      3.742714
  N      -2.382129     -5.619217      4.552203
  C      -1.785089     -6.458321      3.516752
  C      -2.910677     -7.056521      2.693273
  H      -1.149823     -7.263485      3.916177
  H      -1.134249     -5.847706      2.866923
  H      -3.534682     -7.688480      3.337800
  H      -2.558562     -7.662766      1.840783
  H      -6.891714     -6.241592      3.361693
  H      -5.457928     -6.886105      4.165377
  H      -5.640453     -5.580649      1.401337
  H      -5.289044     -7.305233      1.718313
  H      -3.056131     -3.562996     -0.078659
  H      -4.689769     -3.888801      0.504091
  H      -2.110681     -5.463407      0.989240
  H      -3.544980     -6.039394      0.092543
  C      -3.692934     -1.141890      0.704332
  C      -2.788380     -1.869606      1.719922
  C      -2.717438     -0.979276      2.961192
  C      -1.349130     -2.002817      1.142968
  C      -0.368827     -2.754590      2.044991
  C       0.877231     -3.305060      1.341088
  C       0.587835     -4.467448      0.384857
  C       1.832588     -4.814974     -0.456170
  C       3.143089     -4.580942      0.325366
  C       2.922373     -4.796757      1.823596
  C       1.920987     -3.766313      2.383573
  C      -6.214209     -2.767644      5.298221
  C      -6.635377     -4.063552      4.597610
  C      -7.296454     -4.965926      5.658103
  C      -7.672457     -3.710989      3.496617
  C      -7.167100     -2.712798      2.452536
  C      -8.008472     -2.621181      1.170379
  C      -9.493916     -2.339776      1.423542
  C     -10.217817     -1.973360      0.112188
  C      -9.637385     -2.728869     -1.103928
  C      -9.052091     -4.075820     -0.675957
  C      -7.853362     -3.868850      0.269441
  C      -3.135243     -5.342035      6.916069
  C      -2.255413     -6.135735      5.937566
  C      -2.693234     -7.608552      6.036158
  C      -0.764672     -6.016297      6.366485
  C      -0.190313     -4.602078      6.257335
  C       1.337748     -4.517138      6.270952
  C       1.969159     -5.095571      7.544734
  C       3.497109     -4.978129      7.527241
  C       3.946410     -3.529441      7.316328
  C       3.324902     -2.945031      6.044340
  C       1.799696     -3.066387      6.074801
  H      -4.726957     -1.103286      1.075400
  H      -3.699203     -1.624552     -0.280425
  H      -3.337414     -0.112193      0.561936
  H      -2.376570      0.019753      2.659583
  H      -2.000774     -1.378814      3.688487
  H      -3.704588     -0.883388      3.433695
  H      -1.400102     -2.493745      0.159077
  H      -0.974989     -0.984648      0.949478
  H      -0.900300     -3.598003      2.522100
  H      -0.033918     -2.098676      2.866063
  H       1.316307     -2.486958      0.740636
  H      -0.259950     -4.240952     -0.278695
  H       0.285102     -5.340622      0.990244
  H       1.771499     -5.865522     -0.779316
  H       1.838999     -4.206600     -1.373531
  H       3.497754     -3.550150      0.163585
  H       3.934999     -5.242724     -0.053778
  H       2.536388     -5.817385      1.981716
  H       3.872950     -4.739314      2.373707
  H       1.386912     -4.207233      3.242045
  H       2.457406     -2.885327      2.770197
  H      -5.678397     -2.989502      6.232690
  H      -5.571811     -2.159234      4.649511
  H      -7.113168     -2.187591      5.544398
  H      -8.046045     -4.391508      6.220337
  H      -6.543165     -5.334731      6.368434
  H      -7.809283     -5.830601      5.218042
  H      -8.563132     -3.308626      4.004526
  H      -8.003726     -4.639100      3.006638
  H      -7.121603     -1.709434      2.907032
  H      -6.130667     -2.975930      2.181732
  H      -7.613949     -1.757791      0.605009
  H      -9.612449     -1.530532      2.161248
  H      -9.957828     -3.234473      1.869972
  H     -10.141717     -0.889013     -0.061422
  H     -11.290456     -2.197468      0.214682
  H     -10.411367     -2.864642     -1.872857
  H      -8.838559     -2.130151     -1.571582
  H      -9.834794     -4.659814     -0.164592
  H      -8.747302     -4.668514     -1.551008
  H      -6.927507     -3.761525     -0.319699
  H      -7.723636     -4.769361      0.891013
  H      -3.271598     -5.918666      7.840340
  H      -2.669734     -4.386716      7.193231
  H      -4.124810     -5.141039      6.486173
  H      -2.131332     -8.263746      5.358302
  H      -2.519629     -7.970784      7.059272
  H      -3.765521     -7.711867      5.815147
  H      -0.675692     -6.391032      7.398443
  H      -0.167094     -6.700418      5.741097
  H      -0.575242     -3.975917      7.082991
  H      -0.559859     -4.153147      5.320687
  H       1.713781     -5.108657      5.413124
  H       1.569737     -4.541771      8.414621
  H       1.675098     -6.147948      7.676769
  H       3.919837     -5.382729      8.459360
  H       3.893436     -5.598923      6.704801
  H       5.044342     -3.468405      7.273492
  H       3.627717     -2.923308      8.182581
  H       3.623904     -1.893586      5.914074
  H       3.708350     -3.495483      5.167226
  H       1.362862     -2.654054      5.150547
  H       1.404824     -2.460647      6.911852
  N      -3.287071     -2.951551      4.997953
  N      -3.093998     -2.007927      5.978498
  H      -3.891633     -1.337262      6.062199
  H      -2.986315     -2.457858      6.908261
  H      -2.242563     -1.434458      5.819434
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.826171105407
  N      -3.335915     -3.258730      2.019027
  C      -3.622206     -4.009805      0.795623
  C      -3.213914     -5.449718      0.966132
  N      -3.755865     -5.949416      2.242497
  C      -5.188939     -6.293683      2.139183
  C      -5.824333     -6.098061      3.496684
  N      -5.482742     -4.760898      3.995195
  Mo     -3.598597     -4.229767      3.767513
  N      -2.425412     -5.637016      4.578875
  C      -1.820472     -6.489035      3.564737
  C      -2.942722     -7.084948      2.737748
  H      -1.198208     -7.288920      3.991640
  H      -1.150965     -5.897327      2.915652
  H      -3.575946     -7.709074      3.381131
  H      -2.591973     -7.698347      1.889443
  H      -6.911366     -6.225699      3.391732
  H      -5.485207     -6.875165      4.205923
  H      -5.653026     -5.601102      1.424833
  H      -5.311268     -7.322994      1.760036
  H      -3.062380     -3.608317     -0.061186
  H      -4.693502     -3.928855      0.529522
  H      -2.119419     -5.510862      1.023468
  H      -3.555678     -6.084300      0.129065
  C      -3.725095     -1.178270      0.725074
  C      -2.793149     -1.897899      1.722246
  C      -2.708237     -1.003180      2.957709
  C      -1.367166     -2.014460      1.108261
  C      -0.338052     -2.722800      1.986506
  C       0.906224     -3.229120      1.247398
  C       0.632844     -4.403252      0.301216
  C       1.865732     -4.714026     -0.569619
  C       3.188005     -4.430478      0.172398
  C       3.017976     -4.641236      1.676873
  C       1.996361     -3.645241      2.258593
  C      -6.205278     -2.736146      5.277796
  C      -6.637520     -4.036327      4.597289
  C      -7.306067     -4.916628      5.671515
  C      -7.671298     -3.694584      3.490287
  C      -7.163763     -2.713136      2.433061
  C      -8.006583     -2.637730      1.151406
  C      -9.490124     -2.346871      1.399948
  C     -10.213643     -2.000836      0.083761
  C      -9.635252     -2.773778     -1.121163
  C      -9.050708     -4.114512     -0.675999
  C      -7.854699     -3.898439      0.269218
  C      -3.169393     -5.302814      6.936273
  C      -2.297564     -6.121944      5.979189
  C      -2.761704     -7.584928      6.102821
  C      -0.807661     -6.018231      6.418591
  C      -0.204282     -4.617229      6.310607
  C       1.324344     -4.567514      6.335223
  C       1.934260     -5.154877      7.614414
  C       3.463517     -5.075832      7.605835
  C       3.952399     -3.643080      7.382056
  C       3.351060     -3.050434      6.105187
  C       1.824074     -3.132139      6.127195
  H      -4.749812     -1.142673      1.120668
  H      -3.752087     -1.664043     -0.257362
  H      -3.379604     -0.147179      0.568495
  H      -2.380120     -0.003013      2.645064
  H      -1.975178     -1.391272      3.673576
  H      -3.686239     -0.909912      3.448127
  H      -1.435507     -2.519072      0.132853
  H      -1.022091     -0.991950      0.884106
  H      -0.821690     -3.582418      2.485177
  H      -0.005421     -2.052013      2.796197
  H       1.298960     -2.397000      0.634097
  H      -0.238554     -4.209300     -0.341319
  H       0.372087     -5.283644      0.916033
  H       1.831122     -5.767727     -0.886222
  H       1.826578     -4.113406     -1.491284
  H       3.503172     -3.389874     -0.007478
  H       3.991795     -5.065926     -0.226150
  H       2.675638     -5.674243      1.855142
  H       3.980571     -4.546099      2.200264
  H       1.506291     -4.095889      3.136957
  H       2.509687     -2.742332      2.624722
  H      -5.645767     -2.950278      6.198969
  H      -5.586912     -2.123115      4.611174
  H      -7.101884     -2.161443      5.545924
  H      -8.059087     -4.332810      6.219146
  H      -6.558183     -5.272126      6.393959
  H      -7.817554     -5.788664      5.245102
  H      -8.563499     -3.284243      3.989746
  H      -8.008405     -4.627800      3.014370
  H      -7.111375     -1.703894      2.872795
  H      -6.128648     -2.982852      2.162853
  H      -7.608980     -1.784722      0.572450
  H      -9.606899     -1.525911      2.124690
  H      -9.957382     -3.231126      1.863740
  H     -10.138235     -0.919236     -0.106384
  H     -11.286700     -2.220860      0.190269
  H     -10.409435     -2.917811     -1.888305
  H      -8.837401     -2.181852     -1.599078
  H      -9.834839     -4.692307     -0.159590
  H      -8.745819     -4.720311     -1.541912
  H      -6.925318     -3.803911     -0.316352
  H      -7.729160     -4.790574      0.903699
  H      -3.280951     -5.845156      7.884421
  H      -2.708219     -4.335919      7.172064
  H      -4.168879     -5.128967      6.516881
  H      -2.206942     -8.262008      5.441839
  H      -2.603342     -7.934298      7.132853
  H      -3.833510     -7.672554      5.874235
  H      -0.728428     -6.392065      7.451945
  H      -0.216199     -6.716607      5.804054
  H      -0.580057     -3.979157      7.131656
  H      -0.557296     -4.159932      5.371338
  H       1.690344     -5.174226      5.483592
  H       1.543669     -4.587432      8.479632
  H       1.611115     -6.197636      7.752560
  H       3.871131     -5.482265      8.543665
  H       3.849483     -5.716941      6.793833
  H       5.051556     -3.612296      7.342420
  H       3.651361     -3.020256      8.242883
  H       3.679246     -2.008707      5.968289
  H       3.724345     -3.614861      5.232726
  H       1.401636     -2.719585      5.196754
  H       1.438965     -2.506503      6.954463
  N      -3.258138     -2.937805      5.008277
  N      -3.051605     -1.994367      5.985289
  H      -3.842585     -1.317536      6.078309
  H      -2.938472     -2.442296      6.915759
  H      -2.196725     -1.428615      5.819804
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.827408760699
  N      -3.318830     -3.265868      2.023561
  C      -3.604425     -4.006395      0.793435
  C      -3.190274     -5.446485      0.952206
  N      -3.739250     -5.962550      2.219953
  C      -5.171753     -6.310474      2.108167
  C      -5.815197     -6.123967      3.465105
  N      -5.480665     -4.787721      3.968512
  Mo     -3.601017     -4.238545      3.766955
  N      -2.442382     -5.661623      4.565882
  C      -1.814578     -6.501288      3.556856
  C      -2.924007     -7.098396      2.711905
  H      -1.194125     -7.294793      3.997008
  H      -1.134360     -5.906795      2.920224
  H      -3.557301     -7.735148      3.342729
  H      -2.561691     -7.700452      1.860090
  H      -6.901638     -6.255415      3.356190
  H      -5.475516     -6.903620      4.171561
  H      -5.638666     -5.617643      1.395830
  H      -5.289170     -7.338144      1.722250
  H      -3.048589     -3.594463     -0.060872
  H      -4.676330     -3.930197      0.527063
  H      -2.095286     -5.502480      1.013934
  H      -3.523461     -6.073240      0.105438
  C      -3.684812     -1.168391      0.736631
  C      -2.765512     -1.903509      1.736409
  C      -2.674333     -1.010689      2.972198
  C      -1.339078     -2.039451      1.132598
  C      -0.329902     -2.751911      2.028680
  C       0.919840     -3.273302      1.312119
  C       0.642800     -4.441045      0.359882
  C       1.886243     -4.776385     -0.486511
  C       3.199562     -4.515703      0.279398
  C       2.998921     -4.721221      1.780668
  C       1.983833     -3.707916      2.343129
  C      -6.210358     -2.785009      5.288302
  C      -6.639039     -4.072910      4.584242
  C      -7.308414     -4.969868      5.644160
  C      -7.672857     -3.714037      3.482005
  C      -7.173674     -2.706837      2.445598
  C      -8.022294     -2.607509      1.169152
  C      -9.506080     -2.330876      1.430971
  C     -10.238033     -1.959560      0.126441
  C      -9.659035     -2.698346     -1.099193
  C      -9.064089     -4.045803     -0.689991
  C      -7.867511     -3.847369      0.258122
  C      -3.183081     -5.330038      6.925887
  C      -2.296235     -6.133070      5.971424
  C      -2.735948     -7.604462      6.107602
  C      -0.809355     -5.998797      6.404272
  C      -0.237023     -4.585555      6.294219
  C       1.291033     -4.510047      6.284115
  C       1.939532     -5.093387      7.545743
  C       3.466635     -4.992939      7.500633
  C       3.931593     -3.554202      7.266062
  C       3.289197     -2.964868      6.008040
  C       1.764617     -3.067264      6.068212
  H      -4.709343     -1.115050      1.131664
  H      -3.719025     -1.654639     -0.245849
  H      -3.322649     -0.143025      0.578454
  H      -2.326506     -0.016409      2.659691
  H      -1.952957     -1.408913      3.694974
  H      -3.653770     -0.897992      3.455386
  H      -1.405617     -2.553058      0.161479
  H      -0.978493     -1.023881      0.898785
  H      -0.826210     -3.606549      2.525311
  H      -0.004975     -2.080141      2.841182
  H       1.337501     -2.445756      0.708531
  H      -0.212043     -4.229235     -0.299923
  H       0.349412     -5.316187      0.968621
  H       1.837573     -5.830097     -0.802593
  H       1.875897     -4.177706     -1.410695
  H       3.537825     -3.481083      0.103492
  H       3.999212     -5.165919     -0.104341
  H       2.636985     -5.748734      1.954577
  H       3.953527     -4.641845      2.321837
  H       1.470738     -4.149001      3.214244
  H       2.505059     -2.812922      2.719105
  H      -5.627408     -3.015761      6.190458
  H      -5.618344     -2.140212      4.627662
  H      -7.110787     -2.234068      5.594298
  H      -8.073347     -4.400237      6.190579
  H      -6.563787     -5.324510      6.371093
  H      -7.806480     -5.843505      5.204131
  H      -8.570721     -3.322124      3.987000
  H      -8.003473     -4.639596      2.985967
  H      -7.123794     -1.707146      2.907472
  H      -6.138232     -2.964823      2.164489
  H      -7.631877     -1.739283      0.607525
  H      -9.624086     -1.526546      2.174575
  H      -9.966902     -3.227251      1.878931
  H     -10.172857     -0.872722     -0.038243
  H     -11.309341     -2.190078      0.232333
  H     -10.435719     -2.828374     -1.866801
  H      -8.867750     -2.088726     -1.566793
  H      -9.843675     -4.642679     -0.187470
  H      -8.757504     -4.627970     -1.571824
  H      -6.937966     -3.736674     -0.325163
  H      -7.737895     -4.753907      0.871834
  H      -3.245323     -5.853238      7.889842
  H      -2.761063     -4.339175      7.130874
  H      -4.199135     -5.212938      6.526554
  H      -2.169303     -8.278869      5.453257
  H      -2.575232     -7.945172      7.140435
  H      -3.805775     -7.710176      5.876267
  H      -0.713371     -6.377211      7.434752
  H      -0.205833     -6.681390      5.782846
  H      -0.606623     -3.957824      7.126699
  H      -0.618024     -4.128422      5.365169
  H       1.646482     -5.107852      5.420941
  H       1.561436     -4.536047      8.423746
  H       1.633754     -6.141297      7.687526
  H       3.902363     -5.393632      8.428662
  H       3.842982     -5.630442      6.680587
  H       5.029155     -3.510855      7.195702
  H       3.649813     -2.935738      8.137185
  H       3.600349     -1.918046      5.867459
  H       3.648287     -3.519511      5.122860
  H       1.312620     -2.660090      5.148633
  H       1.391046     -2.447023      6.905543
  N      -3.239080     -2.948015      5.002942
  N      -3.041217     -2.005063      5.984756
  H      -3.842630     -1.341031      6.091650
  H      -2.910278     -2.455317      6.913418
  H      -2.195114     -1.426143      5.814612
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.828473322175
  N      -3.312996     -3.256646      2.037843
  C      -3.624735     -3.990200      0.807009
  C      -3.206411     -5.431499      0.950215
  N      -3.745588     -5.959547      2.219032
  C      -5.180963     -6.307260      2.115813
  C      -5.820080     -6.119759      3.476908
  N      -5.478359     -4.783110      3.980932
  Mo     -3.598599     -4.229077      3.782869
  N      -2.460626     -5.677828      4.565470
  C      -1.818278     -6.506060      3.553783
  C      -2.924142     -7.098387      2.697980
  H      -1.202596     -7.300582      3.999547
  H      -1.128929     -5.910487      2.927110
  H      -3.553109     -7.746820      3.321561
  H      -2.558054     -7.689112      1.840097
  H      -6.906951     -6.249595      3.370522
  H      -5.478759     -6.901806      4.180244
  H      -5.653628     -5.614794      1.406701
  H      -5.303358     -7.334143      1.729790
  H      -3.088563     -3.574000     -0.057534
  H      -4.701975     -3.916243      0.561714
  H      -2.110342     -5.484367      1.002026
  H      -3.544288     -6.050178      0.099431
  C      -3.694685     -1.159070      0.749713
  C      -2.762428     -1.892490      1.739308
  C      -2.648686     -0.989773      2.966113
  C      -1.345880     -2.041434      1.118323
  C      -0.329735     -2.739782      2.018236
  C       0.917811     -3.269165      1.304035
  C       0.634258     -4.446187      0.365230
  C       1.875738     -4.799854     -0.477643
  C       3.191425     -4.535271      0.283793
  C       2.991544     -4.721692      1.787920
  C       1.981536     -3.696500      2.339116
  C      -6.192621     -2.776477      5.302271
  C      -6.633556     -4.062191      4.600229
  C      -7.310721     -4.950338      5.662402
  C      -7.661989     -3.700128      3.494305
  C      -7.156787     -2.698285      2.455002
  C      -7.997744     -2.609415      1.171987
  C      -9.484483     -2.336831      1.423603
  C     -10.210746     -1.976748      0.112132
  C      -9.619135     -2.718500     -1.106150
  C      -9.021894     -4.062080     -0.686406
  C      -7.833242     -3.855769      0.270926
  C      -3.202489     -5.381664      6.932967
  C      -2.302205     -6.157691      5.966649
  C      -2.725036     -7.637820      6.082443
  C      -0.819807     -6.013475      6.398060
  C      -0.266565     -4.590354      6.313658
  C       1.261476     -4.499917      6.282893
  C       1.930623     -5.100448      7.526063
  C       3.456652     -4.988531      7.463894
  C       3.909231     -3.542782      7.247215
  C       3.245962     -2.935440      6.008463
  C       1.722275     -3.049695      6.085479
  H      -4.710866     -1.091550      1.165183
  H      -3.753547     -1.655972     -0.226936
  H      -3.325531     -0.139040      0.573538
  H      -2.296446     -0.001643      2.638019
  H      -1.921864     -1.385945      3.685141
  H      -3.622024     -0.862815      3.459336
  H      -1.426501     -2.577295      0.160083
  H      -0.984147     -1.032781      0.856643
  H      -0.819405     -3.589162      2.530629
  H      -0.002845     -2.054520      2.819193
  H       1.336650     -2.447947      0.692340
  H      -0.218816     -4.234981     -0.297710
  H       0.332718     -5.312090      0.983888
  H       1.821296     -5.857998     -0.778868
  H       1.867930     -4.214371     -1.410640
  H       3.535124     -3.504385      0.094488
  H       3.987516     -5.194706     -0.092503
  H       2.625800     -5.745859      1.974774
  H       3.947656     -4.639411      2.326722
  H       1.467521     -4.123721      3.217721
  H       2.507580     -2.798629      2.702799
  H      -5.586135     -3.011028      6.188434
  H      -5.619643     -2.120729      4.634174
  H      -7.088860     -2.233897      5.635677
  H      -8.082267     -4.376705      6.195328
  H      -6.572632     -5.296500      6.400818
  H      -7.802349     -5.830091      5.226230
  H      -8.562346     -3.305786      3.993189
  H      -7.990873     -4.627283      2.998420
  H      -7.110012     -1.695178      2.910589
  H      -6.119580     -2.957855      2.180833
  H      -7.606940     -1.743448      0.606915
  H      -9.609101     -1.526910      2.160753
  H      -9.945018     -3.231544      1.875829
  H     -10.151709     -0.890038     -0.057943
  H     -11.281529     -2.213762      0.212412
  H     -10.390521     -2.856167     -1.878266
  H      -8.827516     -2.107293     -1.571873
  H      -9.803692     -4.660435     -0.188337
  H      -8.705730     -4.646181     -1.564008
  H      -6.898217     -3.748502     -0.304867
  H      -7.708484     -4.758011      0.892797
  H      -3.227318     -5.903753      7.899823
  H      -2.815414     -4.375519      7.130476
  H      -4.228438     -5.304151      6.549979
