103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.522046748406
  N      -2.970161     -3.716901      2.299306
  C      -2.543984     -4.803687      1.425481
  C      -2.254791     -6.071003      2.227087
  N      -3.382312     -6.402248      3.100003
  C      -4.510762     -7.009947      2.396755
  C      -5.848975     -6.772472      3.148599
  N      -5.913406     -5.491839      3.845796
  Mo     -4.130175     -4.545763      3.866857
  N      -2.949069     -5.014569      5.375636
  C      -2.277310     -6.309173      5.318872
  C      -2.932791     -7.205197      4.245426
  H      -2.345075     -6.833442      6.281672
  H      -1.208729     -6.179941      5.095045
  H      -3.825979     -7.674078      4.671048
  H      -2.239545     -7.997811      3.940173
  H      -6.665596     -6.852304      2.402541
  H      -6.009892     -7.604548      3.858351
  H      -4.588037     -6.533917      1.413868
  H      -4.372569     -8.086777      2.238955
  H      -1.636353     -4.534427      0.869939
  H      -3.329656     -5.015910      0.673908
  H      -1.405542     -5.851163      2.876266
  H      -1.999153     -6.896496      1.553179
  C      -3.866879     -1.014554     -0.275229
  C      -3.369251     -2.377627      0.191548
  C      -3.832788     -2.759215      1.621179
  C      -5.237750     -3.384932      1.754078
  N      -6.281372     -2.562450      2.307301
  C      -6.627337     -1.304808      1.709714
  C      -7.351806     -1.217432      0.515956
  C      -7.732122      0.011172     -0.001316
  C      -7.410159      1.181342      0.657644
  C      -6.696629      1.116540      1.853065
  S      -6.252993      2.550830      2.756138
  C      -6.301359     -0.118150      2.372482
  C      -9.303732     -5.838955      5.756322
  C      -8.103939     -6.303040      4.930284
  C      -7.103321     -5.183816      4.663559
  C      -7.629610     -3.870779      4.172709
  N      -7.415803     -2.939748      5.285525
  C      -7.602941     -1.564275      5.241982
  C      -8.536277     -0.925080      4.410649
  C      -8.811769      0.425232      4.546236
  C      -8.157344      1.195056      5.486243
  C      -7.192245      0.596773      6.297164
  S      -6.284893      1.506757      7.489745
  C      -6.915602     -0.760852      6.169186
  C      -1.269135     -5.354239      8.442045
  C      -1.408985     -4.308800      7.335835
  C      -2.756717     -4.194896      6.560923
  C      -3.984552     -4.345333      7.516721
  N      -5.233030     -4.499513      6.754143
  C      -6.028304     -5.573254      7.308624
  C      -5.692831     -6.914187      7.111127
  C      -6.359918     -7.914488      7.809032
  C      -7.362058     -7.605565      8.705828
  C      -7.731378     -6.271448      8.900080
  S      -8.988290     -5.784155      9.998837
  C      -7.059694     -5.270049      8.192114
  H      -3.470850     -0.798756     -1.262073
  H      -3.542889     -0.235077      0.413061
  H      -4.954903     -0.996556     -0.320630
  H      -2.277566     -2.367168      0.195361
  H      -3.698291     -3.141185     -0.517823
  H      -3.778153     -1.812525      2.197737
  H      -5.577851     -3.855555      0.791437
  H      -5.003819     -4.193489      2.489458
  H      -5.862654     -2.305945      3.193095
  H      -7.603199     -2.144379      0.014680
  H      -8.283219      0.048482     -0.927581
  H      -7.708398      2.134098      0.248604
  H      -6.763102      3.454718      1.912821
  H      -5.726852     -0.136365      3.307347
  H      -9.923133     -6.684916      6.031900
  H      -9.911658     -5.137757      5.188433
  H      -8.966682     -5.328647      6.657265
  H      -8.486590     -6.721469      3.989331
  H      -7.607798     -7.121187      5.464031
  H      -6.624238     -4.856555      5.570694
  H      -8.642179     -3.822994      3.716604
  H      -6.802775     -3.644815      3.505013