  H      -2.147991     -8.298660      5.421567
  H      -2.566531     -7.991189      7.111490
  H      -3.792548     -7.750825      5.842453
  H      -0.715705     -6.414496      7.419020
  H      -0.207439     -6.672843      5.758910
  H      -0.631258     -3.985572      7.165543
  H      -0.664875     -4.117032      5.400028
  H       1.609651     -5.079662      5.403907
  H       1.559417     -4.563086      8.419786
  H       1.634299     -6.153646      7.651665
  H       3.906045     -5.399175      8.381548
  H       3.828581     -5.611831      6.630666
  H       5.005764     -3.492831      7.159951
  H       3.639240     -2.940356      8.133626
  H       3.547989     -1.883370      5.884787
  H       3.599139     -3.469879      5.108335
  H       1.256910     -2.633256      5.175966
  H       1.354374     -2.443757      6.936022
  N      -3.200059     -2.937961      5.001994
  N      -3.010717     -1.982368      5.978615
  H      -3.827184     -1.337892      6.101154
  H      -2.847064     -2.424382      6.907177
  H      -2.181161     -1.385877      5.787381
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.829427871523
  N      -3.290450     -3.268874      2.033461
  C      -3.613692     -4.006493      0.802505
  C      -3.190879     -5.448646      0.941331
  N      -3.729006     -5.983243      2.210135
  C      -5.165566     -6.335846      2.104189
  C      -5.811438     -6.143206      3.463284
  N      -5.472266     -4.802160      3.969356
  Mo     -3.588820     -4.238615      3.782462
  N      -2.474783     -5.704587      4.571722
  C      -1.809412     -6.529081      3.564409
  C      -2.902277     -7.121906      2.688763
  H      -1.201783     -7.324236      4.019591
  H      -1.109571     -5.932751      2.950367
  H      -3.531595     -7.780721      3.301384
  H      -2.521086     -7.703704      1.831811
  H      -6.896973     -6.278754      3.352527
  H      -5.467147     -6.922731      4.168212
  H      -5.638558     -5.647925      1.390762
  H      -5.287091     -7.364311      1.723360
  H      -3.089230     -3.592030     -0.069594
  H      -4.693203     -3.937750      0.568324
  H      -2.094458     -5.495763      0.994706
  H      -3.524414     -6.063763      0.086554
  C      -3.684300     -1.174576      0.737193
  C      -2.744012     -1.904127      1.721696
  C      -2.625692     -0.994168      2.943413
  C      -1.329195     -2.055987      1.094724
  C      -0.307192     -2.741446      2.000278
  C       0.946962     -3.267915      1.293997
  C       0.672995     -4.448464      0.356098
  C       1.922637     -4.805070     -0.474707
  C       3.231473     -4.535499      0.297768
  C       3.017869     -4.719010      1.800876
  C       2.002596     -3.691701      2.339953
  C      -6.183452     -2.811063      5.312672
  C      -6.629514     -4.088355      4.596015
  C      -7.307559     -4.985350      5.648918
  C      -7.660489     -3.712064      3.496836
  C      -7.160708     -2.697898      2.465919
  C      -8.011943     -2.591098      1.190012
  C      -9.495938     -2.316959      1.459444
  C     -10.233711     -1.936629      0.159272
  C      -9.653110     -2.662081     -1.074651
  C      -9.058940     -4.014802     -0.678766
  C      -7.861721     -3.827916      0.273235
  C      -3.228392     -5.377821      6.924653
  C      -2.315431     -6.167231      5.977159
  C      -2.738748     -7.647936      6.112337
  C      -0.838848     -6.014098      6.415910
  C      -0.293036     -4.586792      6.328744
  C       1.235247     -4.490795      6.285803
  C       1.913202     -5.081574      7.529626
  C       3.439253     -4.967421      7.458112
  C       3.887392     -3.521336      7.230509
  C       3.215259     -2.922078      5.991962
  C       1.691393     -3.039628      6.077638
  H      -4.695560     -1.099347      1.164138
  H      -3.757264     -1.678298     -0.234978
  H      -3.310966     -0.157855      0.550933
  H      -2.271477     -0.009310      2.607557
  H      -1.899766     -1.387731      3.665136
  H      -3.599918     -0.861420      3.435324
  H      -1.413988     -2.609686      0.146971
  H      -0.969534     -1.051518      0.814999
  H      -0.790618     -3.590057      2.518436
  H       0.013720     -2.045695      2.794909
  H       1.367763     -2.446135      0.684556
  H      -0.172631     -4.237016     -0.316484
  H       0.364472     -5.312279      0.974250
  H       1.872355     -5.865173     -0.770195
  H       1.922597     -4.224116     -1.410624
  H       3.575507     -3.504566      0.109074
  H       4.031305     -5.196236     -0.068671
  H       2.650704     -5.743018      1.986025
  H       3.969646     -4.633890      2.347154
  H       1.480381     -4.116106      3.215496
  H       2.526123     -2.792308      2.704066
  H      -5.556487     -3.057537      6.182008
  H      -5.627300     -2.137945      4.646399
  H      -7.077054     -2.282217      5.674370
  H      -8.088041     -4.417974      6.175418
  H      -6.573743     -5.328545      6.393326
  H      -7.787581     -5.868291      5.205705
  H      -8.560157     -3.324540      4.002005
  H      -7.987132     -4.634627      2.990251
  H      -7.110351     -1.700139      2.933246
  H      -6.126285     -2.956458      2.181229
  H      -7.623731     -1.719522      0.632017
  H      -9.609295     -1.514987      2.207363
  H      -9.955400     -3.215915      1.904136
  H     -10.174664     -0.847561      0.004331
  H     -11.303767     -2.175028      0.265175
  H     -10.431415     -2.786897     -1.842234
  H      -8.862457     -2.047129     -1.537120
  H      -9.840186     -4.616965     -0.184394
  H      -8.751026     -4.585604     -1.568173
  H      -6.930266     -3.720659     -0.308516
  H      -7.740326     -4.737935      0.884421
  H      -3.235911     -5.868601      7.908378
  H      -2.869542     -4.354356      7.085559
  H      -4.256895     -5.338887      6.543040
  H      -2.153654     -8.321299      5.470871
  H      -2.594504     -7.982839      7.149595
  H      -3.803067     -7.763934      5.858777
  H      -0.739821     -6.412355      7.438229
  H      -0.217463     -6.669141      5.780268
  H      -0.654572     -3.984908      7.183980
  H      -0.699396     -4.116847      5.417360
  H       1.578840     -5.074605      5.407720
  H       1.546014     -4.540344      8.422559
  H       1.620878     -6.135496      7.661231
  H       3.893497     -5.368837      8.377815
  H       3.808750     -5.595994      6.627891
  H       4.983372     -3.471547      7.132935
  H       3.624330     -2.914384      8.115908
  H       3.513145     -1.869051      5.863987
  H       3.566224     -3.459105      5.092629
  H       1.222237     -2.631986      5.165516
  H       1.326549     -2.427863      6.925140
  N      -3.172036     -2.939308      4.984685
  N      -3.017497     -1.957671      5.949261
  H      -3.858473     -1.343980      6.070065
  H      -2.826446     -2.378740      6.881721
  H      -2.212269     -1.336534      5.737681
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.830284628698
  N      -3.290207     -3.253300      2.049413
  C      -3.628568     -3.991519      0.820161
  C      -3.199581     -5.433579      0.947119
  N      -3.729186     -5.977474      2.215370
  C      -5.164692     -6.334473      2.113691
  C      -5.809674     -6.141450      3.473535
  N      -5.472848     -4.799965      3.984145
  Mo     -3.587540     -4.225182      3.800722
  N      -2.491491     -5.711080      4.583890
  C      -1.812947     -6.528538      3.574775
  C      -2.897071     -7.116280      2.685343
  H      -1.212765     -7.328999      4.030178
  H      -1.107514     -5.927845      2.972401
  H      -3.525522     -7.786013      3.287305
  H      -2.505924     -7.685709      1.824977
  H      -6.894695     -6.279717      3.362347
  H      -5.460627     -6.919515      4.177851
  H      -5.639863     -5.649530      1.398738
  H      -5.285487     -7.364182      1.736907
  H      -3.118146     -3.574443     -0.058780
  H      -4.711512     -3.925749      0.603399
  H      -2.102674     -5.475820      0.997475
  H      -3.533613     -6.043057      0.088720
  C      -3.688514     -1.153648      0.760047
  C      -2.741749     -1.891240      1.731192
  C      -2.610320     -0.987535      2.956699
  C      -1.332934     -2.048412      1.090881
  C      -0.303495     -2.730364      1.991874
  C       0.945598     -3.263479      1.281299
  C       0.663150     -4.446745      0.349149
  C       1.909276     -4.815229     -0.482236
  C       3.221275     -4.548130      0.285986
  C       3.009736     -4.724418      1.790609
  C       2.002375     -3.687715      2.326716
  C      -6.192024     -2.814669      5.330146
  C      -6.633877     -4.090031      4.606762
  C      -7.318199     -4.990863      5.651276
  C      -7.659471     -3.712832      3.503642
  C      -7.158508     -2.693333      2.478301
  C      -7.996677     -2.594606      1.192954
  C      -9.486504     -2.335278      1.446291
  C     -10.213688     -1.961123      0.137964
  C      -9.609384     -2.677106     -1.090285
  C      -9.007582     -4.025519     -0.690106
  C      -7.824356     -3.829859      0.278345
  C      -3.239234     -5.381775      6.934370
  C      -2.324877     -6.171249      5.987688
  C      -2.746442     -7.652278      6.122287
  C      -0.848203     -6.018526      6.425317
  C      -0.303252     -4.589032      6.351793
  C       1.224030     -4.493597      6.286489
  C       1.919155     -5.096388      7.515179
  C       3.444438     -4.983973      7.423119
  C       3.891021     -3.535942      7.202718
  C       3.201447     -2.923620      5.979800
  C       1.678522     -3.040864      6.085054
  H      -4.693245     -1.070618      1.200301
  H      -3.779019     -1.654128     -0.211799
  H      -3.307554     -0.140007      0.572441
  H      -2.249222     -0.004194      2.624325
  H      -1.885730     -1.391551      3.674046
  H      -3.582939     -0.849507      3.450994
  H      -1.429423     -2.612255      0.150388
  H      -0.973151     -1.047751      0.799009
  H      -0.784547     -3.575229      2.517071
  H       0.024537     -2.029579      2.779072
  H       1.366751     -2.445389      0.667556
  H      -0.181421     -4.231588     -0.323530
  H       0.350187     -5.305507      0.971642
  H       1.853270     -5.877098     -0.769652
  H       1.910133     -4.240299     -1.421631
  H       3.569553     -3.519787      0.092474
  H       4.016516     -5.215244     -0.078643
  H       2.636148     -5.745123      1.980112
  H       3.963393     -4.642064      2.333779
  H       1.479612     -4.103450      3.205675
  H       2.533451     -2.789940      2.683053
  H      -5.555175     -3.063879      6.191478
  H      -5.645487     -2.133405      4.663876
  H      -7.085969     -2.294364      5.702795
  H      -8.111111     -4.427759      6.163530
  H      -6.593673     -5.326697      6.407778
  H      -7.783412     -5.878974      5.203214
  H      -8.564232     -3.331513      4.003956
  H      -7.975155     -4.636319      2.991945
  H      -7.123506     -1.695038      2.945724
  H      -6.119013     -2.942370      2.205012
  H      -7.611161     -1.719029      0.639713
  H      -9.615093     -1.534474      2.192784
  H      -9.941692     -3.239275      1.884470
  H     -10.166285     -0.871239     -0.014020
  H     -11.281473     -2.214174      0.230341
  H     -10.376521     -2.808267     -1.867846
  H      -8.818618     -2.053387     -1.540096
  H      -9.789528     -4.636243     -0.208026
  H      -8.682011     -4.589266     -1.577561
  H      -6.886813     -3.715832     -0.291778
  H      -7.705223     -4.738536      0.891738
  H      -3.225803     -5.855497      7.926448
  H      -2.904705     -4.346591      7.067738
  H      -4.272270     -5.371909      6.563194
  H      -2.155667     -8.325358      5.486028
  H      -2.608948     -7.983851      7.161496
  H      -3.808377     -7.770037      5.860346
  H      -0.748152     -6.426752      7.443546
  H      -0.225940     -6.664456      5.781784
  H      -0.651923     -4.001862      7.222044
  H      -0.723396     -4.106331      5.453847
  H       1.553134     -5.069665      5.398212
  H       1.565645     -4.562975      8.417821
  H       1.627875     -6.151407      7.639770
  H       3.910130     -5.392696      8.333731
  H       3.801466     -5.605343      6.582477
  H       4.985283     -3.487594      7.087274
  H       3.643168     -2.937734      8.098018
  H       3.497414     -1.869132      5.860247
  H       3.539767     -3.451119      5.070376
  H       1.199246     -2.625758      5.181675
  H       1.325908     -2.435859      6.942111
  N      -3.148349     -2.925065      4.987738
  N      -3.034615     -1.915662      5.935882
  H      -3.904319     -1.344508      6.059879
  H      -2.806663     -2.310136      6.870206
  H      -2.265521     -1.262388      5.695505
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.831242875624
  N      -3.284030     -3.249379      2.044683
  C      -3.626584     -3.997304      0.821591
  C      -3.186013     -5.436169      0.945121
  N      -3.711971     -5.984680      2.211114
  C      -5.143753     -6.349822      2.107873
  C      -5.793489     -6.153461      3.464039
  N      -5.467626     -4.810224      3.976832
  Mo     -3.581926     -4.218272      3.801485
  N      -2.501212     -5.715029      4.593216
  C      -1.806744     -6.529852      3.589741
  C      -2.875320     -7.118164      2.684197
  H      -1.214182     -7.333797      4.048619
  H      -1.096570     -5.923395      3.000107
  H      -3.506161     -7.796335      3.274317
  H      -2.467153     -7.678309      1.825841
  H      -6.877092     -6.298197      3.349971
  H      -5.438513     -6.925340      4.172250
  H      -5.618277     -5.672989      1.384927
  H      -5.258015     -7.383502      1.740297
  H      -3.126393     -3.578451     -0.062526
  H      -4.711821     -3.938396      0.617852
  H      -2.088957     -5.469857      0.999351
  H      -3.514103     -6.045269      0.084250
  C      -3.681237     -1.165092      0.737125
  C      -2.732275     -1.894417      1.710516
  C      -2.594906     -0.981862      2.928609
  C      -1.326928     -2.057287      1.063363
  C      -0.287095     -2.718599      1.968455
  C       0.961040     -3.256772      1.259741
  C       0.682055     -4.457759      0.349363
  C       1.927695     -4.834660     -0.479046
  C       3.240636     -4.545637      0.279263
  C       3.035031     -4.697178      1.787668
  C       2.025279     -3.655212      2.308151
  C      -6.183588     -2.836877      5.328677
  C      -6.629614     -4.108476      4.601410
  C      -7.309776     -5.014584      5.643992
  C      -7.661496     -3.724960      3.506308
  C      -7.167302     -2.697737      2.485314
  C      -8.012055     -2.589226      1.205273
  C      -9.499906     -2.327750      1.468490
  C     -10.232885     -1.941886      0.166613
  C      -9.634069     -2.647278     -1.070246
  C      -9.035428     -4.001503     -0.684771
  C      -7.848264     -3.818102      0.281728
  C      -3.246001     -5.369025      6.938761
  C      -2.334556     -6.167245      5.998040
  C      -2.757477     -7.645970      6.135582
  C      -0.857316     -6.018123      6.439782
  C      -0.307795     -4.588933      6.379913
  C       1.218508     -4.499410      6.304137
  C       1.919290     -5.117309      7.521918
  C       3.444467     -5.011459      7.420835
  C       3.895960     -3.562933      7.212746
  C       3.200537     -2.934438      6.001204
  C       1.677785     -3.046997      6.113998
  H      -4.683197     -1.073973      1.181350
  H      -3.779228     -1.674361     -0.229003
  H      -3.296167     -0.155065      0.538821
  H      -2.227357     -0.002881      2.590998
  H      -1.873501     -1.388547      3.647414
  H      -3.568490     -0.835706      3.418295
  H      -1.429869     -2.640449      0.135651
  H      -0.973453     -1.060948      0.751203
  H      -0.762068     -3.556955      2.508766
  H       0.042949     -2.002817      2.740837
  H       1.373289     -2.446991      0.629584
  H      -0.164842     -4.257972     -0.324779
  H       0.376525     -5.306877      0.987877
  H       1.877759     -5.902280     -0.744340
  H       1.921606     -4.277946     -1.428975
  H       3.580697     -3.518569      0.067368
  H       4.038372     -5.214388     -0.076109
  H       2.665903     -5.715678      1.995387
  H       3.990059     -4.600438      2.325481
  H       1.508201     -4.055556      3.196630
  H       2.554767     -2.748914      2.643098
  H      -5.532575     -3.090894      6.177876
  H      -5.647897     -2.152636      4.656305
  H      -7.072167     -2.319079      5.715905
  H      -8.107198     -4.455238      6.153331
  H      -6.586296     -5.346949      6.402609
  H      -7.768342     -5.905045      5.195045
  H      -8.562882     -3.346999      4.014606
  H      -7.977466     -4.646056      2.991209
  H      -7.132618     -1.702631      2.959139
  H      -6.128930     -2.943374      2.205923
  H      -7.627623     -1.710677      0.656311
  H      -9.621777     -1.532254      2.221198
  H      -9.954599     -3.234432      1.900831
  H     -10.185931     -0.851003      0.024154
  H     -11.299716     -2.196993      0.261047
  H     -10.403572     -2.769010     -1.846647
  H      -8.842054     -2.022048     -1.514926
  H      -9.817626     -4.613757     -0.205907
  H      -8.713906     -4.556392     -1.578912
  H      -6.913166     -3.704700     -0.291822
  H      -7.732271     -4.730874      0.889001
  H      -3.220525     -5.822285      7.939842
  H      -2.928120     -4.325364      7.038089
  H      -4.282196     -5.380434      6.574890
  H      -2.158769     -8.320422      5.508940
  H      -2.630666     -7.970254      7.178382
  H      -3.815884     -7.766059      5.862131
  H      -0.762847     -6.431993      7.456291
  H      -0.234441     -6.660670      5.794571
  H      -0.648350     -4.014710      7.261270
  H      -0.734311     -4.093140      5.492311
  H       1.537757     -5.068876      5.408494
  H       1.574471     -4.590220      8.431047
  H       1.624225     -6.172083      7.637242
  H       3.913457     -5.430961      8.324467
  H       3.792402     -5.624762      6.570959
  H       4.989228     -3.518442      7.088975
  H       3.656646     -2.974200      8.116118
  H       3.498685     -1.879618      5.892768
  H       3.530893     -3.453123      5.084241
  H       1.196688     -2.620742      5.217345
  H       1.332837     -2.449633      6.978992
  N      -3.144443     -2.916955      4.979785
  N      -3.107881     -1.870365      5.901453
  H      -4.015771     -1.360301      6.008522
  H      -2.852585     -2.221961      6.843667
  H      -2.387132     -1.176016      5.633421
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.832194853289
  N      -3.301553     -3.223890      2.067331
  C      -3.650867     -3.975753      0.849162
  C      -3.205052     -5.413932      0.963934
  N      -3.726319     -5.969127      2.226743
  C      -5.155899     -6.333921      2.128328
  C      -5.802430     -6.136161      3.484751
  N      -5.481471     -4.795397      4.000091
  Mo     -3.593022     -4.197593      3.824063
  N      -2.523124     -5.704575      4.618285
  C      -1.829740     -6.519956      3.614349
  C      -2.891099     -7.101782      2.699538
  H      -1.242474     -7.330199      4.068312
  H      -1.118867     -5.907855      3.032382
  H      -3.526059     -7.784109      3.280204
  H      -2.473736     -7.654986      1.840916
  H      -6.886325     -6.280358      3.372136
  H      -5.443824     -6.905290      4.194342
  H      -5.629945     -5.661317      1.401389
  H      -5.270122     -7.370291      1.767712
  H      -3.159808     -3.552741     -0.038025
  H      -4.738561     -3.918043      0.660216
  H      -2.108017     -5.445213      1.017680
  H      -3.533278     -6.018537      0.099711
  C      -3.677161     -1.136756      0.761036
  C      -2.737577     -1.877059      1.734780
  C      -2.602099     -0.975718      2.961368
  C      -1.330365     -2.039835      1.091110
  C      -0.294047     -2.712278      1.991951
  C       0.956941     -3.238720      1.279252
  C       0.684056     -4.423264      0.346125
  C       1.934270     -4.782665     -0.482938
  C       3.243104     -4.504414      0.285598
  C       3.031126     -4.684101      1.790013
  C       2.018829     -3.652213      2.324150
  C      -6.207527     -2.813689      5.326622
  C      -6.646394     -4.093122      4.610421
  C      -7.330914     -4.991752      5.657645
  C      -7.674563     -3.722128      3.507273
  C      -7.177868     -2.699647      2.482982
  C      -8.003605     -2.614728      1.189548
  C      -9.498345     -2.368345      1.425966
  C     -10.214119     -2.005061      0.108243
  C      -9.584329     -2.712697     -1.111301
  C      -8.977086     -4.056554     -0.703833
  C      -7.809819     -3.850289      0.282071
  C      -3.224863     -5.326511      6.970076
  C      -2.344530     -6.148649      6.023564
  C      -2.783617     -7.619473      6.175369
  C      -0.857517     -6.018749      6.447019
  C      -0.288811     -4.596802      6.387583
  C       1.235989     -4.530830      6.281311
  C       1.951188     -5.175259      7.476325
  C       3.475303     -5.093546      7.344876
  C       3.946599     -3.650030      7.146506
  C       3.236537     -2.994079      5.958538
  C       1.714946     -3.084277      6.100556
  H      -4.681658     -1.045086      1.198726
  H      -3.771334     -1.636639     -0.209960
  H      -3.286013     -0.126925      0.574423
  H      -2.216121      0.001567      2.640746
  H      -1.897212     -1.404122      3.684358
  H      -3.582202     -0.821901      3.434740
  H      -1.434035     -2.614357      0.158481
  H      -0.974451     -1.041194      0.790439
  H      -0.774207     -3.558202      2.516411
  H       0.033513     -2.008234      2.775336
  H       1.369490     -2.418147      0.663607
  H      -0.159614     -4.212550     -0.328213
  H       0.378928     -5.284603      0.967633
  H       1.888496     -5.845709     -0.765670
  H       1.930735     -4.209631     -1.422806
  H       3.580346     -3.472551      0.095004
  H       4.043792     -5.164294     -0.078694
  H       2.660744     -5.705930      1.976662
  H       3.983348     -4.596602      2.333688
  H       1.499709     -4.067230      3.203641
  H       2.547012     -2.751456      2.674293
  H      -5.555566     -3.058824      6.177052
  H      -5.674381     -2.140128      4.641234
  H      -7.095542     -2.290262      5.705979
  H      -8.134731     -4.430121      6.154132
  H      -6.613092     -5.313584      6.425596
  H      -7.782381     -5.888254      5.214631
  H      -8.579527     -3.344024      4.008471
  H      -7.982136     -4.648960      2.998064
  H      -7.163206     -1.699272      2.946117
  H      -6.132257     -2.934804      2.222549
  H      -7.620609     -1.737221      0.638035
  H      -9.641988     -1.567339      2.168284
  H      -9.948503     -3.276829      1.858743
  H     -10.180396     -0.915231     -0.043478
  H     -11.278129     -2.275793      0.186589
  H     -10.337186     -2.849207     -1.901034
  H      -8.790661     -2.082156     -1.544744
  H      -9.760393     -4.673499     -0.233612
  H      -8.632552     -4.614155     -1.587260
  H      -6.866825     -3.732347     -0.276807
  H      -7.695035     -4.755005      0.901100
  H      -3.183600     -5.760069      7.978613
  H      -2.899324     -4.282773      7.029162
  H      -4.269433     -5.337180      6.628152
  H      -2.193534     -8.303135      5.551385
  H      -2.654959     -7.935140      7.220463
  H      -3.843932     -7.731961      5.907671
  H      -0.758686     -6.434175      7.462440
  H      -0.251938     -6.669603      5.794855
  H      -0.603524     -4.029232      7.281901
  H      -0.727910     -4.084470      5.515258
  H       1.527018     -5.095247      5.373032
  H       1.633986     -4.652178      8.397362
  H       1.640854     -6.225967      7.585202
  H       3.955321     -5.533323      8.232480
  H       3.794075     -5.699575      6.478775
  H       5.037326     -3.621216      7.000664
  H       3.734028     -3.070642      8.062176
  H       3.548358     -1.942724      5.858507
  H       3.538957     -3.505832      5.028431
  H       1.223743     -2.636373      5.220954
  H       1.397257     -2.494767      6.980850
  N      -3.150378     -2.898839      5.002719
  N      -3.195980     -1.812355      5.886754
  H      -4.138992     -1.369279      5.970937
  H      -2.917082     -2.109525      6.838702
  H      -2.528836     -1.082169      5.580819
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.832911358564
  N      -3.307896     -3.198737      2.075906
  C      -3.646249     -3.950639      0.857067
  C      -3.183554     -5.383225      0.966366
  N      -3.705223     -5.951003      2.221121
  C      -5.130254     -6.326001      2.119074
  C      -5.779078     -6.138761      3.475072
  N      -5.477236     -4.797871      3.992534
  Mo     -3.593575     -4.182516      3.826748
  N      -2.515640     -5.681603      4.622944
  C      -1.814854     -6.488841      3.620801
  C      -2.864025     -7.075556      2.697121
  H      -1.222932     -7.296413      4.073304
  H      -1.106941     -5.866088      3.045696
  H      -3.497784     -7.766042      3.269174
  H      -2.434107     -7.621266      1.839559
  H      -6.861760     -6.293845      3.363078
  H      -5.412103     -6.904857      4.183832
  H      -5.609561     -5.657945      1.391753
  H      -5.234369     -7.363477      1.757411
  H      -3.158150     -3.516805     -0.026529
  H      -4.734420     -3.903656      0.667913
  H      -2.086365     -5.402937      1.024913
  H      -3.500808     -5.986099      0.096457
  C      -3.657696     -1.106516      0.773293
  C      -2.727733     -1.859965      1.747623
  C      -2.581245     -0.963063      2.975830
  C      -1.325282     -2.039513      1.100776
  C      -0.294053     -2.722363      1.998015
  C       0.945352     -3.263120      1.276772
  C       0.653064     -4.449380      0.352073
  C       1.891605     -4.823097     -0.487901
  C       3.210672     -4.551862      0.264850
  C       3.013345     -4.721623      1.772106
  C       2.015842     -3.678478      2.311268
  C      -6.233036     -2.830861      5.320907
  C      -6.651783     -4.112244      4.599428
  C      -7.328020     -5.023625      5.641937
  C      -7.682164     -3.747857      3.494936
  C      -7.196564     -2.708469      2.482512
  C      -8.021296     -2.617955      1.189157
  C      -9.518613     -2.390734      1.426452
  C     -10.236773     -2.019594      0.112485
  C      -9.596477     -2.702667     -1.115013
  C      -8.975144     -4.045046     -0.725157
  C      -7.812724     -3.839255      0.266108
  C      -3.204660     -5.299510      6.978535
  C      -2.333974     -6.125679      6.028649
  C      -2.776520     -7.595218      6.177791
  C      -0.843995     -6.001993      6.448760
  C      -0.268404     -4.583610      6.388656
  C       1.257084     -4.527354      6.287060
  C       1.963888     -5.181506      7.481600
  C       3.488693     -5.108266      7.356932
  C       3.969905     -3.667225      7.167373
  C       3.269212     -3.002044      5.979633
  C       1.746652     -3.083908      6.113808
  H      -4.663796     -1.009501      1.206559
  H      -3.751242     -1.600296     -0.200948
  H      -3.258954     -0.098612      0.592697
  H      -2.174134      0.007493      2.661366
  H      -1.889777     -1.409888      3.700932
  H      -3.562617     -0.790928      3.440372
  H      -1.439078     -2.611631      0.167693
  H      -0.960630     -1.044090      0.799440
  H      -0.781869     -3.562473      2.526205
  H       0.045684     -2.022507      2.779682
  H       1.357924     -2.448978      0.652319
  H      -0.196192     -4.235753     -0.314115
  H       0.347493     -5.305560      0.980756
  H       1.833919     -5.887134     -0.764806
  H       1.882892     -4.255111     -1.430883
  H       3.553897     -3.523491      0.065471
  H       4.002448     -5.219108     -0.105334
  H       2.636013     -5.739120      1.968589
  H       3.971669     -4.640237      2.305955
  H       1.504747     -4.082980      3.200344
  H       2.555155     -2.779540      2.649062
  H      -5.584119     -3.073122      6.173984
  H      -5.705737     -2.152595      4.634812
  H      -7.127704     -2.315858      5.695791
  H      -8.140212     -4.475414      6.139717
  H      -6.607204     -5.339379      6.409635
  H      -7.767440     -5.923702      5.193761
  H      -8.592876     -3.385876      3.997678
  H      -7.978294     -4.673906      2.977961
  H      -7.196094     -1.713352      2.957011
  H      -6.146916     -2.925653      2.221611
  H      -7.647102     -1.729537      0.648964
  H      -9.672690     -1.601260      2.178898
  H      -9.959046     -3.309576      1.847569
  H     -10.217145     -0.927516     -0.025089
  H     -11.297434     -2.304666      0.185660
  H     -10.345255     -2.835039     -1.909262
  H      -8.808345     -2.057358     -1.536953
  H      -9.752472     -4.677232     -0.265179
  H      -8.622561     -4.587230     -1.614946
  H      -6.869504     -3.703762     -0.288620
  H      -7.689199     -4.750883      0.873109
  H      -3.154298     -5.726561      7.989024
  H      -2.875577     -4.256583      7.021406
  H      -4.253530     -5.311251      6.647723
  H      -2.185114     -8.277574      5.553398
  H      -2.650600     -7.913775      7.222335
  H      -3.836366     -7.706710      5.907837
  H      -0.747128     -6.415623      7.465019
  H      -0.242831     -6.659289      5.799188
  H      -0.582401     -4.014299      7.281786
  H      -0.703277     -4.066797      5.516657
  H       1.547261     -5.091354      5.377781
  H       1.645723     -4.659651      8.403266
  H       1.646185     -6.230332      7.586246
  H       3.962735     -5.556782      8.243319
  H       3.806773     -5.711514      6.488396
  H       5.061547     -3.643567      7.028172
  H       3.755062     -3.090695      8.084496
  H       3.587729     -1.952288      5.884566
  H       3.572556     -3.511761      5.048612
  H       1.261614     -2.627686      5.235223
  H       1.427844     -2.496667      6.995354
  N      -3.165995     -2.887276      5.019875
  N      -3.282988     -1.782875      5.882324
  H      -4.255205     -1.410549      5.964390
  H      -2.972970     -2.036496      6.836624
  H      -2.676107     -1.014728      5.545050
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.833492834251
  N      -3.317927     -3.199896      2.068477
  C      -3.662569     -3.948705      0.851217
  C      -3.193783     -5.378863      0.957192
  N      -3.713413     -5.950544      2.209710
  C      -5.139288     -6.322747      2.114390
  C      -5.778976     -6.137060      3.474846
  N      -5.478838     -4.795348      3.985986
  Mo     -3.597143     -4.185109      3.816120
  N      -2.512399     -5.675594      4.608582
  C      -1.819589     -6.483744      3.605543
  C      -2.871746     -7.072519      2.686936
  H      -1.223615     -7.288974      4.057125
  H      -1.113431     -5.861424      3.026221
  H      -3.503882     -7.762189      3.261633
  H      -2.444440     -7.621201      1.829574
  H      -6.862306     -6.294637      3.371978
  H      -5.407154     -6.903395      4.180930
  H      -5.625010     -5.655458      1.390939
  H      -5.246142     -7.359929      1.751463
  H      -3.183792     -3.510028     -0.034697
  H      -4.752246     -3.906591      0.668636
  H      -2.096433     -5.395846      1.011372
  H      -3.510771     -5.980999      0.086089
  C      -3.637360     -1.112668      0.752178
  C      -2.721119     -1.867413      1.740560
  C      -2.580143     -0.962174      2.962434
  C      -1.313807     -2.058978      1.108432
  C      -0.295788     -2.742187      2.018772
  C       0.956241     -3.275169      1.313795
  C       0.685341     -4.462832      0.384183
  C       1.937056     -4.825130     -0.440993
  C       3.244501     -4.543716      0.327794
  C       3.030324     -4.716165      1.831976
  C       2.017661     -3.682242      2.360057
  C      -6.236556     -2.829211      5.311542
  C      -6.654219     -4.111107      4.594106
  C      -7.325994     -5.020013      5.642616
  C      -7.687001     -3.748770      3.489763
  C      -7.202639     -2.713325      2.472788
  C      -8.038394     -2.619376      1.186816
  C      -9.530658     -2.376315      1.438134
  C     -10.258855     -2.004099      0.130205
  C      -9.637565     -2.697552     -1.100836
  C      -9.025881     -4.044327     -0.712060
  C      -7.851699     -3.846491      0.266371
  C      -3.188048     -5.298057      6.972259
  C      -2.324141     -6.122016      6.014845
  C      -2.768235     -7.592219      6.158699
  C      -0.832159     -6.000612      6.427015
  C      -0.258154     -4.583153      6.364246
  C       1.267974     -4.526094      6.264072
  C       1.975135     -5.185700      7.455506
  C       3.499628     -5.109367      7.331698
  C       3.979778     -3.667450      7.149064
  C       3.279118     -2.997807      5.964337
  C       1.756882     -3.081825      6.098223
  H      -4.649880     -1.015004      1.171168
  H      -3.717045     -1.608319     -0.222955
  H      -3.237666     -0.104721      0.573558
  H      -2.149580     -0.002075      2.646875
  H      -1.911842     -1.415827      3.705102
  H      -3.568399     -0.766024      3.403334
  H      -1.419366     -2.629388      0.173268
  H      -0.941851     -1.065206      0.808881
  H      -0.787168     -3.585380      2.539885
  H       0.029136     -2.044330      2.808754
  H       1.371234     -2.457443      0.695059
  H      -0.157941     -4.257244     -0.292151
  H       0.378732     -5.322885      1.007833
  H       1.890796     -5.889177     -0.721110
  H       1.935374     -4.256348     -1.383905
  H       3.581714     -3.512031      0.133024
  H       4.047104     -5.202620     -0.034491
  H       2.659212     -5.737163      2.024025
  H       3.980979     -4.628755      2.378942
  H       1.500994     -4.091457      3.244649
  H       2.544131     -2.777990      2.705281
  H      -5.597313     -3.073692      6.171471
  H      -5.704290     -2.156181      4.623134
  H      -7.131676     -2.308824      5.678311
  H      -8.134850     -4.472618      6.146856
  H      -6.598334     -5.334406      6.404891
  H      -7.769372     -5.920485      5.198207
  H      -8.595211     -3.382963      3.994968
  H      -7.991348     -4.674648      2.976853
  H      -7.192624     -1.717660      2.946446
  H      -6.155711     -2.935271      2.203090
  H      -7.660317     -1.736915      0.639246
  H      -9.670372     -1.582769      2.189557
  H      -9.976038     -3.288719      1.868965
  H     -10.231656     -0.912537     -0.012426
  H     -11.321688     -2.278454      0.215871
  H     -10.394896     -2.823586     -1.888266
  H      -8.847035     -2.061473     -1.533238
  H      -9.804977     -4.667005     -0.241311
  H      -8.688474     -4.595696     -1.602367
  H      -6.911517     -3.722823     -0.296979
  H      -7.730647     -4.757460      0.875504
  H      -3.123461     -5.724008      7.982572
  H      -2.854288     -4.256494      7.008713
  H      -4.241625     -5.310969      6.656162
  H      -2.178884     -8.272016      5.528513
  H      -2.640318     -7.918854      7.200661
  H      -3.829233     -7.701483      5.891287
  H      -0.731278     -6.414595      7.442732
  H      -0.234136     -6.660814      5.776919
  H      -0.573502     -4.009983      7.254698
  H      -0.691920     -4.065856      5.492155
  H       1.559322     -5.085957      5.352010
  H       1.655289     -4.668974      8.380167
  H       1.658106     -6.235219      7.556891
  H       3.975006     -5.563817      8.214663
  H       3.818633     -5.708235      6.459867
  H       5.071924     -3.641283      7.012883
  H       3.762951     -3.094579      8.068584
  H       3.597328     -1.947489      5.872197
  H       3.583216     -3.503033      5.030502
  H       1.268775     -2.619733      5.223847
  H       1.436937     -2.499667      6.983225
  N      -3.159199     -2.895430      5.018820
  N      -3.315122     -1.782849      5.870676
  H      -4.304273     -1.463898      5.968210
  H      -2.966998     -2.001564      6.820924
  H      -2.760784     -0.988094      5.503562
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.833854119900
  N      -3.324406     -3.172882      2.085690
  C      -3.666676     -3.914012      0.861909
  C      -3.185549     -5.341189      0.959796
  N      -3.703918     -5.925576      2.207356
  C      -5.128186     -6.305697      2.108040
  C      -5.768848     -6.132093      3.470101
  N      -5.479111     -4.788334      3.986021
  Mo     -3.601495     -4.170375      3.824301
  N      -2.504625     -5.649845      4.609920
  C      -1.806193     -6.449127      3.603362
  C      -2.854358     -7.043281      2.681891
  H      -1.202807     -7.249648      4.053658
  H      -1.102425     -5.822094      3.025576
  H      -3.480977     -7.739820      3.254454
  H      -2.423198     -7.588086      1.823904
  H      -6.850552     -6.299801      3.367309
  H      -5.391616     -6.900804      4.170561
  H      -5.620260     -5.636866      1.390277
  H      -5.229618     -7.340363      1.736352
  H      -3.195020     -3.465899     -0.022747
  H      -4.756636     -3.881727      0.679303
  H      -2.088032     -5.348939      1.014500
  H      -3.494708     -5.940467      0.083611
  C      -3.625589     -1.065489      0.791812
  C      -2.711819     -1.843461      1.765799
  C      -2.550083     -0.949429      2.993636
  C      -1.312696     -2.051687      1.122461
  C      -0.301076     -2.757701      2.021553
  C       0.942406     -3.297287      1.306812
  C       0.653754     -4.473546      0.368059
  C       1.897394     -4.842557     -0.466595
  C       3.211631     -4.583399      0.299019
  C       3.002100     -4.766788      1.802400
  C       2.003850     -3.725887      2.344359
  C      -6.257422     -2.834638      5.315184
  C      -6.664413     -4.116830      4.592639
  C      -7.332445     -5.032590      5.637435
  C      -7.693454     -3.760448      3.483166
  C      -7.211683     -2.719915      2.470194
  C      -8.041173     -2.631931      1.179261
  C      -9.536684     -2.400063      1.422416
  C     -10.261025     -2.033973      0.110471
  C      -9.627116     -2.722376     -1.117111
  C      -9.007888     -4.064607     -0.724712
  C      -7.840437     -3.858362      0.259987
  C      -3.179994     -5.284402      6.978103
  C      -2.315689     -6.104291      6.015702
  C      -2.764770     -7.574948      6.151792
  C      -0.825131     -5.989125      6.427246
  C      -0.244983     -4.575272      6.358857
  C       1.282841     -4.525770      6.269883
  C       1.978654     -5.176438      7.473186
  C       3.504295     -5.107471      7.359114
  C       3.992069     -3.669644      7.165052
  C       3.303000     -3.009743      5.968051
  C       1.779641     -3.085145      6.093211
  H      -4.635989     -0.966736      1.216207
  H      -3.712059     -1.545321     -0.190857
  H      -3.219768     -0.057680      0.626304
  H      -2.102807      0.004251      2.681578
  H      -1.888969     -1.419061      3.732755
  H      -3.534243     -0.735921      3.437509
  H      -1.432157     -2.611823      0.182306
  H      -0.926616     -1.061401      0.828037
  H      -0.798397     -3.600945      2.536737
  H       0.033228     -2.072555      2.819124
  H       1.363802     -2.478191      0.694025
  H      -0.190879     -4.252794     -0.302359
  H       0.339265     -5.335789      0.985130
  H       1.836808     -5.903234     -0.757387
  H       1.898318     -4.265133     -1.404492
  H       3.560716     -3.554038      0.111469
  H       4.005278     -5.247901     -0.073284
  H       2.620066     -5.785282      1.987579
  H       3.955969     -4.696286      2.346724
  H       1.487748     -4.136837      3.229013
  H       2.541393     -2.830031      2.695557
  H      -5.630044     -3.082197      6.183920
  H      -5.719550     -2.158324      4.633976
  H      -7.158067     -2.317484      5.673505
  H      -8.144397     -4.492279      6.144469
  H      -6.601421     -5.344652      6.397825
  H      -7.770873     -5.934280      5.190100
  H      -8.607867     -3.402982      3.983728
  H      -7.989362     -4.687373      2.966645
  H      -7.212104     -1.724583      2.945249
  H      -6.161574     -2.932504      2.205624
  H      -7.666416     -1.747060      0.633241
  H      -9.686851     -1.607193      2.173045
  H      -9.977904     -3.315096      1.852441
  H     -10.242754     -0.942025     -0.032436
  H     -11.322328     -2.316638      0.190674
  H     -10.378808     -2.853246     -1.909451
  H      -8.839104     -2.080019     -1.545420
  H      -9.785101     -4.693079     -0.257955
  H      -8.662122     -4.614994     -1.612683
  H      -6.897118     -3.727962     -0.297030
  H      -7.715771     -4.768765      0.869669
  H      -3.105184     -5.712089      7.987531
  H      -2.846917     -4.242336      7.016317
  H      -4.235308     -5.301114      6.670135
  H      -2.178152     -8.254922      5.518622
  H      -2.639210     -7.908977      7.191840
  H      -3.826329     -7.678288      5.883388
  H      -0.726781     -6.402015      7.443757
  H      -0.229128     -6.654635      5.779909
  H      -0.564509     -3.991089      7.240998
  H      -0.668470     -4.062404      5.479596
  H       1.578819     -5.095600      5.365472
  H       1.654186     -4.649966      8.391069
  H       1.656455     -6.223750      7.583610
  H       3.972351     -5.555811      8.249449
  H       3.827118     -5.717168      6.495904
  H       5.085627     -3.649567      7.037558
  H       3.771507     -3.085416      8.076857
  H       3.627411     -1.962009      5.865751
  H       3.611232     -3.526199      5.041383
  H       1.297952     -2.629823      5.211228
  H       1.456263     -2.492039      6.969933
  N      -3.161943     -2.885732      5.036650
  N      -3.350946     -1.775198      5.889251
  H      -4.352596     -1.508728      6.012884
  H      -2.961892     -1.965696      6.829823
  H      -2.850458     -0.954679      5.500800
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834088538549
  N      -3.320765     -3.166787      2.071089
  C      -3.673301     -3.907652      0.848223
  C      -3.192778     -5.336009      0.943639
  N      -3.707166     -5.918646      2.194345
  C      -5.132269     -6.297799      2.099772
  C      -5.767632     -6.120809      3.464221
  N      -5.475716     -4.773718      3.976259
  Mo     -3.596781     -4.161744      3.810300
  N      -2.499417     -5.638495      4.593858
  C      -1.804164     -6.441155      3.585477
  C      -2.856471     -7.036262      2.668291
  H      -1.201411     -7.241782      4.036570
  H      -1.098958     -5.819596      3.004224
  H      -3.481393     -7.730686      3.245449
  H      -2.429056     -7.585206      1.811201
  H      -6.849255     -6.291441      3.366500
  H      -5.386497     -6.888239      4.163693
  H      -5.626582     -5.628409      1.383969
  H      -5.237255     -7.332016      1.728392
  H      -3.211995     -3.459848     -0.041876
  H      -4.764489     -3.877337      0.674711
  H      -2.095143     -5.344372      0.993357
  H      -3.505158     -5.935624      0.068847
  C      -3.615500     -1.065628      0.766987
  C      -2.703945     -1.839200      1.745948
  C      -2.547033     -0.938783      2.970822
  C      -1.303798     -2.053187      1.106925
  C      -0.290459     -2.743438      2.016343
  C       0.959390     -3.282464      1.311806
  C       0.682353     -4.473245      0.387795
  C       1.931041     -4.843381     -0.438989
  C       3.241078     -4.564602      0.327377
  C       3.028119     -4.730880      1.832312
  C       2.020686     -3.690402      2.358124
  C      -6.249976     -2.818100      5.301274
  C      -6.661076     -4.104857      4.587830