  H      -6.491596     -3.290242      5.442333
  H      -9.055867     -1.526490      3.668765
  H      -9.556685      0.873943      3.909150
  H      -8.392701      2.241241      5.593585
  H      -6.950321      2.660776      7.388358
  H      -6.179682     -1.232966      6.831533
  H      -1.476652     -6.361363      8.094545
  H      -1.924162     -5.125237      9.277529
  H      -0.244331     -5.323743      8.800702
  H      -1.238623     -3.327138      7.782129
  H      -0.630413     -4.454021      6.583833
  H      -2.782251     -3.140908      6.192758
  H      -3.830768     -5.216818      8.161277
  H      -4.047416     -3.458970      8.169253
  H      -4.756372     -4.823654      5.876729
  H      -4.881639     -7.151654      6.428195
  H      -6.073534     -8.944148      7.663437
  H      -7.847192     -8.391766      9.263341
  H      -9.244604     -6.988894     10.522958
  H      -7.305478     -4.220544      8.343146
  N      -5.022436     -3.071565      5.118860
  N      -5.617276     -2.088767      5.953529
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.613335234894
  N      -2.995304     -3.687484      2.323077
  C      -2.576485     -4.773726      1.437591
  C      -2.281825     -6.043324      2.232762
  N      -3.405151     -6.380843      3.117842
  C      -4.542303     -6.991510      2.422153
  C      -5.876056     -6.766821      3.181570
  N      -5.948582     -5.487640      3.883829
  Mo     -4.145040     -4.522151      3.896207
  N      -2.950290     -5.003792      5.398333
  C      -2.279305     -6.300322      5.327584
  C      -2.944483     -7.189611      4.258731
  H      -2.339545     -6.831986      6.288166
  H      -1.210667     -6.170099      5.095991
  H      -3.834656     -7.660733      4.690976
  H      -2.253706     -7.982410      3.942071
  H      -6.692968     -6.851045      2.436620
  H      -6.029597     -7.602726      3.889641
  H      -4.627321     -6.512839      1.440309
  H      -4.398974     -8.069138      2.261045
  H      -1.669623     -4.505351      0.876122
  H      -3.366406     -4.982001      0.689011
  H      -1.425775     -5.825685      2.877331
  H      -2.030943     -6.868991      1.553961
  C      -3.870936     -0.969735     -0.242771
  C      -3.385166     -2.339449      0.222534
  C      -3.853490     -2.720403      1.649798
  C      -5.264988     -3.332555      1.778100
  N      -6.300164     -2.487817      2.320499
  C      -6.607807     -1.238798      1.692752
  C      -7.311381     -1.174161      0.483397
  C      -7.659204      0.048613     -0.074114
  C      -7.324346      1.234245      0.559778
  C      -6.631198      1.188961      1.771461
  S      -6.173280      2.640900      2.644767
  C      -6.269464     -0.040314      2.331110
  C      -9.368722     -5.908029      5.800262
  C      -8.154981     -6.345121      4.972450
  C      -7.172035     -5.208902      4.706088
  C      -7.732013     -3.895842      4.199136
  N      -7.519416     -2.937099      5.290094
  C      -7.668209     -1.557789      5.208985
  C      -8.595268     -0.928725      4.361773
  C      -8.839104      0.433633      4.451820
  C      -8.160675      1.228055      5.361740
  C      -7.196966      0.643954      6.190153
  S      -6.265949      1.585327      7.343875
  C      -6.931790     -0.725386      6.115092
  C      -1.213946     -5.404234      8.424364
  C      -1.375339     -4.332065      7.345056
  C      -2.736259     -4.203696      6.600229
  C      -3.941293     -4.387399      7.582409
  N      -5.206227     -4.538698      6.842458
  C      -5.979861     -5.634808      7.372112
  C      -5.639676     -6.969837      7.127827
  C      -6.300991     -7.994777      7.798455
  C      -7.304417     -7.714087      8.710016
  C      -7.673863     -6.384026      8.944424
  S      -8.936212     -5.920808     10.049872
  C      -7.005452     -5.360115      8.269768