  C      -7.317307     -5.018168      5.641026
  C      -7.698897     -3.757903      3.485013
  C      -7.227853     -2.724936      2.459354
  C      -8.073107     -2.644390      1.177638
  C      -9.564498     -2.403488      1.437866
  C     -10.304178     -2.044626      0.132261
  C      -9.688473     -2.745642     -1.097640
  C      -9.071551     -4.087961     -0.701840
  C      -7.890306     -3.879914      0.266062
  C      -3.174831     -5.279183      6.964668
  C      -2.312441     -6.098974      5.998996
  C      -2.771302     -7.567512      6.127271
  C      -0.823322     -5.995195      6.413565
  C      -0.232907     -4.585150      6.354307
  C       1.296201     -4.545512      6.279824
  C       1.976483     -5.201475      7.489296
  C       3.503662     -5.142626      7.388970
  C       4.002474     -3.707724      7.200671
  C       3.328990     -3.042740      5.997298
  C       1.804113     -3.107609      6.109389
  H      -4.627656     -0.969809      1.187496
  H      -3.696158     -1.546724     -0.215628
  H      -3.212128     -0.056715      0.602147
  H      -2.089260      0.008914      2.655902
  H      -1.899525     -1.406594      3.722958
  H      -3.535219     -0.713196      3.400473
  H      -1.421146     -2.627057      0.174635
  H      -0.918683     -1.066793      0.798479
  H      -0.782304     -3.583558      2.540560
  H       0.036229     -2.046725      2.807155
  H       1.376325     -2.467988      0.690122
  H      -0.162284     -4.267736     -0.287766
  H       0.372852     -5.329813      1.014967
  H       1.879129     -5.907994     -0.716757
  H       1.930336     -4.277819     -1.384050
  H       3.583150     -3.535251      0.127677
  H       4.040834     -5.227865     -0.034059
  H       2.652918     -5.749743      2.029129
  H       3.979704     -4.646782      2.378765
  H       1.505143     -4.093996      3.246274
  H       2.550368     -2.786240      2.699805
  H      -5.620454     -3.063756      6.169874
  H      -5.714443     -2.145356      4.615017
  H      -7.148652     -2.298754      5.661680
  H      -8.124903     -4.477130      6.154228
  H      -6.577639     -5.326213      6.394652
  H      -7.758483     -5.922178      5.201185
  H      -8.609674     -3.398038      3.990574
  H      -7.997742     -4.689183      2.978008
  H      -7.221310     -1.726308      2.927679
  H      -6.181605     -2.941034      2.183813
  H      -7.701413     -1.766090      0.619302
  H      -9.701078     -1.603414      2.183518
  H     -10.004628     -3.312448      1.881472
  H     -10.283550     -0.953948     -0.019660
  H     -11.365470     -2.322374      0.228125
  H     -10.450490     -2.879061     -1.879677
  H      -8.902812     -2.110559     -1.540716
  H      -9.845995     -4.708250     -0.219864
  H      -8.740305     -4.647802     -1.589472
  H      -6.953598     -3.759469     -0.304047
  H      -7.762681     -4.785905      0.881495
  H      -3.095844     -5.709838      7.972832
  H      -2.841575     -4.237242      7.006012
  H      -4.230602     -5.295796      6.659821
  H      -2.189238     -8.249509      5.492010
  H      -2.649394     -7.906963      7.166036
  H      -3.833305     -7.661504      5.857220
  H      -0.730731     -6.414925      7.427887
  H      -0.229124     -6.660721      5.764445
  H      -0.556376     -3.999779      7.234194
  H      -0.644155     -4.067608      5.472226
  H       1.597073     -5.116057      5.377778
  H       1.647096     -4.674284      8.404857
  H       1.646765     -6.247003      7.595660
  H       3.960849     -5.594611      8.283186
  H       3.830471     -5.754015      6.528552
  H       5.097366     -3.695011      7.083462
  H       3.777670     -3.122458      8.110668
  H       3.661680     -1.997212      5.898382
  H       3.642320     -3.560705      5.073217
  H       1.333050     -2.648921      5.223548
  H       1.477319     -2.512768      6.983525
  N      -3.138349     -2.875237      5.013623
  N      -3.345440     -1.756304      5.854976
  H      -4.352742     -1.532397      6.009921
  H      -2.913289     -1.909767      6.782866
  H      -2.896247     -0.922913      5.432675
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834214804436
  N      -3.315702     -3.150845      2.080008
  C      -3.677564     -3.884507      0.854892
  C      -3.199712     -5.314768      0.939681
  N      -3.710897     -5.901430      2.189786
  C      -5.135622     -6.279835      2.094904
  C      -5.768415     -6.108230      3.460848
  N      -5.475493     -4.761794      3.977083
  Mo     -3.594493     -4.153308      3.814563
  N      -2.495230     -5.632892      4.586613
  C      -1.804547     -6.433700      3.572060
  C      -2.860641     -7.022663      2.655611
  H      -1.203449     -7.238174      4.018402
  H      -1.098405     -5.813531      2.991454
  H      -3.485090     -7.717956      3.232237
  H      -2.437230     -7.569586      1.795344
  H      -6.849877     -6.279993      3.364328
  H      -5.384902     -6.877210      4.157030
  H      -5.629564     -5.604853      1.383925
  H      -5.242436     -7.311585      1.717735
  H      -3.222787     -3.432963     -0.036552
  H      -4.769933     -3.851619      0.689402
  H      -2.101963     -5.325539      0.986009
  H      -3.516196     -5.909606      0.063360
  C      -3.597147     -1.044527      0.781272
  C      -2.689181     -1.826490      1.755783
  C      -2.523832     -0.929225      2.981789
  C      -1.292042     -2.050173      1.114512
  C      -0.284662     -2.752408      2.021917
  C       0.964251     -3.295840      1.318807
  C       0.681592     -4.475282      0.382041
  C       1.931431     -4.848435     -0.441571
  C       3.239432     -4.589895      0.335470
  C       3.015817     -4.769151      1.837489
  C       2.015345     -3.724123      2.367775
  C      -6.251200     -2.806571      5.297823
  C      -6.662751     -4.095857      4.588373
  C      -7.314698     -5.009517      5.643075
  C      -7.701977     -3.754415      3.486743
  C      -7.232310     -2.728820      2.453280
  C      -8.079491     -2.657438      1.172287
  C      -9.570351     -2.413184      1.432754
  C     -10.311428     -2.063012      0.125495
  C      -9.697754     -2.773465     -1.100128
  C      -9.082020     -4.113627     -0.695228
  C      -7.899115     -3.900106      0.269555
  C      -3.168908     -5.286039      6.958872
  C      -2.306963     -6.101467      5.988653
  C      -2.764621     -7.570540      6.111546
  C      -0.817791     -5.996611      6.400464
  C      -0.232658     -4.583883      6.351952
  C       1.296095     -4.537337      6.277960
  C       1.979519     -5.198960      7.482490
  C       3.506530     -5.133007      7.381569
  C       3.999028     -3.694522      7.203140
  C       3.321704     -3.023974      6.004739
  C       1.797283     -3.095869      6.118395
  H      -4.608112     -0.946003      1.203429
  H      -3.680600     -1.519595     -0.203819
  H      -3.188506     -0.036836      0.622100
  H      -2.058589      0.014775      2.666680
  H      -1.881018     -1.401200      3.734896
  H      -3.510687     -0.695471      3.410241
  H      -1.416052     -2.621819      0.181855
  H      -0.897163     -1.067339      0.807434
  H      -0.783543     -3.592418      2.539127
  H       0.043814     -2.062316      2.817724
  H       1.391866     -2.479598      0.707080
  H      -0.157417     -4.255437     -0.295999
  H       0.361604     -5.334989      0.999146
  H       1.871463     -5.909537     -0.730492
  H       1.941399     -4.272960     -1.380419
  H       3.592513     -3.562154      0.148044
  H       4.034683     -5.257644     -0.027446
  H       2.629482     -5.786091      2.021576
  H       3.964892     -4.699535      2.390052
  H       1.490154     -4.131927      3.248050
  H       2.551693     -2.828865      2.721840
  H      -5.624447     -3.051533      6.168931
  H      -5.712401     -2.137481      4.611243
  H      -7.149316     -2.284370      5.655461
  H      -8.121004     -4.468176      6.158038
  H      -6.572767     -5.316762      6.394545
  H      -7.756239     -5.913943      5.204857
  H      -8.611604     -3.391020      3.991656
  H      -8.001018     -4.688689      2.985912
  H      -7.224192     -1.726950      2.914484
  H      -6.186875     -2.948327      2.177735
  H      -7.707902     -1.783799      0.606813
  H      -9.704647     -1.607200      2.172269
  H     -10.010797     -3.318270      1.883513
  H     -10.290041     -0.973581     -0.034145
  H     -11.372622     -2.339576      0.224495
  H     -10.460924     -2.912171     -1.880010
  H      -8.912172     -2.142340     -1.548558
  H      -9.856502     -4.729235     -0.207690
  H      -8.752652     -4.680015     -1.579295
  H      -6.963457     -3.785269     -0.303082
  H      -7.772025     -4.801738      0.891169
  H      -3.088551     -5.722593      7.964352
  H      -2.838389     -4.243499      7.007452
  H      -4.224617     -5.302934      6.653954
  H      -2.184803     -8.250157      5.472075
  H      -2.638835     -7.913069      7.148813
  H      -3.827490     -7.663429      5.845026
  H      -0.721234     -6.425151      7.410733
  H      -0.222406     -6.653093      5.743500
  H      -0.558705     -4.006099      7.235694
  H      -0.645948     -4.062357      5.472911
  H       1.599550     -5.099257      5.371534
  H       1.648571     -4.680133      8.401935
  H       1.654804     -6.246813      7.580820
  H       3.966031     -5.588836      8.272532
  H       3.835401     -5.736841      6.516877
  H       5.093685     -3.676579      7.084919
  H       3.772603     -3.116814      8.117290
  H       3.649882     -1.976457      5.913081
  H       3.636357     -3.534282      5.076994
  H       1.323589     -2.633251      5.236374
  H       1.469517     -2.509160      6.997370
  N      -3.127975     -2.873231      5.022172
  N      -3.348365     -1.760307      5.869979
  H      -4.357353     -1.565722      6.047156
  H      -2.888560     -1.900342      6.786003
  H      -2.932893     -0.914658      5.437300
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834300151939
  N      -3.316461     -3.149333      2.082310
  C      -3.680446     -3.883370      0.858401
  C      -3.204597     -5.314208      0.941882
  N      -3.715730     -5.897806      2.193269
  C      -5.139929     -6.275762      2.097370
  C      -5.771328     -6.105004      3.463558
  N      -5.479529     -4.757772      3.979182
  Mo     -3.597042     -4.149947      3.818044
  N      -2.494328     -5.628454      4.586621
  C      -1.807978     -6.432675      3.571426
  C      -2.867104     -7.020191      2.658227
  H      -1.208982     -7.238606      4.017932
  H      -1.100653     -5.815787      2.989171
  H      -3.492110     -7.713042      3.237159
  H      -2.446825     -7.569132      1.797718
  H      -6.852561     -6.278566      3.368894
  H      -5.384827     -6.871959      4.160221
  H      -5.632698     -5.598023      1.388017
  H      -5.247350     -7.306867      1.718720
  H      -3.228323     -3.431657     -0.034186
  H      -4.773453     -3.849719      0.696472
  H      -2.106769     -5.327000      0.987677
  H      -3.523606     -5.909364      0.066942
  C      -3.598413     -1.043784      0.781407
  C      -2.690185     -1.825393      1.755428
  C      -2.524959     -0.927720      2.981078
  C      -1.294390     -2.050396      1.112716
  C      -0.283510     -2.746988      2.020690
  C       0.965814     -3.289277      1.317320
  C       0.685181     -4.471105      0.382830
  C       1.935297     -4.842644     -0.440879
  C       3.243051     -4.580421      0.335187
  C       3.020463     -4.757463      1.837676
  C       2.018003     -3.713747      2.366683
  C      -6.257384     -2.805207      5.298362
  C      -6.668554     -4.094589      4.589598
  C      -7.318604     -5.009966      5.643807
  C      -7.707963     -3.753927      3.488733
  C      -7.236485     -2.731603      2.453059
  C      -8.081795     -2.662302      1.171082
  C      -9.572895     -2.416465      1.428273
  C     -10.310703     -2.067066      0.119016
  C      -9.694755     -2.778990     -1.104618
  C      -9.080902     -4.119277     -0.697314
  C      -7.900277     -3.906229      0.270381
  C      -3.163559     -5.280444      6.960088
  C      -2.305997     -6.098146      5.988278
  C      -2.767521     -7.565213      6.112507
  C      -0.815262     -5.997580      6.397408
  C      -0.225249     -4.586792      6.349002
  C       1.303498     -4.545662      6.278675
  C       1.981957     -5.203416      7.487909
  C       3.509443     -5.143565      7.389712
  C       4.007536     -3.707810      7.204312
  C       3.334648     -3.041118      6.001224
  C       1.809712     -3.106717      6.112731
  H      -4.609514     -0.947192      1.203338
  H      -3.680370     -1.516033     -0.204869
  H      -3.190507     -0.035350      0.625321
  H      -2.060003      0.016252      2.665610
  H      -1.883343     -1.397712      3.735898
  H      -3.512627     -0.694021      3.407779
  H      -1.421316     -2.628189      0.184362
  H      -0.900511     -1.069379      0.799054
  H      -0.780221     -3.586700      2.540449
  H       0.044233     -2.053508      2.813638
  H       1.391524     -2.473502      0.703827
  H      -0.154625     -4.254329     -0.294893
  H       0.368478     -5.330528      1.001746
  H       1.877707     -5.904178     -0.728262
  H       1.943431     -4.267995     -1.380109
  H       3.593865     -3.552446      0.145828
  H       4.039132     -5.247678     -0.026493
  H       2.636439     -5.774805      2.023634
  H       3.969753     -4.684342      2.389170
  H       1.493133     -4.121597      3.246712
  H       2.552918     -2.817314      2.719327
  H      -5.636685     -3.052359      6.173163
  H      -5.711644     -2.139885      4.614127
  H      -7.154844     -2.279018      5.651415
  H      -8.124298     -4.468834      6.160021
  H      -6.576322     -5.318304      6.394221
  H      -7.760336     -5.913658      5.204724
  H      -8.616625     -3.387804      3.993076
  H      -8.007809     -4.688676      2.989984
  H      -7.226747     -1.728774      2.911818
  H      -6.191302     -2.954394      2.179221
  H      -7.708726     -1.789858      0.604808
  H      -9.707559     -1.609235      2.166134
  H     -10.014972     -3.320629      1.878963
  H     -10.288009     -0.977908     -0.041388
  H     -11.372106     -2.343189      0.215660
  H     -10.456372     -2.918301     -1.885754
  H      -8.907932     -2.148646     -1.551610
  H      -9.856995     -4.733923     -0.211438
  H      -8.749584     -4.685920     -1.580350
  H      -6.963323     -3.793242     -0.300318
  H      -7.776129     -4.807488      0.892857
  H      -3.087524     -5.721418      7.963843
  H      -2.829546     -4.239644      7.014255
  H      -4.218862     -5.291309      6.652707
  H      -2.192170     -8.246828      5.471574
  H      -2.638449     -7.906389      7.149714
  H      -3.831633     -7.655018      5.850425
  H      -0.717199     -6.427355      7.407000
  H      -0.223285     -6.654275      5.737818
  H      -0.551534     -4.007489      7.231420
  H      -0.635339     -4.065920      5.467952
  H       1.607490     -5.112645      5.375792
  H       1.651397     -4.678570      8.403816
  H       1.653636     -6.249620      7.590385
  H       3.965220     -5.595561      8.284370
  H       3.837760     -5.753205      6.529105
  H       5.102303     -3.694744      7.087443
  H       3.781770     -3.124530      8.114885
  H       3.666822     -1.995415      5.904859
  H       3.648915     -3.557875      5.077140
  H       1.339608     -2.647564      5.227181
  H       1.482969     -2.514531      6.988171
  N      -3.125430     -2.866146      5.021767
  N      -3.359647     -1.755152      5.869955
  H      -4.369740     -1.580637      6.057052
  H      -2.883263     -1.882277      6.778935
  H      -2.967018     -0.902857      5.428759
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834356093617
  N      -3.311510     -3.148036      2.079593
  C      -3.675860     -3.880907      0.855836
  C      -3.203499     -5.312591      0.937741
  N      -3.715927     -5.894606      2.189534
  C      -5.140664     -6.270451      2.093452
  C      -5.769879     -6.101661      3.460744
  N      -5.477478     -4.754970      3.976922
  Mo     -3.593932     -4.147346      3.816141
  N      -2.489380     -5.627769      4.578820
  C      -1.807344     -6.434702      3.563435
  C      -2.869689     -7.019326      2.652665
  H      -1.211030     -7.242287      4.010407
  H      -1.098227     -5.820136      2.980576
  H      -3.495577     -7.710461      3.232686
  H      -2.452706     -7.568918      1.790914
  H      -6.851358     -6.274623      3.368493
  H      -5.381395     -6.868141      4.156855
  H      -5.632766     -5.589512      1.386723
  H      -5.249562     -7.300646      1.712581
  H      -3.223229     -3.428340     -0.036027
  H      -4.769010     -3.844876      0.694762
  H      -2.105611     -5.328577      0.983429
  H      -3.525384     -5.906788      0.063307
  C      -3.594259     -1.042461      0.776694
  C      -2.687679     -1.822906      1.753528
  C      -2.526774     -0.925012      2.979460
  C      -1.291191     -2.048219      1.113226
  C      -0.281945     -2.745775      2.022188
  C       0.966188     -3.290684      1.319083
  C       0.682789     -4.470148      0.382389
  C       1.932591     -4.844154     -0.440585
  C       3.240465     -4.587419      0.336999
  C       3.016119     -4.765644      1.839094
  C       2.015848     -3.720192      2.368797
  C      -6.254285     -2.800002      5.291244
  C      -6.666060     -4.091659      4.588053
  C      -7.312158     -5.004360      5.647260
  C      -7.709334     -3.754115      3.489613
  C      -7.240165     -2.734556      2.450096
  C      -8.088927     -2.666703      1.170721
  C      -9.579150     -2.419471      1.431042
  C     -10.319196     -2.070390      0.123012
  C      -9.706106     -2.783165     -1.101512
  C      -9.092168     -4.123676     -0.695104
  C      -7.910157     -3.911498      0.271150
  C      -3.158169     -5.280145      6.952483
  C      -2.301214     -6.097568      5.980617
  C      -2.762812     -7.564237      6.105572
  C      -0.809687     -5.997301      6.389729
  C      -0.220851     -4.585739      6.348717
  C       1.307869     -4.543325      6.283307
  C       1.982771     -5.204931      7.492277
  C       3.510546     -5.144149      7.399373
  C       4.008837     -3.707723      7.219919
  C       3.339201     -3.037013      6.017334
  C       1.813878     -3.103599      6.123662
  H      -4.606868     -0.947271      1.195378
  H      -3.672222     -1.513466     -0.210467
  H      -3.187047     -0.033388      0.623043
  H      -2.062204      0.019763      2.665761
  H      -1.887490     -1.393330      3.737064
  H      -3.516330     -0.692597      3.402628
  H      -1.418563     -2.627546      0.185982
  H      -0.896040     -1.068028      0.798663
  H      -0.781278     -3.584859      2.540798
  H       0.046596     -2.052934      2.815208
  H       1.395231     -2.475349      0.707252
  H      -0.155588     -4.249715     -0.295703
  H       0.363204     -5.329627      0.999851
  H       1.872119     -5.904987     -0.729880
  H       1.943338     -4.267580     -1.378607
  H       3.594702     -3.560311      0.149363
  H       4.034527     -5.257052     -0.024606
  H       2.629469     -5.782252      2.023439
  H       3.965306     -4.695268      2.391083
  H       1.488001     -4.128558      3.246751
  H       2.553088     -2.826220      2.723984
  H      -5.631631     -3.044679      6.165450
  H      -5.709445     -2.137932      4.603212
  H      -7.150251     -2.271886      5.645004
  H      -8.116384     -4.461761      6.164314
  H      -6.567976     -5.310617      6.396616
  H      -7.755108     -5.909182      5.211918
  H      -8.615992     -3.385854      3.995866
  H      -8.011244     -4.690018      2.994279
  H      -7.227087     -1.730885      2.906796
  H      -6.196200     -2.960042      2.173603
  H      -7.716793     -1.795184      0.602281
  H      -9.711315     -1.611407      2.168363
  H     -10.020935     -3.323020      1.883283
  H     -10.295891     -0.981338     -0.037851
  H     -11.380543     -2.345937      0.221693
  H     -10.469451     -2.922652     -1.880879
  H      -8.919875     -2.153321     -1.550208
  H      -9.867982     -4.737952     -0.208333
  H      -8.762183     -4.690087     -1.578751
  H      -6.973727     -3.800346     -0.300819
  H      -7.786753     -4.812618      0.894007
  H      -3.087075     -5.724374      7.955110
  H      -2.822974     -4.240131      7.011463
  H      -4.212759     -5.287696      6.641539
  H      -2.188440     -8.245998      5.464080
  H      -2.631735     -7.904354      7.142828
  H      -3.827399     -7.654363      5.845579
  H      -0.709816     -6.431923      7.397044
  H      -0.217768     -6.649629      5.725803
  H      -0.550327     -4.011353      7.233100
  H      -0.629550     -4.061977      5.468768
  H       1.615326     -5.107015      5.379434
  H       1.649219     -4.683114      8.408846
  H       1.654680     -6.251600      7.589837
  H       3.963248     -5.598261      8.294465
  H       3.841913     -5.751059      6.538021
  H       5.103849     -3.694142      7.105845
  H       3.780391     -3.127623      8.131870
  H       3.671229     -1.990867      5.925926
  H       3.656491     -3.550640      5.092565
  H       1.346704     -2.641862      5.238000
  H       1.484382     -2.514607      7.000215
  N      -3.116301     -2.862159      5.016272
  N      -3.359671     -1.755897      5.869031
  H      -4.370549     -1.590987      6.059028
  H      -2.876823     -1.881451      6.774715
  H      -2.976107     -0.898840      5.428867
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834402137363
  N      -3.312914     -3.152278      2.082915
  C      -3.677978     -3.885215      0.859981
  C      -3.209154     -5.317689      0.942328
  N      -3.723022     -5.897790      2.194676
  C      -5.148968     -6.270095      2.099582
  C      -5.775056     -6.102156      3.468348
  N      -5.480954     -4.756081      3.983891
  Mo     -3.596209     -4.149040      3.821274
  N      -2.490706     -5.631497      4.579601
  C      -1.813782     -6.442799      3.565294
  C      -2.879717     -7.024978      2.657304
  H      -1.220137     -7.251437      4.013776
  H      -1.102959     -5.831150      2.981028
  H      -3.506548     -7.713919      3.238884
  H      -2.466013     -7.575987      1.794818
  H      -6.857066     -6.273458      3.379263
  H      -5.385128     -6.868470      4.163867
  H      -5.640864     -5.586437      1.395399
  H      -5.260470     -7.299570      1.717353
  H      -3.223659     -3.433206     -0.031316
  H      -4.771133     -3.846570      0.698610
  H      -2.111322     -5.336915      0.987775
  H      -3.533946     -5.911289      0.068592
  C      -3.604032     -1.049023      0.776543
  C      -2.695051     -1.824495      1.755756
  C      -2.537066     -0.922444      2.978815
  C      -1.298121     -2.046454      1.114971
  C      -0.285025     -2.737497      2.024643
  C       0.963228     -3.280459      1.320410
  C       0.682190     -4.463933      0.387995
  C       1.931597     -4.835605     -0.436664
  C       3.240430     -4.571152      0.336683
  C       3.020836     -4.745216      1.839989
  C       2.016783     -3.702952      2.368964
  C      -6.257221     -2.797072      5.291825
  C      -6.669169     -4.089674      4.591311
  C      -7.318712     -4.998560      5.652108
  C      -7.710544     -3.752834      3.490000
  C      -7.236683     -2.736185      2.449445
  C      -8.081729     -2.669006      1.167871
  C      -9.572470     -2.419856      1.423149
  C     -10.307329     -2.070660      0.112210
  C      -9.690321     -2.784219     -1.109879
  C      -9.079212     -4.125399     -0.701241
  C      -7.901423     -3.914930      0.270705
  C      -3.153528     -5.273086      6.953274
  C      -2.300964     -6.096462      5.982970
  C      -2.766236     -7.561485      6.115321
  C      -0.807686     -5.999427      6.388218
  C      -0.215656     -4.589262      6.344073
  C       1.313125     -4.551166      6.277925
  C       1.986365     -5.211070      7.488774
  C       3.514310     -5.155015      7.395775
  C       4.017005     -3.720751      7.211523
  C       3.348984     -3.051513      6.007325
  C       1.823358     -3.113421      6.113644
  H      -4.617647     -0.956664      1.193738
  H      -3.678981     -1.521256     -0.210364
  H      -3.200311     -0.038664      0.622172
  H      -2.079330      0.024835      2.662363
  H      -1.893102     -1.384758      3.736047
  H      -3.527188     -0.695468      3.403879
  H      -1.425166     -2.629816      0.190217
  H      -0.907291     -1.065811      0.796386
  H      -0.781211     -3.576727      2.546199
  H       0.042811     -2.041104      2.814805
  H       1.388382     -2.465539      0.705135
  H      -0.158521     -4.249035     -0.288906
  H       0.367568     -5.322742      1.009149
  H       1.874681     -5.897596     -0.722571
  H       1.937716     -4.261699     -1.376442
  H       3.589982     -3.543149      0.144786
  H       4.036205     -5.238948     -0.024597
  H       2.639898     -5.763183      2.028966
  H       3.971316     -4.667954      2.388915
  H       1.491890     -4.111745      3.248616
  H       2.550938     -2.805840      2.721004
  H      -5.637790     -3.041335      6.168527
  H      -5.708151     -2.139225      4.602723
  H      -7.152222     -2.264899      5.641774
  H      -8.123693     -4.453735      6.165676
  H      -6.576919     -5.303557      6.404423
  H      -7.761677     -5.904102      5.217985
  H      -8.617041     -3.381237      3.994092
  H      -8.014060     -4.688967      2.995849
  H      -7.221958     -1.731715      2.904319
  H      -6.192523     -2.965096      2.175962
  H      -7.706990     -1.798561      0.599302
  H      -9.706123     -1.611066      2.159461
  H     -10.016813     -3.322742      1.874409
  H     -10.282226     -0.981628     -0.048850
  H     -11.369338     -2.345216      0.206957
  H     -10.450978     -2.923200     -1.891992
  H      -8.901749     -2.155142     -1.555678
  H      -9.857947     -4.739215     -0.218426
  H      -8.745568     -4.691498     -1.583750
  H      -6.961718     -3.806543     -0.296566
  H      -7.783380     -4.815889      0.895033
  H      -3.086353     -5.715693      7.956904
  H      -2.813804     -4.234442      7.010524
  H      -4.208141     -5.276053      6.641554
  H      -2.195145     -8.247417      5.475266
  H      -2.633111     -7.897253      7.153710
  H      -3.831814     -7.650484      5.858727
  H      -0.705350     -6.433121      7.395648
  H      -0.219950     -6.653819      5.722475
  H      -0.543394     -4.013412      7.228163
  H      -0.624227     -4.066219      5.463716
  H       1.619060     -5.118570      5.375732
  H       1.654523     -4.685115      8.403747
  H       1.655253     -6.256471      7.589536
  H       3.965391     -5.607206      8.292695
  H       3.843918     -5.765852      6.536428
  H       5.111996     -3.710993      7.096684
  H       3.790742     -3.137185      8.121934
  H       3.683967     -2.006540      5.913104
  H       3.664699     -3.568897      5.084018
  H       1.357693     -2.652988      5.226448
  H       1.495606     -2.520829      6.988538
  N      -3.113009     -2.861792      5.017635
  N      -3.368526     -1.759685      5.874008
  H      -4.381174     -1.602909      6.060925
  H      -2.886095     -1.885686      6.779842
  H      -2.989733     -0.898458      5.437745
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834440546437
  N      -3.310741     -3.163912      2.080253
  C      -3.673229     -3.898809      0.857867
  C      -3.208328     -5.331890      0.945202
  N      -3.724783     -5.908384      2.198406
  C      -5.152079     -6.277196      2.104863
  C      -5.775057     -6.108266      3.475128
  N      -5.480066     -4.761687      3.988311
  Mo     -3.594624     -4.154889      3.821692
  N      -2.488198     -5.637378      4.579353
  C      -1.814963     -6.454174      3.568024
  C      -2.883796     -7.036525      2.663253
  H      -1.223210     -7.262359      4.019863
  H      -1.102829     -5.846061      2.981334
  H      -3.511110     -7.722779      3.247403
  H      -2.472504     -7.590414      1.801414
  H      -6.857433     -6.278888      3.389662
  H      -5.383579     -6.873982      4.170368
  H      -5.644415     -5.592309      1.402264
  H      -5.266086     -7.306449      1.722596
  H      -3.213581     -3.449783     -0.032212
  H      -4.765534     -3.857598      0.691486
  H      -2.110680     -5.354139      0.991733
  H      -3.534386     -5.926532      0.072574
  C      -3.611652     -1.062363      0.771384
  C      -2.700240     -1.832615      1.753330
  C      -2.547551     -0.927333      2.974588
  C      -1.300999     -2.048911      1.114542
  C      -0.288215     -2.740769      2.024070
  C       0.961557     -3.279811      1.319563
  C       0.683216     -4.460466      0.382809
  C       1.933906     -4.827067     -0.442278
  C       3.241923     -4.562760      0.332558
  C       3.022222     -4.742218      1.835221
  C       2.014816     -3.704690      2.367452
  C      -6.257332     -2.800711      5.293249
  C      -6.668310     -4.092753      4.591911
  C      -7.321850     -4.999875      5.652101
  C      -7.707768     -3.754471      3.488121
  C      -7.230178     -2.738036      2.448754
  C      -8.075940     -2.664580      1.168012
  C      -9.565384     -2.409247      1.424874
  C     -10.299058     -2.053057      0.115082
  C      -9.685268     -2.765377     -1.109351
  C      -9.080240     -4.110786     -0.705420
  C      -7.902335     -3.909523      0.268510
  C      -3.150558     -5.271291      6.953672
  C      -2.298327     -6.096869      5.984848
  C      -2.762797     -7.562170      6.121925
  C      -0.804593     -5.999032      6.387743
  C      -0.215211     -4.587809      6.343911
  C       1.313649     -4.546940      6.277955
  C       1.987815     -5.208807      7.487370
  C       3.515709     -5.149530      7.395379
  C       4.016034     -3.713987      7.214910
  C       3.347084     -3.042589      6.012505
  C       1.821516     -3.107896      6.117773
  H      -4.626990     -0.974836      1.185743
  H      -3.681683     -1.535516     -0.215568
  H      -3.213042     -0.049956      0.617205
  H      -2.097422      0.023006      2.656411
  H      -1.898840     -1.383800      3.731532
  H      -3.538427     -0.707015      3.401569
  H      -1.424693     -2.629566      0.187614
  H      -0.912742     -1.066001      0.799675
  H      -0.783858     -3.582578      2.542037
  H       0.037430     -2.046373      2.816955
  H       1.386512     -2.462216      0.707535
  H      -0.157431     -4.244950     -0.294070
  H       0.369401     -5.321891      1.000958
  H       1.878958     -5.888169     -0.732086
  H       1.939552     -4.249869     -1.380140
  H       3.589741     -3.533394      0.144279
  H       4.039182     -5.227814     -0.030640
  H       2.644449     -5.762039      2.020882
  H       3.972373     -4.663917      2.384694
  H       1.489609     -4.119010      3.244550
  H       2.546209     -2.807797      2.724542
  H      -5.642763     -3.046569      6.173048
  H      -5.703638     -2.144944      4.605393
  H      -7.152266     -2.265862      5.639125
  H      -8.128536     -4.454670      6.162573
  H      -6.582364     -5.303936      6.407219
  H      -7.763658     -5.905944      5.217499
  H      -8.613990     -3.380936      3.991429
  H      -8.013607     -4.689452      2.993129
  H      -7.210595     -1.734480      2.905560
  H      -6.187167     -2.971006      2.174022
  H      -7.697861     -1.794711      0.600647
  H      -9.695155     -1.601919      2.163598
  H     -10.013630     -3.311383      1.873994
  H     -10.269224     -0.963590     -0.042707
  H     -11.362338     -2.323101      0.209222
  H     -10.446591     -2.898244     -1.891948
  H      -8.893812     -2.138422     -1.553205
  H      -9.862217     -4.723071     -0.225739
  H      -8.748374     -4.674990     -1.589872
  H      -6.960820     -3.805837     -0.296830
  H      -7.790851     -4.812611      0.891111
  H      -3.085906     -5.712450      7.958177
  H      -2.808377     -4.233300      7.009558
  H      -4.205059     -5.272555      6.641403
  H      -2.191417     -8.249529      5.483385
  H      -2.628930     -7.895269      7.161090
  H      -3.828504     -7.653185      5.866175
  H      -0.699661     -6.433608      7.394476
  H      -0.218101     -6.652367      5.719686
  H      -0.544101     -4.013616      7.228731
  H      -0.625110     -4.064499      5.464429
  H       1.620946     -5.111703      5.374424
  H       1.654471     -4.685638      8.403581
  H       1.658571     -6.255075      7.585586
  H       3.967029     -5.603185      8.291526
  H       3.846963     -5.757768      6.534698
  H       5.111078     -3.702012      7.100295
  H       3.788607     -3.133225      8.126964
  H       3.679939     -1.996608      5.921440
  H       3.664233     -3.556632      5.087654
  H       1.355290     -2.645440      5.231889
  H       1.492101     -2.518427      6.994301
  N      -3.104822     -2.862605      5.010699
  N      -3.373255     -1.763439      5.869243
  H      -4.388230     -1.611183      6.046926
  H      -2.898588     -1.892110      6.778872
  H      -2.993306     -0.899275      5.440041
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834477009102
  N      -3.310249     -3.167407      2.081631
  C      -3.668664     -3.903812      0.858667
  C      -3.209228     -5.338080      0.951997
  N      -3.728571     -5.911044      2.205543
  C      -5.157309     -6.274684      2.114383
  C      -5.776952     -6.104405      3.486394
  N      -5.479289     -4.757852      3.998592
  Mo     -3.592654     -4.153933      3.825522
  N      -2.487527     -5.637846      4.582935
  C      -1.818288     -6.459451      3.573136
  C      -2.890578     -7.040869      2.671525
  H      -1.228040     -7.267867      4.026418
  H      -1.105561     -5.854846      2.983510
  H      -3.518479     -7.724477      3.258077
  H      -2.482108     -7.597572      1.810157
  H      -6.859668     -6.273223      3.403204
  H      -5.385762     -6.871295      4.180378
  H      -5.649452     -5.587988      1.413387
  H      -5.275446     -7.303356      1.731714
  H      -3.200389     -3.459261     -0.029298
  H      -4.759418     -3.858641      0.683896
  H      -2.111750     -5.363983      0.999968
  H      -3.535964     -5.933323      0.079939
  C      -3.626902     -1.071403      0.768175
  C      -2.710881     -1.831266      1.754273
  C      -2.566956     -0.919799      2.972051
  C      -1.308270     -2.037913      1.118185
  C      -0.294290     -2.728712      2.027248
  C       0.956576     -3.263215      1.321188
  C       0.680023     -4.443496      0.383592
  C       1.930352     -4.805569     -0.444139
  C       3.238980     -4.537967      0.328600
  C       3.022793     -4.719920      1.831490
  C       2.012222     -3.687000      2.367022
  C      -6.258864     -2.786410      5.286900
  C      -6.668135     -4.083098      4.593333
  C      -7.326509     -4.981153      5.658529
  C      -7.704436     -3.751694      3.483982
  C      -7.223392     -2.742457      2.439159
  C      -8.069157     -2.673076      1.157962
  C      -9.557796     -2.411559      1.413914
  C     -10.290410     -2.059262      0.102397
  C      -9.678512     -2.778975     -1.118659
  C      -9.078244     -4.124798     -0.708815
  C      -7.900501     -3.923723      0.265507
  C      -3.146580     -5.261483      6.957471
  C      -2.298539     -6.093505      5.990096
  C      -2.770321     -7.556602      6.131584
  C      -0.804098     -6.002702      6.391082
  C      -0.207528     -4.594626      6.342857
  C       1.321653     -4.561309      6.275957
  C       1.993331     -5.226827      7.484978
  C       3.521460     -5.174465      7.392523
  C       4.028344     -3.741135      7.212874
  C       3.362116     -3.065950      6.011073
  C       1.836344     -3.124557      6.116711
  H      -4.643923     -0.990886      1.179909
  H      -3.691054     -1.548841     -0.217211
  H      -3.236544     -0.056235      0.611155
  H      -2.127818      0.034097      2.649365
  H      -1.911739     -1.366325      3.729542
  H      -3.558889     -0.708442      3.400930
  H      -1.425798     -2.614814      0.188057
  H      -0.925300     -1.051223      0.808723
  H      -0.787343     -3.573055      2.543347
  H       0.029448     -2.035207      2.821794
  H       1.378725     -2.443695      0.709742
  H      -0.162547     -4.229798     -0.291693
  H       0.369192     -5.306281      1.001452
  H       1.877870     -5.866521     -0.735097
  H       1.932670     -4.227523     -1.381545
  H       3.583420     -3.507313      0.140877
  H       4.037759     -5.199956     -0.037000
  H       2.649650     -5.741538      2.016801
  H       3.973680     -4.638550      2.379321
  H       1.489437     -4.105422      3.243680
  H       2.540502     -2.788953      2.726033
  H      -5.647528     -3.026262      6.170762
  H      -5.703246     -2.136134      4.595125
  H      -7.154592     -2.248429      5.625709
  H      -8.134960     -4.431944      6.161833
  H      -6.589314     -5.278973      6.418517
  H      -7.767110     -5.890711      5.230005
  H      -8.611476     -3.374048      3.982941
  H      -8.010475     -4.689429      2.994347
  H      -7.200906     -1.736480      2.890652
  H      -6.181078     -2.979781      2.165675
  H      -7.688474     -1.807639      0.585603
  H      -9.685192     -1.600442      2.148994
  H     -10.008942     -3.310089      1.867444
  H     -10.257309     -0.970587     -0.060501
  H     -11.354604     -2.325379      0.197739
  H     -10.439945     -2.912446     -1.901110
  H      -8.884710     -2.156737     -1.565015
  H      -9.862709     -4.732676     -0.227514
  H      -8.747530     -4.693688     -1.590729
  H      -6.957456     -3.827819     -0.298688
  H      -7.794243     -4.823753      0.893487
  H      -3.085194     -5.700970      7.962946
  H      -2.796238     -4.225952      7.010949
  H      -4.201084     -5.256116      6.645543
  H      -2.202174     -8.248606      5.495052
  H      -2.638573     -7.888121      7.171547
  H      -3.836407     -7.643482      5.875667
  H      -0.700336     -6.435355      7.398765
  H      -0.222642     -6.661328      5.723811
  H      -0.532855     -4.016611      7.226575
  H      -0.615161     -4.070792      5.462719
  H       1.625722     -5.127382      5.372174
  H       1.662539     -4.702476      8.401510
  H       1.659269     -6.271612      7.583257
  H       3.970993     -5.631055      8.288148
  H       3.849692     -5.783745      6.531358
  H       5.123458     -3.734048      7.098079
  H       3.803839     -3.159891      8.125392
  H       3.699494     -2.021321      5.920536
  H       3.676713     -3.580540      5.085575
  H       1.371825     -2.658723      5.231700
  H       1.509603     -2.534343      6.993823
  N      -3.095424     -2.859135      5.010196
  N      -3.372997     -1.765225      5.874820
  H      -4.389937     -1.612357      6.039805
  H      -2.912783     -1.904463      6.790359
  H      -2.984345     -0.898410      5.459569
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834515034522
  N      -3.311557     -3.180260      2.085092
  C      -3.662076     -3.920418      0.861302
  C      -3.209650     -5.356207      0.964756
  N      -3.733014     -5.923017      2.219018
  C      -5.163053     -6.280561      2.129934
  C      -5.780596     -6.106142      3.502760
  N      -5.479543     -4.759096      4.013231
  Mo     -3.591701     -4.159655      3.832580
  N      -2.490154     -5.644240      4.594548
  C      -1.823643     -6.471911      3.587199
  C      -2.898552     -7.053881      2.688527
  H      -1.234568     -7.280081      4.042370
  H      -1.110672     -5.871750      2.993559
  H      -3.527719     -7.733874      3.277919
  H      -2.491982     -7.615044      1.829171
  H      -6.863525     -6.273448      3.420395
  H      -5.390903     -6.873875      4.196482
  H      -5.653393     -5.592736      1.428563
  H      -5.286394     -7.309079      1.748387
  H      -3.180416     -3.483783     -0.023604
  H      -4.750350     -3.870125      0.673144
  H      -2.112396     -5.385821      1.015786
  H      -3.535141     -5.953666      0.093647
  C      -3.651953     -1.091269      0.768417
  C      -2.727115     -1.837868      1.756159
  C      -2.592530     -0.920734      2.971078
  C      -1.321175     -2.029124      1.121386
  C      -0.303261     -2.717900      2.027809
  C       0.949291     -3.244802      1.318600
  C       0.675644     -4.425547      0.380847
  C       1.925009     -4.781015     -0.451138
  C       3.234559     -4.507072      0.317756
  C       3.024110     -4.691811      1.821132
  C       2.009451     -3.665121      2.361209
  C      -6.259147     -2.777552      5.285128
  C      -6.669380     -4.076590      4.595944
  C      -7.337823     -4.965846      5.662313
  C      -7.697542     -3.747330      3.478754
  C      -7.207096     -2.745747      2.431285
  C      -8.049570     -2.675351      1.147732
  C      -9.537028     -2.402958      1.399814
  C     -10.264510     -2.049672      0.085689
  C      -9.654239     -2.776699     -1.131811
  C      -9.064537     -4.125736     -0.717055
  C      -7.888143     -3.930645      0.260172
  C      -3.145208     -5.255343      6.968283
  C      -2.301094     -6.094595      6.003326
  C      -2.778257     -7.555569      6.150894
  C      -0.806266     -6.006967      6.401743
  C      -0.205787     -4.600900      6.345846
  C       1.323250     -4.571051      6.271458
  C       1.999806     -5.241720      7.475026
  C       3.527550     -5.191563      7.374852
  C       4.035849     -3.758342      7.198230
  C       3.364912     -3.077944      6.001931
  C       1.839722     -3.134672      6.115264
  H      -4.669219     -1.019897      1.181085
  H      -3.712558     -1.574270     -0.214465
  H      -3.272568     -0.072740      0.606492
  H      -2.169812      0.038404      2.642200
  H      -1.926070     -1.354171      3.726483
  H      -3.584377     -0.722967      3.406111
  H      -1.430405     -2.599340      0.186145
  H      -0.946631     -1.036620      0.820513
  H      -0.790758     -3.566331      2.542068
  H       0.018003     -2.025304      2.824247
  H       1.365838     -2.422581      0.707053
  H      -0.170162     -4.215435     -0.291638
  H       0.370181     -5.289984      0.999038
  H       1.876822     -5.842073     -0.742468
  H       1.921571     -4.202805     -1.388422
  H       3.573180     -3.474536      0.129927
  H       4.035771     -5.164290     -0.051210
  H       2.657383     -5.715728      2.006473
  H       3.976177     -4.605925      2.366191
  H       1.491328     -4.088257      3.238348
  H       2.533458     -2.764938      2.721160
  H      -5.655943     -3.014538      6.175292
  H      -5.696580     -2.133082      4.593423
  H      -7.155414     -2.234231      5.613833
  H      -8.148039     -4.411350      6.156850
  H      -6.605628     -5.260365      6.428473
  H      -7.778026     -5.877207      5.237408
  H      -8.606069     -3.363896      3.970667
  H      -8.004077     -4.686495      2.992473
  H      -7.179566     -1.738092      2.878885
  H      -6.165711     -2.990313      2.161072
  H      -7.661840     -1.814699      0.573018
  H      -9.660946     -1.589063      2.132451
  H      -9.995203     -3.297084      1.854961
  H     -10.224256     -0.961697     -0.080303
  H     -11.330628     -2.308535      0.179394
  H     -10.414313     -2.906574     -1.916207
  H      -8.854901     -2.161193     -1.577548
  H      -9.854442     -4.727219     -0.236669
  H      -8.735367     -4.698978     -1.596711
  H      -6.942454     -3.844542     -0.301094
  H      -7.791098     -4.828944      0.892039
  H      -3.083121     -5.690412      7.975607
  H      -2.788278     -4.221590      7.015840
  H      -4.200195     -5.246359      6.658788
  H      -2.212607     -8.252171      5.517126
  H      -2.648268     -7.884203      7.192031
  H      -3.844516     -7.639517      5.894739
  H      -0.702789     -6.435246      7.411358
  H      -0.228168     -6.670902      5.736975
  H      -0.525217     -4.018549      7.228918
  H      -0.615458     -4.078142      5.465948
  H       1.621276     -5.134869      5.364322
  H       1.674225     -4.720126      8.394933
  H       1.664500     -6.286299      7.571747
  H       3.981053     -5.652793      8.266104
  H       3.850345     -5.798035      6.509687
  H       5.130461     -3.752462      7.078517
  H       3.816534     -3.180050      8.113807
  H       3.703234     -2.033439      5.913295
  H       3.674224     -3.589285      5.072882
  H       1.371204     -2.664066      5.234925
  H       1.518197     -2.547526      6.996324
  N      -3.088823     -2.862224      5.011945
  N      -3.371590     -1.773857      5.883267
  H      -4.390047     -1.614428      6.031506
  H      -2.933125     -1.928524      6.807076
  H      -2.967076     -0.906145      5.486565
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834548345031
  N      -3.310837     -3.199992      2.090271
  C      -3.647162     -3.945681      0.865528
  C      -3.206815     -5.383879      0.984384
  N      -3.738439     -5.939384      2.239567
  C      -5.170219     -6.287049      2.150945
  C      -5.786541     -6.105995      3.523777
  N      -5.480500     -4.758413      4.031029
  Mo     -3.590363     -4.167848      3.842927
  N      -2.494505     -5.652800      4.612998
  C      -1.832540     -6.490076      3.609841
  C      -2.911301     -7.072392      2.715819
  H      -1.246036     -7.298205      4.068296
  H      -1.118241     -5.897519      3.010385
  H      -3.543963     -7.745286      3.309634
  H      -2.508036     -7.641569      1.860195
  H      -6.869787     -6.270924      3.441464
  H      -5.399617     -6.873758      4.218863
  H      -5.655366     -5.596425      1.448421
  H      -5.301640     -7.315134      1.770720
  H      -3.144299     -3.520781     -0.013544
  H      -4.731250     -3.886951      0.656436
  H      -2.109973     -5.419748      1.041465
  H      -3.529977     -5.985246      0.115090
  C      -3.686845     -1.122222      0.767869
  C      -2.749750     -1.848005      1.758960
  C      -2.632022     -0.923719      2.970663
  C      -1.339147     -2.015240      1.127688
  C      -0.314769     -2.698863      2.030953
  C       0.940193     -3.214662      1.317369
  C       0.670375     -4.395433      0.378626
  C       1.918498     -4.742390     -0.458573
  C       3.228992     -4.461151      0.305888
  C       3.025323     -4.649834      1.809666
  C       2.005958     -3.630848      2.355715
  C      -6.259610     -2.761898      5.277564
  C      -6.672036     -4.064734      4.596312
  C      -7.352951     -4.941040      5.665311
  C      -7.689456     -3.740024      3.468870
  C      -7.186382     -2.751429      2.415721
  C      -8.025652     -2.680252      1.130058
  C      -9.510602     -2.390572      1.377597
  C     -10.231627     -2.036610      0.060154
  C      -9.625875     -2.776040     -1.152023
  C      -9.052030     -4.129410     -0.729275
  C      -7.876219     -3.942665      0.250285
  C      -3.141664     -5.245475      6.985554
  C      -2.304807     -6.095835      6.023735
  C      -2.789938     -7.552822      6.180986
  C      -0.808731     -6.012657      6.417928
  C      -0.201925     -4.609874      6.350995
  C       1.326621     -4.586030      6.264487
  C       2.010880     -5.265360      7.458720
  C       3.537872     -5.219601      7.345526
  C       4.049288     -3.786972      7.173062
  C       3.370774     -3.097991      5.985938
  C       1.846564     -3.150529      6.112326
  H      -4.704179     -1.063943      1.182063
  H      -3.741846     -1.613803     -0.210992
  H      -3.323450     -0.099149      0.598401
  H      -2.235725      0.043912      2.633772
  H      -1.949331     -1.335526      3.723518
  H      -3.624321     -0.748688      3.413740
  H      -1.435491     -2.576959      0.185967
  H      -0.977462     -1.014664      0.838408
  H      -0.793798     -3.553210      2.543053
  H       0.002382     -2.006559      2.829318
  H       1.349237     -2.388600      0.706133
  H      -0.179366     -4.189237     -0.290118
  H       0.371711     -5.262195      0.996800
  H       1.875799     -5.803420     -0.750768
  H       1.908073     -4.163488     -1.395321
  H       3.560491     -3.426311      0.118373
  H       4.033061     -5.112523     -0.067203
  H       2.666015     -5.676436      1.994350
  H       3.978788     -4.558888      2.351348
  H       1.493414     -4.059924      3.233130
  H       2.525086     -2.728412      2.716921
  H      -5.668888     -2.994224      6.177164
  H      -5.685768     -2.127129      4.586294
  H      -7.155973     -2.209811      5.591226
  H      -8.163861     -4.377856      6.148692
  H      -6.627141     -5.232009      6.438863
  H      -7.794452     -5.854224      5.246025
  H      -8.599576     -3.347432      3.950509
  H      -7.996742     -4.682222      2.989206
  H      -7.149312     -1.740954      2.856307
  H      -6.147263     -3.008492      2.149021
  H      -7.627533     -1.827444      0.550890
  H      -9.627620     -1.571694      2.105764
  H      -9.979282     -3.277307      1.836382
  H     -10.180123     -0.950007     -0.111396
  H     -11.300493     -2.284127      0.152759
  H     -10.384950     -2.901254     -1.938111
  H      -8.818723     -2.171305     -1.598252
  H      -9.849523     -4.720339     -0.248456
  H      -8.726731     -4.710088     -1.605439
  H      -6.927997     -3.871080     -0.308601
  H      -7.791563     -4.838085      0.887858
  H      -3.079434     -5.675689      7.994905
  H      -2.774582     -4.214957      7.027318
  H      -4.197096     -5.229509      6.678401
  H      -2.229681     -8.256400      5.550274
  H      -2.659996     -7.876387      7.223727
  H      -3.857053     -7.631740      5.927108
  H      -0.704724     -6.434534      7.430238
  H      -0.235321     -6.683812      5.756549
  H      -0.511682     -4.021214      7.233347
  H      -0.614975     -4.088967      5.471459
  H       1.614525     -5.146092      5.351825
  H       1.694591     -4.748135      8.384182
  H       1.673101     -6.309410      7.552539
  H       3.997760     -5.687955      8.229722
  H       3.851111     -5.821853      6.474009
  H       5.142915     -3.783822      7.044773
  H       3.839100     -3.213102      8.093418
  H       3.711552     -2.054075      5.900034
  H       3.670728     -3.604841      5.051526
  H       1.371756     -2.672777      5.239271
  H       1.534619     -2.567869      6.999673
  N      -3.080668     -2.866889      5.015491
  N      -3.366021     -1.790668      5.901114
  H      -4.385130     -1.619817      6.029959
  H      -2.954423     -1.970613      6.832911
  H      -2.939315     -0.921356      5.533570
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834563461240
  N      -3.310341     -3.206756      2.091642
  C      -3.641629     -3.953217      0.866334
  C      -3.204865     -5.392222      0.988612
  N      -3.739100     -5.944528      2.243913
  C      -5.171208     -6.289483      2.154205
  C      -5.788183     -6.106835      3.526493
  N      -5.481089     -4.759273      4.032992
  Mo     -3.590264     -4.172101      3.844925
  N      -2.496105     -5.656831      4.618039
  C      -1.835194     -6.496103      3.615673
  C      -2.914502     -7.078323      2.722466
  H      -1.249314     -7.304390      4.074574
  H      -1.120309     -5.905387      3.015085
  H      -3.548775     -7.748979      3.317111
  H      -2.511908     -7.649877      1.868097
  H      -6.871427     -6.271558      3.443661
  H      -5.401885     -6.873926      4.222702
  H      -5.653701     -5.597413      1.451234
  H      -5.305000     -7.317267      1.773892
  H      -3.132373     -3.530886     -0.010385
  H      -4.724495     -3.891584      0.651059
  H      -2.108110     -5.429536      1.047514
  H      -3.527074     -5.994629      0.119761
  C      -3.694209     -1.131096      0.767902
  C      -2.755290     -1.851798      1.760580
  C      -2.643617     -0.927048      2.972699
  C      -1.343252     -2.012314      1.131703
  C      -0.316817     -2.693230      2.034854
  C       0.937386     -3.209078      1.319801
  C       0.665902     -4.392049      0.384211
  C       1.912154     -4.741031     -0.454766
  C       3.224159     -4.457836      0.306289
  C       3.023489     -4.642987      1.810878
  C       2.005538     -3.622486      2.356703
  C      -6.259248     -2.759843      5.274184
  C      -6.673377     -4.062820      4.594102
  C      -7.357301     -4.936647      5.663058
  C      -7.687838     -3.738300      3.464522
  C      -7.181593     -2.752003      2.411095
  C      -8.020046     -2.678840      1.125190
  C      -9.504268     -2.385029      1.371602
  C     -10.223435     -2.029309      0.053662
  C      -9.618602     -2.770331     -1.157974
  C      -9.048755     -4.125193     -0.734729
  C      -7.873071     -3.941604      0.245563
  C      -3.138287     -5.244937      6.990679
  C      -2.304088     -6.097911      6.028908
  C      -2.789604     -7.553875      6.189833
  C      -0.807237     -6.013421      6.420984
  C      -0.201524     -4.610232      6.352564
  C       1.326665     -4.584801      6.260509
  C       2.016290     -5.269070      7.448614
  C       3.542772     -5.220945      7.329488
  C       4.051805     -3.786881      7.161954
  C       3.367962     -3.093156      5.980679
  C       1.844327     -3.147993      6.112942
  H      -4.711209     -1.073870      1.182744
  H      -3.748595     -1.625740     -0.209383
  H      -3.333006     -0.107734      0.595664
  H      -2.255897      0.043776      2.634788
  H      -1.956274     -1.332195      3.724771
  H      -3.636334     -0.760110      3.417775
  H      -1.435239     -2.572625      0.188786
  H      -0.984848     -1.009914      0.844842
  H      -0.793939     -3.547603      2.548658
  H       0.000589     -1.999358      2.831690
  H       1.344474     -2.384094      0.705875
  H      -0.185354     -4.187356     -0.282953
  H       0.368707     -5.257304      1.005176
  H       1.869107     -5.802835     -0.743996
  H       1.899702     -4.164534     -1.392935
  H       3.555085     -3.423423      0.115593
  H       4.027490     -5.110074     -0.066799
  H       2.664105     -5.669009      1.998487
  H       3.978101     -4.551108      2.350322
  H       1.494963     -4.049233      3.236302
  H       2.525798     -2.719315      2.714243
  H      -5.673477     -2.992538      6.176863
  H      -5.680257     -2.128123      4.584558
  H      -7.154935     -2.204191      5.583549
  H      -8.166976     -4.370456      6.144991
  H      -6.633109     -5.229271      6.437439
  H      -7.800929     -5.848834      5.243968
  H      -8.598669     -3.344219      3.943502
  H      -7.994301     -4.681120      2.985535
  H      -7.141259     -1.741393      2.851039
  H      -6.143383     -3.012844      2.144780
  H      -7.619034     -1.827236      0.546244
  H      -9.619357     -1.565660      2.099477
  H      -9.975758     -3.270378      1.830122
  H     -10.169205     -0.942875     -0.117882
  H     -11.292901     -2.274441      0.145455
  H     -10.377251     -2.893533     -1.944749
  H      -8.809451     -2.167621     -1.603258
  H      -9.848126     -4.713972     -0.254444
  H      -8.724415     -4.706662     -1.610697
  H      -6.924518     -3.872284     -0.313021
  H      -7.790995     -4.837281      0.883060
  H      -3.074304     -5.673903      8.000433
  H      -2.769745     -4.214943      7.031197
  H      -4.194139     -5.228165      6.684881
  H      -2.231261     -8.258949      5.559258
  H      -2.657344     -7.875211      7.232961
  H      -3.857335     -7.632224      5.938574
  H      -0.701455     -6.434315      7.433536
  H      -0.233595     -6.684333      5.759624
  H      -0.508416     -4.021826      7.236047
  H      -0.617812     -4.089601      5.474331
  H       1.611367     -5.140146      5.343953
  H       1.703117     -4.756945      8.377902
  H       1.680226     -6.314002      7.538298
  H       4.006855     -5.692987      8.209477
  H       3.853137     -5.818453      6.453728
  H       5.144903     -3.781836      7.029556
  H       3.844287     -3.217634      8.085731
  H       3.707266     -2.048496      5.898395
  H       3.664892     -3.595318      5.042880
  H       1.365449     -2.666830      5.243987
  H       1.535549     -2.569985      7.004352
  N      -3.080607     -2.871402      5.017163
  N      -3.363085     -1.801871      5.910679
  H      -4.381756     -1.627710      6.038692
  H      -2.954579     -1.990860      6.842172
  H      -2.931758     -0.931103      5.552234
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834576499479
  N      -3.310280     -3.210270      2.091613
  C      -3.639584     -3.957143      0.866728
  C      -3.203406     -5.396323      0.989573
  N      -3.738594     -5.947004      2.245171
  C      -5.170671     -6.291628      2.154128
  C      -5.788723     -6.107626      3.525566
  N      -5.482342     -4.759527      4.030210
  Mo     -3.591126     -4.174213      3.845004
  N      -2.498355     -5.658629      4.621389
  C      -1.837010     -6.498303      3.619894
  C      -2.915273     -7.080715      2.726082
  H      -1.251971     -7.306771      4.079550
  H      -1.120856     -5.908185      3.020039
  H      -3.551006     -7.750164      3.320541
  H      -2.512000     -7.653497      1.872835
  H      -6.871841     -6.273321      3.442810
  H      -5.401557     -6.872433      4.223927
  H      -5.651344     -5.599135      1.450391
  H      -5.305051     -7.319577      1.774386
  H      -3.129315     -3.534668     -0.009359
  H      -4.722402     -3.894781      0.650648
  H      -2.106628     -5.433369      1.049014
  H      -3.525209     -5.999570      0.121268
  C      -3.694691     -1.134024      0.766549
  C      -2.757057     -1.853749      1.760963
  C      -2.649422     -0.930022      2.974271
  C      -1.344275     -2.011918      1.134758
  C      -0.316493     -2.689147      2.039374
  C       0.937293     -3.206060      1.324220
  C       0.665259     -4.391274      0.391420
  C       1.911000     -4.742958     -0.447084
  C       3.223485     -4.458735      0.312760
  C       3.022927     -4.639794      1.817832
  C       2.006586     -3.616450      2.361103
  C      -6.259727     -2.759540      5.269576
  C      -6.675284     -4.062434      4.590502
  C      -7.358963     -4.935723      5.659991
  C      -7.689491     -3.738483      3.460913
  C      -7.183410     -2.751491      2.408191
  C      -8.022033     -2.676761      1.122748
  C      -9.506221     -2.383587      1.369145
  C     -10.225338     -2.026699      0.051484
  C      -9.619702     -2.765691     -1.160989
  C      -9.049363     -4.120808     -0.739372
  C      -7.873824     -3.937891      0.241248
  C      -3.134410     -5.243410      6.994776
  C      -2.303170     -6.098110      6.032181
  C      -2.788717     -7.553207      6.196027
  C      -0.805283     -6.012968      6.421971
  C      -0.200088     -4.609450      6.353627
  C       1.327801     -4.583819      6.257239
  C       2.021070     -5.271894      7.440724
  C       3.547187     -5.223378      7.316909
  C       4.055791     -3.788869      7.151817
  C       3.368208     -3.091570      5.974870
  C       1.844948     -3.146551      6.111839
  H      -4.711370     -1.073512      1.181586
  H      -3.749947     -1.630556     -0.209648
  H      -3.331111     -0.111839      0.592450
  H      -2.266314      0.043155      2.637508
  H      -1.960302     -1.331973      3.726260
  H      -3.643021     -0.768216      3.419205
  H      -1.433730     -2.574019      0.192720
  H      -0.987117     -1.009388      0.846812
  H      -0.792783     -3.542652      2.555596
  H       0.000853     -1.992658      2.833830
  H       1.343397     -2.382397      0.707845
  H      -0.186135     -4.187680     -0.275712
  H       0.368356     -5.254941      1.014744
  H       1.867549     -5.805543     -0.733315
  H       1.898478     -4.168761     -1.386645
  H       3.554856     -3.424966      0.119330
  H       4.026170     -5.112650     -0.058666
  H       2.661798     -5.664748      2.007893
  H       3.977832     -4.547864      2.356717
  H       1.496580     -4.039404      3.242745
  H       2.528579     -2.712648      2.714354
  H      -5.676880     -2.993476      6.173896
  H      -5.676923     -2.130374      4.580970
  H      -7.154109     -2.200848      5.577266
  H      -8.166337     -4.367389      6.143298
  H      -6.634784     -5.231313      6.433192
  H      -7.805648     -5.846177      5.240361
  H      -8.601081     -3.345506      3.939241
  H      -7.993914     -4.681795      2.981434
  H      -7.141682     -1.741373      2.849041
  H      -6.145663     -3.013583      2.141211
  H      -7.620934     -1.824209      0.545170
  H      -9.621149     -1.564796      2.097647
  H      -9.977627     -3.269498      1.826646
  H     -10.172016     -0.940022     -0.118571
  H     -11.294515     -2.273287      0.142647
  H     -10.377989     -2.888279     -1.948164
  H      -8.810625     -2.161802     -1.604814
  H      -9.848608     -4.710418     -0.259894
  H      -8.724610     -4.700914     -1.616080
  H      -6.925612     -3.866586     -0.317689
  H      -7.790848     -4.834715      0.877010
  H      -3.068095     -5.671304      8.004829
  H      -2.766423     -4.213375      7.034084
  H      -4.190928     -5.227189      6.690624
  H      -2.232233     -8.259215      5.564980
  H      -2.653572     -7.872601      7.239364
  H      -3.857154     -7.631100      5.947763
  H      -0.697612     -6.433981      7.434266
  H      -0.231465     -6.682911      5.759774
  H      -0.504474     -4.022104      7.238608
  H      -0.618973     -4.088504      5.476783
  H       1.609545     -5.136234      5.337935
  H       1.711076     -4.762903      8.372790
  H       1.685433     -6.317161      7.527463
  H       4.014069     -5.697646      8.194175
  H       3.854681     -5.818237      6.438341
  H       5.148399     -3.783628      7.015719
  H       3.851199     -3.222299      8.077902
  H       3.707475     -2.046754      5.894794
  H       3.662015     -3.591237      5.034814
  H       1.363439     -2.663381      5.245461
  H       1.539443     -2.571025      7.005933
  N      -3.083067     -2.873403      5.016914
  N      -3.364500     -1.807282      5.913909
  H      -4.383075     -1.639939      6.051852
  H      -2.944392     -1.993304      6.840864
  H      -2.942808     -0.933174      5.551749
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834581265735
  N      -3.310469     -3.218402      2.091953
  C      -3.638368     -3.966356      0.867714
  C      -3.204473     -5.405901      0.993037
  N      -3.740785     -5.953890      2.249315
  C      -5.173601     -6.296036      2.159201
  C      -5.790281     -6.109943      3.531010
  N      -5.482406     -4.761468      4.033300
  Mo     -3.590465     -4.179318      3.846765
  N      -2.499757     -5.664788      4.624843
  C      -1.839955     -6.506363      3.624316
  C      -2.919311     -7.088255      2.731705
  H      -1.256185     -7.315191      4.084956
  H      -1.122695     -5.918095      3.023791
  H      -3.555957     -7.755899      3.327178
  H      -2.517229     -7.662765      1.879046
  H      -6.873625     -6.274877      3.449932
  H      -5.402749     -6.873721      4.230302
  H      -5.653504     -5.602876      1.455613
  H      -5.310139     -7.323984      1.780185
  H      -3.125623     -3.545436     -0.007757
  H      -4.720690     -3.902581      0.649371
  H      -2.107764     -5.444377      1.052721
  H      -3.527084     -6.010056      0.125683
  C      -3.703595     -1.144985      0.764257
  C      -2.763493     -1.859192      1.760424
  C      -2.660677     -0.933105      2.972326
  C      -1.350026     -2.012251      1.135001
  C      -0.319594     -2.685540      2.039759
  C       0.934334     -3.200478      1.323404
  C       0.663412     -4.387249      0.392227
  C       1.908744     -4.737814     -0.447339
  C       3.221781     -4.450623      0.310503
  C       3.023234     -4.630028      1.816038
  C       2.006210     -3.607282      2.359067
  C      -6.258477     -2.758299      5.268392
  C      -6.675110     -4.061285      4.590552
  C      -7.362131     -4.931845      5.660233
  C      -7.686775     -3.737460      3.458596
  C      -7.177583     -2.750976      2.406817
  C      -8.015048     -2.673305      1.120825
  C      -9.498945     -2.378023      1.366175
  C     -10.216363     -2.018626      0.048218
  C      -9.610276     -2.756570     -1.164665
  C      -9.042394     -4.113166     -0.744470
  C      -7.867773     -3.933449      0.237894
  C      -3.132667     -5.244561      6.997998
  C      -2.302606     -6.101274      6.036204
  C      -2.788129     -7.556056      6.203727
  C      -0.804324     -6.015136      6.424193
  C      -0.200610     -4.610984      6.354512
  C       1.327172     -4.583973      6.255905
  C       2.022836     -5.273350      7.437130
  C       3.548744     -5.223181      7.311157
  C       4.055910     -3.788030      7.147227
  C       3.365857     -3.089489      5.972493
  C       1.842848     -3.146042      6.111663
  H      -4.720085     -1.084664      1.179900
  H      -3.758619     -1.645048     -0.210150
  H      -3.341909     -0.122786      0.586423
  H      -2.285241      0.042457      2.633726
  H      -1.967363     -1.328613      3.723894
  H      -3.654613     -0.777777      3.418759
  H      -1.436890     -2.574895      0.193035
  H      -0.996482     -1.008477      0.846849
  H      -0.793228     -3.539598      2.557582
  H      -0.002990     -1.987106      2.832769
  H       1.337656     -2.376599      0.705437
  H      -0.189096     -4.185839     -0.274112
  H       0.368720     -5.250662      1.016997
  H       1.866731     -5.800842     -0.732168
  H       1.894154     -4.164756     -1.387579
  H       3.551307     -3.416548      0.115408
  H       4.024991     -5.103836     -0.061019
  H       2.663519     -5.655194      2.007715
  H       3.978643     -4.536212      2.353724
  H       1.498437     -4.029391      3.242410
  H       2.527573     -2.702060      2.709655
  H      -5.679904     -2.992937      6.175389
  H      -5.671010     -2.132381      4.580830
  H      -7.151908     -2.196119      5.572432
  H      -8.168226     -4.360697      6.142357
  H      -6.639643     -5.229263      6.434328
  H      -7.811286     -5.841104      5.240555
  H      -8.599234     -3.343868      3.934772
  H      -7.990501     -4.680787      2.978651
  H      -7.133338     -1.741339      2.848501
  H      -6.140348     -3.015797      2.140340
  H      -7.612018     -1.820668      0.544667
  H      -9.613055     -1.559726      2.095380
  H      -9.972220     -3.263612      1.822393
  H     -10.161823     -0.931769     -0.120313
  H     -11.285860     -2.264401      0.137952
  H     -10.367781     -2.876847     -1.952952
  H      -8.799758     -2.153097     -1.606462
  H      -9.843154     -4.702300     -0.266896
  H      -8.717396     -4.692389     -1.621682
  H      -6.918776     -3.862780     -0.319811
  H      -7.786934     -4.831374      0.872417
  H      -3.065422     -5.670180      8.008953
  H      -2.764632     -4.214479      7.034994
  H      -4.189513     -5.229016      6.694793
  H      -2.232323     -8.263395      5.573554
  H      -2.651892     -7.873287      7.247584
  H      -3.856835     -7.634323      5.956700
  H      -0.695151     -6.435461      7.436589
  H      -0.230542     -6.684862      5.761725
  H      -0.504192     -4.023762      7.239859
  H      -0.621297     -4.090762      5.478083
  H       1.607903     -5.134790      5.335284
  H       1.713851     -4.766245      8.370599
  H       1.688353     -6.319096      7.522430
  H       4.017316     -5.698095      8.187176
  H       3.855503     -5.816572      6.431312
  H       5.148278     -3.781746      7.009256
  H       3.852367     -3.222962      8.074495
  H       3.704069     -2.044236      5.893663
  H       3.658587     -3.587437      5.031168
  H       1.359605     -2.662181      5.246633
  H       1.538278     -2.572045      7.007079
  N      -3.078824     -2.877171      5.015843
  N      -3.360135     -1.814487      5.917010
  H      -4.378670     -1.652047      6.061195
  H      -2.933417     -2.000703      6.840937
  H      -2.944560     -0.937583      5.554465
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834587463254
  N      -3.309827     -3.221782      2.089949
  C      -3.638520     -3.969693      0.866079
  C      -3.205651     -5.409461      0.991535
  N      -3.741609     -5.956809      2.248317
  C      -5.175060     -6.297670      2.159815
  C      -5.790112     -6.110062      3.532243
  N      -5.480761     -4.761265      4.032612
  Mo     -3.588186     -4.182394      3.845005
  N      -2.500193     -5.670064      4.623932
  C      -1.840863     -6.511083      3.623009
  C      -2.920698     -7.091766      2.730364
  H      -1.257927     -7.320809      4.083240
  H      -1.122811     -5.922994      3.023178
  H      -3.557602     -7.759192      3.325783
  H      -2.519233     -7.666165      1.877335
  H      -6.873703     -6.274079      3.452981
  H      -5.402171     -6.873246      4.231961
  H      -5.655266     -5.604507      1.456491
  H      -5.312715     -7.325744      1.781600
  H      -3.126007     -3.548853     -0.009605
  H      -4.720862     -3.905438      0.648151
  H      -2.108971     -5.449004      1.050334
  H      -3.529766     -6.013577      0.124711
  C      -3.704560     -1.148235      0.761681
  C      -2.764460     -1.861583      1.758657
  C      -2.663278     -0.934774      2.970056
  C      -1.350669     -2.013749      1.133856
  C      -0.319385     -2.684365      2.039897
  C       0.934611     -3.199736      1.324014
  C       0.664584     -4.388651      0.395322
  C       1.910111     -4.739989     -0.443674
  C       3.223181     -4.450896      0.313517
  C       3.024490     -4.627202      1.819432
  C       2.007744     -3.602938      2.359931
  C      -6.254646     -2.755672      5.266278
  C      -6.672365     -4.058931      4.589772
  C      -7.360309     -4.927663      5.660508
  C      -7.684241     -3.736012      3.457456
  C      -7.175591     -2.748954      2.405801
  C      -8.014603     -2.670139      1.120808
  C      -9.498263     -2.375338      1.368237
  C     -10.217807     -2.015964      0.051343
  C      -9.612796     -2.752829     -1.162740
  C      -9.043868     -4.109454     -0.743959
  C      -7.867929     -3.929555      0.236818
  C      -3.133875     -5.250524      6.996836
  C      -2.302131     -6.105845      6.035210
  C      -2.785911     -7.561502      6.202813
  C      -0.804074     -6.017915      6.423131
  C      -0.203065     -4.612396      6.354740
  C       1.324706     -4.582415      6.256051
  C       2.021776     -5.271784      7.436433
  C       3.547610     -5.218604      7.310457
  C       4.052205     -3.782414      7.147540
  C       3.360592     -3.083881      5.973716
  C       1.837700     -3.143390      6.113010
  H      -4.720649     -1.084564      1.177877
  H      -3.761356     -1.650393     -0.211529
  H      -3.340812     -0.127226      0.581197
  H      -2.291346      0.042033      2.631212
  H      -1.967722     -1.328015      3.720858
  H      -3.657286     -0.782473      3.417408
  H      -1.436598     -2.577944      0.192697
  H      -0.998324     -1.009951      0.844196
  H      -0.792315     -3.537559      2.559708
  H      -0.002948     -1.983888      2.831173
  H       1.336596     -2.376656      0.704043
  H      -0.188062     -4.189206     -0.271451
  H       0.370579     -5.251017      1.021876
  H       1.868577     -5.803580     -0.726512
  H       1.895202     -4.168636     -1.384959
  H       3.552419     -3.417079      0.116420
  H       4.026530     -5.104702     -0.056674
  H       2.664278     -5.651848      2.013092
  H       3.979801     -4.532610      2.357178
  H       1.501122     -4.022107      3.245376
  H       2.529418     -2.696430      2.706808
  H      -5.677713     -2.990713      6.174430
  H      -5.664860     -2.131942      4.578879
  H      -7.147125     -2.191323      5.568969
  H      -8.163997     -4.354193      6.143879
  H      -6.637735     -5.227552      6.433594
  H      -7.813036     -5.835308      5.241069
  H      -8.597135     -3.343250      3.933561
  H      -7.987158     -4.679515      2.977265
  H      -7.130006     -1.739764      2.848322
  H      -6.138878     -3.014532      2.138002
  H      -7.612492     -1.816903      0.544873
  H      -9.611414     -1.557110      2.097697
  H      -9.970687     -3.261062      1.825083
  H     -10.164561     -0.928972     -0.116794
  H     -11.286936     -2.262887      0.142451
  H     -10.371213     -2.872893     -1.950197
  H      -8.802975     -2.148764     -1.605056
  H      -9.843847     -4.698925     -0.265439
  H      -8.719896     -4.688306     -1.621807
  H      -6.919830     -3.857725     -0.322274
  H      -7.785429     -4.827939      0.870543
  H      -3.066591     -5.675535      8.008046
  H      -2.767853     -4.219753      7.033613
  H      -4.190658     -5.236949      6.693277
  H      -2.228685     -8.268150      5.573058
  H      -2.650052     -7.878602      7.246766
  H      -3.854332     -7.641225      5.954920
  H      -0.694207     -6.439051      7.435097
  H      -0.229151     -6.685939      5.759908
  H      -0.507663     -4.026832      7.240870
  H      -0.624900     -4.092106      5.478929
  H       1.606339     -5.131822      5.334841
  H       1.712042     -4.766289      8.370569
  H       1.689284     -6.318265      7.520485
  H       4.017025     -5.693167      8.186231
  H       3.855489     -5.810810      6.430174
  H       5.144511     -3.774131      7.009119
  H       3.848003     -3.218529      8.075420
  H       3.696866     -2.037905      5.896055
  H       3.653872     -3.580313      5.031724
  H       1.353457     -2.659733      5.248396
  H       1.532153     -2.570706      7.008982
  N      -3.073828     -2.880064      5.012859
  N      -3.351443     -1.819267      5.917380
  H      -4.369237     -1.665347      6.075866
  H      -2.909311     -2.000888      6.834919
  H      -2.949163     -0.939062      5.547591
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834593805855
  N      -3.310665     -3.227491      2.085921
  C      -3.639285     -3.976809      0.862797
  C      -3.207479     -5.416636      0.990307
  N      -3.742790     -5.962252      2.248236
  C      -5.176956     -6.301653      2.162393
  C      -5.789801     -6.111200      3.535604
  N      -5.478342     -4.761702      4.033303
  Mo     -3.585268     -4.186550      3.842336
  N      -2.500591     -5.676485      4.623289
  C      -1.841470     -6.517356      3.622250
  C      -2.922059     -7.097563      2.730130
  H      -1.258873     -7.327597      4.082163
  H      -1.123175     -5.929638      3.022401
  H      -3.558744     -7.764715      3.326090
  H      -2.521368     -7.672131      1.876859
  H      -6.873690     -6.274067      3.458533
  H      -5.401586     -6.873807      4.235777
  H      -5.657786     -5.609237      1.458772
  H      -5.315851     -7.330186      1.785971
  H      -3.126191     -3.557312     -0.013244
  H      -4.721459     -3.912494      0.644157
  H      -2.110823     -5.457454      1.048257
  H      -3.533131     -6.021513      0.124557
  C      -3.709946     -1.156174      0.754714
  C      -2.769102     -1.865906      1.753677
  C      -2.671858     -0.936633      2.963504
  C      -1.354112     -2.015214      1.130540
  C      -0.322203     -2.682138      2.038745
  C       0.933161     -3.196376      1.324542
  C       0.665918     -4.386996      0.397347
  C       1.912789     -4.737371     -0.440105
  C       3.224816     -4.446166      0.318215
  C       3.024263     -4.620733      1.824130
  C       2.006668     -3.595861      2.361665
  C      -6.247689     -2.753386      5.266134
  C      -6.668038     -4.056252      4.590294
  C      -7.358251     -4.922708      5.661643
  C      -7.679610     -3.732688      3.457681
  C      -7.170485     -2.745396      2.406426
  C      -8.010461     -2.665135      1.121997
  C      -9.493937     -2.370327      1.370940
  C     -10.215091     -2.011050      0.054817
  C      -9.610954     -2.747214     -1.160111
  C      -9.041633     -4.104011     -0.742274
  C      -7.864581     -3.924075      0.237130
  C      -3.137346     -5.257278      6.995249
  C      -2.302617     -6.111006      6.034746
  C      -2.784500     -7.567661      6.202495
  C      -0.805077     -6.021208      6.423377
  C      -0.206103     -4.614617      6.355706
  C       1.321588     -4.582141      6.256650
  C       2.020140     -5.270551      7.436760
  C       3.545868     -5.215239      7.310136
  C       4.048461     -3.778381      7.146689
  C       3.355070     -3.080616      5.973434
  C       1.832365     -3.142309      6.113638
  H      -4.725930     -1.090447      1.170836
  H      -3.767338     -1.661705     -0.216695
  H      -3.345836     -0.135946      0.570492
  H      -2.305400      0.041671      2.623104
  H      -1.973272     -1.325294      3.713976
  H      -3.666243     -0.788844      3.411612
  H      -1.437574     -2.580868      0.190004
  H      -1.004162     -1.010833      0.839926
  H      -0.793988     -3.535064      2.559890
  H      -0.007501     -1.979522      2.828847
  H       1.333764     -2.373372      0.703532
  H      -0.186377     -4.189760     -0.270625
  H       0.372544     -5.248991      1.024686
  H       1.872747     -5.801253     -0.722116
  H       1.898182     -4.166811     -1.381881
  H       3.553443     -3.412283      0.120372
  H       4.029137     -5.099734     -0.050305
  H       2.663821     -5.645182      2.018499
  H       3.978715     -4.525390      2.363281
  H       1.500702     -4.012848      3.248537
  H       2.527635     -2.687889      2.705859
  H      -5.673395     -2.989732      6.175862
  H      -5.654238     -2.132088      4.579890
  H      -7.138855     -2.186028      5.566900
  H      -8.158701     -4.346097      6.146629
  H      -6.635874     -5.226336      6.433477
  H      -7.815867     -5.827935      5.242240
  H      -8.592635     -3.340042      3.933737
  H      -7.982567     -4.675888      2.976959
  H      -7.123349     -1.736663      2.849808
  H      -6.134315     -3.012100      2.137786
  H      -7.608835     -1.811474      0.546387
  H      -9.606260     -1.552038      2.100493
  H      -9.965917     -3.255944      1.828436
  H     -10.162883     -0.923969     -0.113140
  H     -11.283947     -2.258797      0.147024
  H     -10.370032     -2.866854     -1.947019
  H      -8.801450     -2.142974     -1.602795
  H      -9.841132     -4.693417     -0.262832
  H      -8.718701     -4.682875     -1.620503
  H      -6.917195     -3.851499     -0.323066
  H      -7.780816     -4.822746      0.870324
  H      -3.071455     -5.681828      8.006738
  H      -2.773141     -4.225905      7.032344
  H      -4.193642     -5.245324      6.690071
  H      -2.224912     -8.273835      5.574259
  H      -2.650415     -7.884251      7.246833
  H      -3.852261     -7.649283      5.952310
  H      -0.694970     -6.442788      7.435147
  H      -0.229278     -6.688131      5.759787
  H      -0.511359     -4.030341      7.242538
  H      -0.628945     -4.094229      5.480488
  H       1.603779     -5.131100      5.335348
  H       1.710190     -4.765495      8.371076
  H       1.689154     -6.317509      7.520939
  H       4.016234     -5.688893      8.185906
  H       3.854275     -5.807285      6.429918
  H       5.140649     -3.768720      7.007329
  H       3.844376     -3.214706      8.074741
  H       3.689827     -2.034140      5.895778
  H       3.648123     -3.576451      5.031044
  H       1.346954     -2.659144      5.249394
  H       1.526314     -2.570174      7.009844
  N      -3.067928     -2.883178      5.007232
  N      -3.340538     -1.824330      5.915597
  H      -4.357006     -1.681975      6.092741
  H      -2.878834     -1.999276      6.824671
  H      -2.956305     -0.940015      5.536223
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834599212605
  N      -3.311245     -3.229580      2.081387
  C      -3.641367     -3.979043      0.858631
  C      -3.209670     -5.418885      0.985784
  N      -3.743049     -5.964557      2.244586
  C      -5.177574     -6.303143      2.161539
  C      -5.788020     -6.111578      3.535757
  N      -5.474670     -4.762041      4.032572
  Mo     -3.581465     -4.189163      3.838298
  N      -2.499886     -5.682255      4.618570
  C      -1.840541     -6.521550      3.616360
  C      -2.921821     -7.100612      2.724158
  H      -1.257724     -7.332435      4.074954
  H      -1.122520     -5.933229      3.016891
  H      -3.557763     -7.768679      3.319884
  H      -2.521937     -7.673897      1.869670
  H      -6.872195     -6.273421      3.460483
  H      -5.399422     -6.874568      4.235275
  H      -5.659436     -5.611135      1.458206
  H      -5.317232     -7.331842      1.785954
  H      -3.129461     -3.559732     -0.018200
  H      -4.723807     -3.915021      0.641275
  H      -2.112968     -5.460633      1.042022
  H      -3.537176     -6.023497      0.120511
  C      -3.709684     -1.158915      0.748803
  C      -2.769497     -1.868329      1.748584
  C      -2.672583     -0.937842      2.957643
  C      -1.354107     -2.018424      1.126089
  C      -0.322732     -2.683235      2.036430
  C       0.933338     -3.199000      1.324624
  C       0.667210     -4.391616      0.399790
  C       1.915063     -4.743470     -0.435576
  C       3.226203     -4.451687      0.324114
  C       3.023110     -4.623147      1.830063
  C       2.005989     -3.595900      2.363726
  C      -6.239781     -2.753915      5.268663
  C      -6.662455     -4.055512      4.591763
  C      -7.353100     -4.922049      5.662891
  C      -7.675109     -3.729855      3.460764
  C      -7.166805     -2.741582      2.410103
  C      -8.008158     -2.660116      1.126527
  C      -9.491559     -2.366317      1.377486
  C     -10.214839     -2.006984      0.062525
  C      -9.611744     -2.741857     -1.153653
  C      -9.041095     -4.098561     -0.737293
  C      -7.862637     -3.918188      0.240233
  C      -3.143356     -5.268258      6.989025
  C      -2.303204     -6.117816      6.029647
  C      -2.780872     -7.576420      6.194925
  C      -0.806854     -6.023959      6.420839
  C      -0.212309     -4.615295      6.356559
  C       1.315242     -4.577499      6.258571
  C       2.015408     -5.263407      7.439235
  C       3.541002     -5.203564      7.313109
  C       4.039334     -3.765256      7.149253
  C       3.343922     -3.069682      5.975875
  C       1.821408     -3.136026      6.115858
  H      -4.725461     -1.090602      1.164910
  H      -3.768359     -1.665810     -0.221812
  H      -3.343817     -0.139635      0.562787
  H      -2.307594      0.040623      2.616232
  H      -1.972744     -1.325222      3.707587
  H      -3.666861     -0.790888      3.406394
  H      -1.437415     -2.586158      0.186799
  H      -1.004330     -1.014601      0.833381
  H      -0.794905     -3.534798      2.559352
  H      -0.008657     -1.978776      2.825161
  H       1.334324     -2.377265      0.702199
  H      -0.184324     -4.195937     -0.269658
  H       0.373104     -5.252383      1.028416
  H       1.874949     -5.807691     -0.716294
  H       1.901839     -4.174163     -1.378123
  H       3.555909     -3.418434      0.124844
  H       4.030603     -5.106489     -0.042041
  H       2.661015     -5.646744      2.025855
  H       3.976689     -4.528018      2.370803
  H       1.499584     -4.009467      3.251938
  H       2.527379     -2.687098      2.705099
  H      -5.665675     -2.992303      6.178162
  H      -5.645374     -2.132405      4.583733
  H      -7.130133     -2.185848      5.570448
  H      -8.150723     -4.344022      6.150823
  H      -6.630035     -5.229417      6.432588
  H      -7.814597     -5.824945      5.242770
  H      -8.587562     -3.337598      3.938281
  H      -7.978864     -4.672348      2.979192
  H      -7.119058     -1.733366      2.854599
  H      -6.130955     -3.008197      2.140242
  H      -7.607762     -1.805598      0.551389
  H      -9.603452     -1.548404      2.107527
  H      -9.962406     -3.252327      1.835346
  H     -10.164099     -0.919755     -0.104917
  H     -11.283310     -2.255876      0.156091
  H     -10.371751     -2.861330     -1.939695
  H      -8.803138     -2.136911     -1.597001
  H      -9.839506     -4.688517     -0.256715
  H      -8.719275     -4.677053     -1.616170
  H      -6.916265     -3.844115     -0.321454
  H      -7.776769     -4.817251      0.872577
  H      -3.079457     -5.693985      8.000130
  H      -2.782811     -4.235719      7.028797
  H      -4.198737     -5.259010      6.680754
  H      -2.217191     -8.280447      5.567933
  H      -2.649090     -7.893550      7.239380
  H      -3.847565     -7.661375      5.941343
  H      -0.696601     -6.447420      7.431830
  H      -0.228501     -6.687702      5.756275
  H      -0.520151     -4.034064      7.244581
  H      -0.636331     -4.094348      5.482245
  H       1.599914     -5.125614      5.337565
  H       1.703624     -4.758924      8.373225
  H       1.687502     -6.311312      7.523787
  H       4.012440     -5.675405      8.189282
  H       3.851580     -5.795151      6.433365
  H       5.131486     -3.752439      7.009816
  H       3.833822     -3.201922      8.077180
  H       3.675550     -2.022216      5.898140
  H       3.638323     -3.564649      5.033468
  H       1.334680     -2.654264      5.251551
  H       1.513167     -2.564843      7.011938
  N      -3.060034     -2.886047      5.001068
  N      -3.325986     -1.828250      5.912669
  H      -4.340083     -1.699213      6.112140
  H      -2.841018     -1.993653      6.811188
  H      -2.963431     -0.939987      5.521054
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834603624386
  N      -3.312018     -3.233979      2.074274
  C      -3.641684     -3.985299      0.852411
  C      -3.210873     -5.425182      0.981581
  N      -3.742960     -5.969010      2.241761
  C      -5.178052     -6.305598      2.161691
  C      -5.786156     -6.111674      3.536709
  N      -5.470012     -4.762317      4.032510
  Mo     -3.576678     -4.192243      3.832917
  N      -2.499080     -5.688289      4.614116
  C      -1.839764     -6.527465      3.611836
  C      -2.922066     -7.105971      2.720118
  H      -1.256520     -7.338432      4.069824
  H      -1.122305     -5.939259      3.011704
  H      -3.557708     -7.773987      3.316194
  H      -2.523243     -7.679046      1.865025
  H      -6.870703     -6.271855      3.462854
  H      -5.397866     -6.875190      4.235829
  H      -5.660070     -5.614048      1.457986
  H      -5.319519     -7.334597      1.787619
  H      -3.128927     -3.567923     -0.024841
  H      -4.723970     -3.921156      0.634334
  H      -2.114157     -5.468206      1.036735
  H      -3.539812     -6.030527      0.117325
  C      -3.712630     -1.166079      0.738013
  C      -2.772416     -1.872559      1.739763
  C      -2.678491     -0.939701      2.947505
  C      -1.355749     -2.020659      1.119259
  C      -0.324682     -2.682006      2.032327
  C       0.933399     -3.197477      1.323862
  C       0.670308     -4.391785      0.400471
  C       1.920163     -4.743324     -0.431979
  C       3.229415     -4.450319      0.330528
  C       3.022588     -4.619724      1.836179
  C       2.004416     -3.591503      2.365770
  C      -6.228359     -2.753814      5.271813
  C      -6.655163     -4.053840      4.594065
  C      -7.346213     -4.919729      5.665556
  C      -7.669352     -3.725085      3.465498
  C      -7.161385     -2.737399      2.414293
  C      -8.004374     -2.655084      1.131796
  C      -9.487277     -2.360369      1.384824
  C     -10.212469     -2.001149      0.070922
  C      -9.611740     -2.736701     -1.145941
  C      -9.041301     -4.093569     -0.729901
  C      -7.860934     -3.913270      0.245196
  C      -3.151833     -5.278675      6.982336
  C      -2.305676     -6.124721      6.025161
  C      -2.779375     -7.584921      6.188064
  C      -0.810718     -6.027166      6.420382
  C      -0.219362     -4.617062      6.359010
  C       1.307987     -4.575282      6.261844
  C       2.009359     -5.258382      7.443464
  C       3.534806     -5.195691      7.317285
  C       4.030204     -3.756536      7.152001
  C       3.333156     -3.063355      5.978175
  C       1.810825     -3.132725      6.118429
  H      -4.728833     -1.098315      1.153040
  H      -3.770060     -1.674459     -0.231864
  H      -3.347889     -0.146646      0.550680
  H      -2.318181      0.039729      2.603954
  H      -1.975810     -1.322846      3.696847
  H      -3.672879     -0.796447      3.397372
  H      -1.437034     -2.590124      0.180863
  H      -1.007706     -1.016606      0.825402
  H      -0.796405     -3.533132      2.556367
  H      -0.012950     -1.975590      2.820247
  H       1.334638     -2.376321      0.700888
  H      -0.180202     -4.198186     -0.270909
  H       0.375892     -5.252003      1.029637
  H       1.881247     -5.807662     -0.712388
  H       1.908584     -4.174460     -1.374802
  H       3.559535     -3.417328      0.130698
  H       4.034811     -5.105421     -0.032876
  H       2.659719     -5.642931      2.032506
  H       3.974725     -4.524171      2.379384
  H       1.497005     -4.002874      3.254398
  H       2.524963     -2.681658      2.705630
  H      -5.653499     -2.994335      6.180455
  H      -5.633549     -2.132042      4.587822
  H      -7.117389     -2.184718      5.575599
  H      -8.140427     -4.339610      6.156533
  H      -6.622301     -5.230871      6.432902
  H      -7.812197     -5.820271      5.245449
  H      -8.580228     -3.331541      3.944946
  H      -7.975600     -4.666884      2.984097
  H      -7.112078     -1.729238      2.858777
  H      -6.126162     -3.004990      2.143133
  H      -7.604334     -1.800734      0.556202
  H      -9.597735     -1.542199      2.114775
  H      -9.957899     -3.245926      1.843754
  H     -10.161700     -0.914001     -0.097001
  H     -11.280885     -2.249561      0.166320
  H     -10.373015     -2.855821     -1.930806
  H      -8.803416     -2.132489     -1.590779
  H      -9.839119     -4.682732     -0.247397
  H      -8.721549     -4.672871     -1.608991
  H      -6.915701     -3.839344     -0.318386
  H      -7.773833     -4.812180      0.877558
  H      -3.092143     -5.706405      7.992841
  H      -2.793809     -4.245495      7.026395
  H      -4.205682     -5.270483      6.668975
  H      -2.211312     -8.287211      5.563117
  H      -2.650605     -7.901954      7.232901
  H      -3.844834     -7.673189      5.930522
  H      -0.701209     -6.451904      7.430949
  H      -0.229841     -6.688604      5.755681
  H      -0.529121     -4.038328      7.248083
  H      -0.644231     -4.095494      5.485456
  H       1.594539     -5.123451      5.341493
  H       1.696476     -4.753263      8.376701
  H       1.683430     -6.306786      7.529508
  H       4.007192     -5.665739      8.193901
  H       3.846619     -5.787625      6.438245
  H       5.122292     -3.741669      7.012281
  H       3.823995     -3.192717      8.079444
  H       3.662730     -2.015326      5.899370
  H       3.628140     -3.558489      5.036084
  H       1.323035     -2.652309      5.253959
  H       1.501190     -2.561732      7.014149
  N      -3.051007     -2.888347      4.992146
  N      -3.309386     -1.831922      5.907358
  H      -4.320104     -1.717917      6.131259
  H      -2.799284     -1.986295      6.793655
  H      -2.971484     -0.939446      5.503111
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834607018237
  N      -3.313364     -3.234167      2.070733
  C      -3.642477     -3.986262      0.849249
  C      -3.210656     -5.425849      0.978704
  N      -3.741870     -5.969595      2.239250
  C      -5.176930     -6.306067      2.159727
  C      -5.784795     -6.112502      3.534840
  N      -5.468252     -4.763798      4.031783
  Mo     -3.575541     -4.192362      3.829954
  N      -2.498059     -5.688385      4.610768
  C      -1.838425     -6.527537      3.608769
  C      -2.920718     -7.106607      2.717148
  H      -1.254093     -7.337686      4.066754
  H      -1.121921     -5.938865      3.007948
  H      -3.556103     -7.774893      3.313174
  H      -2.521911     -7.679408      1.861881
  H      -6.869397     -6.272404      3.460594
  H      -5.396776     -6.876764      4.233349
  H      -5.658928     -5.614524      1.455998
  H      -5.318780     -7.335026      1.785632
  H      -3.129892     -3.569133     -0.028215
  H      -4.724842     -3.922692      0.631325
  H      -2.113872     -5.468155      1.033460
  H      -3.539316     -6.031595      0.114617
  C      -3.712994     -1.167931      0.732230
  C      -2.773387     -1.873384      1.735210
  C      -2.680259     -0.939458      2.942391
  C      -1.356284     -2.021899      1.115802
  C      -0.325993     -2.682496      2.030130
  C       0.932551     -3.199266      1.323438
  C       0.669610     -4.394343      0.401007
  C       1.919984     -4.747201     -0.430044
  C       3.228636     -4.454413      0.333554
  C       3.020315     -4.622170      1.839135
  C       2.002072     -3.593059      2.366897
  C      -6.224713     -2.758463      5.277063
  C      -6.652700     -4.056536      4.596180
  C      -7.342841     -4.924958      5.666161
  C      -7.667877     -3.724405      3.469651
  C      -7.160067     -2.735693      2.419416
  C      -8.002489     -2.652679      1.136660
  C      -9.485586     -2.358636      1.389158
  C     -10.210093     -1.998300      0.075257
  C      -9.608923     -2.733015     -1.141881
  C      -9.038280     -4.089970     -0.726546
  C      -7.858295     -3.910074      0.249035
  C      -3.155304     -5.280564      6.977908
  C      -2.306747     -6.125586      6.021918
  C      -2.778779     -7.586214      6.183894
  C      -0.812398     -6.026337      6.419587
  C      -0.222187     -4.615754      6.359904
  C       1.305092     -4.572617      6.263281
  C       2.006547     -5.254818      7.445385
  C       3.531944     -5.191329      7.319496
  C       4.026436     -3.751894      7.154147
  C       3.329276     -3.059459      5.979963
  C       1.806950     -3.129711      6.119823
  H      -4.729917     -1.102365      1.145831
  H      -3.768067     -1.675919     -0.238006
  H      -3.349943     -0.147735      0.545916
  H      -2.320319      0.039770      2.597867
  H      -1.977534     -1.321544      3.692124
  H      -3.674835     -0.796372      3.391936
  H      -1.437202     -2.592233      0.177912
  H      -1.008045     -1.018136      0.821258
  H      -0.798246     -3.533038      2.554736
  H      -0.014816     -1.975485      2.817723
  H       1.335082     -2.379030      0.700118
  H      -0.180381     -4.201163     -0.271132
  H       0.374407     -5.253862      1.030759
  H       1.880723     -5.811640     -0.709985
  H       1.909552     -4.178829     -1.373176
  H       3.559715     -3.421889      0.132943
  H       4.033969     -5.110395     -0.028389
  H       2.656895     -5.645017      2.036268
  H       3.972018     -4.526487      2.383079
  H       1.493384     -4.003537      3.255199
  H       2.522640     -2.683239      2.706751
  H      -5.647516     -3.001218      6.183607
  H      -5.632028     -2.133713      4.594020
  H      -7.113602     -2.191109      5.584632
  H      -8.137140     -4.346204      6.158601
  H      -6.618520     -5.237165      6.432650
  H      -7.808403     -5.825018      5.244604
  H      -8.577754     -3.330620      3.950729
  H      -7.975698     -4.665199      2.987229
  H      -7.111579     -1.727776      2.864575
  H      -6.124547     -3.002365      2.148436
  H      -7.602377     -1.797766      0.561938
  H      -9.596795     -1.541296      2.119908
  H      -9.956166     -3.244838      1.846896
  H     -10.159073     -0.911033     -0.091791
  H     -11.278609     -2.246539      0.169973
  H     -10.369908     -2.851789     -1.927069
  H      -8.800626     -2.128354     -1.586151
  H      -9.836024     -4.679778     -0.244726
  H      -8.718095     -4.668568     -1.605943
  H      -6.912930     -3.835343     -0.314213
  H      -7.771060     -4.809426      0.880727
  H      -3.097466     -5.709383      7.988069
  H      -2.798171     -4.247180      7.024239
  H      -4.208410     -5.272512      6.662105
  H      -2.209255     -8.287922      5.559679
  H      -2.650723     -7.902902      7.228909
  H      -3.843887     -7.675817      5.925381
  H      -0.703580     -6.451664      7.429988
  H      -0.230057     -6.686808      5.755150
  H      -0.532694     -4.038201      7.249505
  H      -0.647253     -4.093667      5.486731
  H       1.592502     -5.120739      5.343174
  H       1.693093     -4.749353      8.378230
  H       1.681083     -6.303317      7.532012
  H       4.004530     -5.661074      8.196161
  H       3.844239     -5.783176      6.440579
  H       5.118559     -3.736295      7.014806
  H       3.819619     -3.188022      8.081408
  H       3.658341     -2.011301      5.900797
  H       3.624834     -3.554725      5.038145
  H       1.319104     -2.649646      5.255189
  H       1.496702     -2.558824      7.015389
  N      -3.049089     -2.888155      4.988337
  N      -3.304686     -1.831330      5.903542
  H      -4.314282     -1.720661      6.133769
  H      -2.787771     -1.981732      6.786534
  H      -2.973089     -0.938250      5.495260
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834608851528
  N      -3.313280     -3.235225      2.068441
  C      -3.640376     -3.988168      0.847103
  C      -3.209201     -5.427886      0.977927
  N      -3.741070     -5.970554      2.238582
  C      -5.176403     -6.305586      2.158738
  C      -5.784649     -6.112258      3.533641
  N      -5.467157     -4.764547      4.031884
  Mo     -3.574743     -4.192422      3.828320
  N      -2.497809     -5.688147      4.609544
  C      -1.838693     -6.528849      3.608795
  C      -2.921158     -7.108092      2.717357
  H      -1.254103     -7.338265      4.067661
  H      -1.122519     -5.940716      3.006962
  H      -3.557426     -7.775490      3.313419
  H      -2.522536     -7.681692      1.862547
  H      -6.869341     -6.271237      3.458305
  H      -5.397720     -6.877360      4.231923
  H      -5.657248     -5.613182      1.455073
  H      -5.319724     -7.334236      1.784238
  H      -3.125617     -3.572139     -0.029625
  H      -4.722317     -3.923709      0.627243
  H      -2.112428     -5.470109      1.033278
  H      -3.537149     -6.034221      0.113996
  C      -3.714158     -1.170261      0.728544
  C      -2.774476     -1.874084      1.732626
  C      -2.683430     -0.939636      2.939732
  C      -1.356701     -2.020852      1.114607
  C      -0.326478     -2.681114      2.029243
  C       0.932532     -3.197710      1.323206
  C       0.670002     -4.392623      0.400389
  C       1.920709     -4.745273     -0.430164
  C       3.228970     -4.452614      0.334140
  C       3.020203     -4.620432      1.839604
  C       2.001128     -3.592038      2.367317
  C      -6.221537     -2.760052      5.279446
  C      -6.650997     -4.057199      4.597698
  C      -7.340500     -4.926102      5.667639
  C      -7.666887     -3.723210      3.472465
  C      -7.158269     -2.736016      2.421215
  C      -8.000542     -2.653268      1.138444
  C      -9.483237     -2.357132      1.390461
  C     -10.206810     -1.996374      0.076231
  C      -9.606846     -2.733211     -1.140246
  C      -9.037988     -4.090522     -0.723769
  C      -7.857903     -3.911531      0.251876
  C      -3.157830     -5.279344      6.975962
  C      -2.308864     -6.125362      6.021128
  C      -2.781141     -7.585532      6.183380
  C      -0.814769     -6.025937      6.420632
  C      -0.224415     -4.615442      6.361189
  C       1.302802     -4.572545      6.263746
  C       2.004716     -5.255072      7.445365
  C       3.530023     -5.191926      7.318620
  C       4.024650     -3.752517      7.153592
  C       3.327166     -3.059772      5.979808
  C       1.804873     -3.129704      6.120276
  H      -4.731988     -1.108631      1.140521
  H      -3.765738     -1.677312     -0.242384
  H      -3.354210     -0.148655      0.544120
  H      -2.326790      0.040571      2.594505
  H      -1.978776     -1.319108      3.688920
  H      -3.677970     -0.799638      3.390297
  H      -1.436224     -2.590529      0.176197
  H      -1.009141     -1.016545      0.821136
  H      -0.798543     -3.532057      2.553484
  H      -0.016018     -1.974219      2.817202
  H       1.335816     -2.377508      0.700331
  H      -0.179872     -4.199515     -0.271861
  H       0.374824     -5.252272      1.030018
  H       1.881668     -5.809588     -0.710579
  H       1.910644     -4.176490     -1.373059
  H       3.560158     -3.420109      0.133592
  H       4.034497     -5.108588     -0.027378
  H       2.657410     -5.643504      2.036718
  H       3.971786     -4.524155      2.383656
  H       1.491505     -4.003554      3.254603
  H       2.521119     -2.682424      2.708575
  H      -5.640914     -3.003560      6.183549
  H      -5.631937     -2.133366      4.595466
  H      -7.109919     -2.193980      5.590978
  H      -8.135441     -4.347873      6.159663
  H      -6.616258     -5.237485      6.434509
  H      -7.804955     -5.826788      5.246211
  H      -8.575378     -3.327326      3.954375
  H      -7.977163     -4.663697      2.990932
  H      -7.108978     -1.727603      2.865204
  H      -6.122941     -3.003813      2.150441
  H      -7.599139     -1.799431      0.562960
  H      -9.593614     -1.539386      2.120872
  H      -9.955063     -3.242607      1.848367
  H     -10.153499     -0.909337     -0.091599
  H     -11.275856     -2.242330      0.170939
  H     -10.368011     -2.851725     -1.925289
  H      -8.797771     -2.130048     -1.585151
  H      -9.836498     -4.679096     -0.241714
  H      -8.718392     -4.670074     -1.602761
  H      -6.912379     -3.838550     -0.311341
  H      -7.772066     -4.810501      0.884291
  H      -3.102034     -5.708927      7.985941
  H      -2.799610     -4.246429      7.024109
  H      -4.210329     -5.269707      6.658157
  H      -2.211785     -8.287693      5.559570
  H      -2.652995     -7.901426      7.228623
  H      -3.846340     -7.675116      5.925196
  H      -0.706863     -6.450986      7.431246
  H      -0.231629     -6.686593      5.757031
  H      -0.534250     -4.038114      7.251172
  H      -0.649905     -4.093102      5.488328
  H       1.589648     -5.120471      5.343335
  H       1.691856     -4.749493      8.378361
  H       1.678929     -6.303447      7.532178
  H       4.003150     -5.662239      8.194682
  H       3.841581     -5.783370      6.439162
  H       5.116732     -3.736948      7.013965
  H       3.818121     -3.188893      8.081077
  H       3.656513     -2.011715      5.900509
  H       3.622353     -3.555089      5.037899
  H       1.316757     -2.649349      5.255940
  H       1.495280     -2.558983      7.016173
  N      -3.047748     -2.887972      4.986158
  N      -3.301962     -1.832282      5.902479
  H      -4.311254     -1.722018      6.134139
  H      -2.783440     -1.982939      6.784563
  H      -2.970967     -0.938627      5.494844
124
Coordinates from ORCA-job /scratch/magstr/orcajob__5655506-D132/orca E -5948.834610239010
  N      -3.313622     -3.235609      2.066662
  C      -3.640913     -3.988860      0.845642
  C      -3.209120     -5.428390      0.976527
  N      -3.740586     -5.970971      2.237359
  C      -5.175987     -6.306040      2.157812
  C      -5.784033     -6.112863      3.532797
  N      -5.466496     -4.765281      4.031091
  Mo     -3.574337     -4.192528      3.826820
  N      -2.497386     -5.687956      4.608243
  C      -1.838248     -6.528818      3.607798
  C      -2.920577     -7.108328      2.716402
  H      -1.253515     -7.337939      4.066976
  H      -1.122170     -5.940620      3.005868
  H      -3.556912     -7.775684      3.312428
  H      -2.521824     -7.681987      1.861690
  H      -6.868741     -6.271793      3.457523
  H      -5.397033     -6.877940      4.231092
  H      -5.657004     -5.613531      1.454388
  H      -5.319529     -7.334655      1.783297
  H      -3.126755     -3.572656     -0.031369
  H      -4.722980     -3.924753      0.626323
  H      -2.112308     -5.470019      1.031614
  H      -3.537003     -6.035057      0.112813
  C      -3.714290     -1.171513      0.725230
  C      -2.774938     -1.874444      1.730331
  C      -2.684837     -0.939140      2.936814
  C      -1.356988     -2.021564      1.113049
  C      -0.326944     -2.680904      2.028612
  C       0.932193     -3.198141      1.323335
  C       0.669907     -4.393682      0.401247
  C       1.920892     -4.746998     -0.428608
  C       3.228949     -4.453981      0.335958
  C       3.019703     -4.620591      1.841499
  C       2.000402     -3.591823      2.368097
  C      -6.220349     -2.762203      5.281465
  C      -6.650086     -4.058472      4.598365
  C      -7.339124     -4.928609      5.667594
  C      -7.666466     -3.723386      3.473808
  C      -7.158198     -2.735153      2.423273
  C      -8.000432     -2.651948      1.140496
  C      -9.483289     -2.356731      1.392580
  C     -10.206877     -1.995368      0.078514
  C      -9.606557     -2.731234     -1.138416
  C      -9.036954     -4.088498     -0.722785
  C      -7.857048     -3.909524      0.253118
  C      -3.158325     -5.279143      6.974574
  C      -2.309008     -6.125143      6.019985
  C      -2.781439     -7.585286      6.182153
  C      -0.815080     -6.025708      6.420190
  C      -0.225038     -4.614982      6.361460
  C       1.302220     -4.571854      6.264221
  C       2.003983     -5.254714      7.445728
  C       3.529316     -5.191282      7.319394
  C       4.023756     -3.751732      7.154980
  C       3.326500     -3.058726      5.981210
  C       1.804164     -3.128904      6.121189
  H      -4.732458     -1.110205      1.136453
  H      -3.764790     -1.678979     -0.245554
  H      -3.354723     -0.149802      0.540671
  H      -2.328962      0.041197      2.591173
  H      -1.979982     -1.317574      3.686388
  H      -3.679653     -0.799743      3.386956
  H      -1.436093     -2.592146      0.175136
  H      -1.009372     -1.017501      0.818737
  H      -0.799121     -3.531393      2.553506
  H      -0.016716     -1.973250      2.815977
  H       1.335816     -2.378435      0.699999
  H      -0.179732     -4.200977     -0.271420
  H       0.374545     -5.252869      1.031441
  H       1.881845     -5.811494     -0.708343
  H       1.911243     -4.178787     -1.371859
  H       3.560363     -3.421676      0.134709
  H       4.034493     -5.110401     -0.024717
  H       2.656905     -5.643527      2.039334
  H       3.971158     -4.523796      2.385688
  H       1.490329     -4.002804      3.255385
  H       2.520314     -2.682024      2.708995
  H      -5.638525     -3.007159      6.184432
  H      -5.631713     -2.134352      4.597694
  H      -7.108399     -2.196789      5.595120
  H      -8.134461     -4.351189      6.159928
  H      -6.614917     -5.240229      6.434406
  H      -7.802984     -5.829227      5.245322
  H      -8.574776     -3.327923      3.956415
  H      -7.977009     -4.663380      2.991478
  H      -7.109383     -1.727028      2.867955
  H      -6.122746     -3.002385      2.152389
  H      -7.599355     -1.797540      0.565613
  H      -9.594112     -1.539550      2.123564
  H      -9.954715     -3.242790      1.849782
  H     -10.153824     -0.908205     -0.088598
  H     -11.275860     -2.241706      0.172972
  H     -10.367688     -2.849739     -1.923496
  H      -8.797816     -2.127363     -1.582984
  H      -9.835200     -4.677854     -0.241232
  H      -8.716931     -4.667254     -1.602153
  H      -6.911515     -3.835636     -0.309977
  H      -7.770816     -4.808929      0.884875
  H      -3.102823     -5.708744      7.984574
  H      -2.800422     -4.246164      7.023004
  H      -4.210715     -5.269709      6.656373
  H      -2.212124     -8.287491      5.558352
  H      -2.653296     -7.901135      7.227414
  H      -3.846667     -7.674827      5.924025
  H      -0.707673     -6.451040      7.430729
  H      -0.231330     -6.686017      5.756767
  H      -0.535000     -4.038175      7.251733
  H      -0.650574     -4.092376      5.488797
  H       1.589256     -5.119434      5.343653
  H       1.690870     -4.749485      8.378848
  H       1.678305     -6.303164      7.532057
  H       4.002320     -5.661809      8.195412
  H       3.841164     -5.782329      6.439757
  H       5.115876     -3.735919      7.015665
  H       3.816815     -3.188466      8.082607
  H       3.655736     -2.010599      5.902331
  H       3.622057     -3.553780      5.039263
  H       1.316258     -2.648513      5.256762
  H       1.494315     -2.558396      7.017145
  N      -3.046683     -2.887624      4.984049
  N      -3.300586     -1.831416      5.899761
  H      -4.309313     -1.723931      6.135256
  H      -2.777810     -1.978897      6.779866
  H      -2.974140     -0.937323      5.489292