  H      -3.470368     -0.753258     -1.231680
  H      -3.541194     -0.191869      0.448876
  H      -4.960680     -0.939790     -0.291185
  H      -2.291053     -2.338745      0.228260
  H      -3.719519     -3.100561     -0.490649
  H      -3.793978     -1.778014      2.230570
  H      -5.610382     -3.796778      0.820320
  H      -5.037467     -4.155717      2.506985
  H      -5.889233     -2.223912      3.214839
  H      -7.573288     -2.111097      0.001155
  H      -8.195648      0.071230     -1.013489
  H      -7.597659      2.183823      0.118513
  H      -6.652080      3.530404      1.763741
  H      -5.713618     -0.046199      3.275681
  H      -9.971978     -6.771758      6.070918
  H      -9.993015     -5.215869      5.233254
  H      -9.048993     -5.394299      6.712620
  H      -8.524280     -6.769249      4.027182
  H      -7.645701     -7.155098      5.508211
  H      -6.704029     -4.878977      5.618659
  H      -8.736467     -3.858792      3.731797
  H      -6.908906     -3.677096      3.535675
  H      -6.601833     -3.286448      5.460666
  H      -9.136621     -1.543807      3.645599
  H      -9.582507      0.876421      3.802679
  H      -8.378148      2.285127      5.431339
  H      -6.919955      2.745336      7.201095
  H      -6.188599     -1.177636      6.798654
  H      -1.427265     -6.406524      8.056570
  H      -1.855626     -5.197166      9.279703
  H      -0.180058     -5.382797      8.768049
  H      -1.197729     -3.358459      7.811023
  H      -0.608306     -4.458275      6.574493
  H      -2.769122     -3.146174      6.256256
  H      -3.760424     -5.276617      8.198157
  H      -3.998876     -3.520890      8.262121
  H      -4.750240     -4.823994      5.937288
  H      -4.832383     -7.183729      6.430961
  H      -6.013403     -9.022516      7.618322
  H      -7.791204     -8.519393      9.244861
  H      -9.197735     -7.141761     10.540005
  H      -7.255966     -4.315456      8.451968
  N      -5.005152     -3.041464      5.132762
  N      -5.573696     -2.083465      5.947436
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.690416104021
  N      -3.019669     -3.661322      2.345199
  C      -2.602854     -4.746958      1.449862
  C      -2.303138     -6.017232      2.240095
  N      -3.424727     -6.362128      3.134272
  C      -4.568486     -6.978633      2.443337
  C      -5.898119     -6.767115      3.208327
  N      -5.975222     -5.488034      3.912243
  Mo     -4.161443     -4.500911      3.920376
  N      -2.955679     -4.991501      5.418496
  C      -2.283563     -6.289420      5.337145
  C      -2.954595     -7.174718      4.272760
  H      -2.337847     -6.827123      6.295940
  H      -1.214596     -6.156858      5.100356
  H      -3.842163     -7.648998      4.709436
  H      -2.264604     -7.966999      3.947086
  H      -6.715386     -6.857068      2.464592
  H      -6.044662     -7.605743      3.916051
  H      -4.659389     -6.498535      1.461729
  H      -4.417925     -8.056928      2.280272
  H      -1.695597     -4.478227      0.885178
  H      -3.393951     -4.953346      0.701954
  H      -1.443008     -5.800315      2.882949
  H      -2.053442     -6.843344      1.558181
  C      -3.867196     -0.927923     -0.217845
  C      -3.396017     -2.303429      0.250254
  C      -3.874106     -2.685574      1.673474
  C      -5.292989     -3.287482      1.794875
  N      -6.324408     -2.427137      2.332961
  C      -6.601098     -1.187537      1.682899
  C      -7.289826     -1.143176      0.462535
  C      -7.611472      0.074498     -0.125848
  C      -7.264162      1.272429      0.487942
  C      -6.584990      1.242896      1.711386
  S      -6.112060      2.708077      2.561570
  C      -6.250363      0.018598      2.301497
  C      -9.400595     -5.945604      5.847186
  C      -8.184574     -6.372347      5.013479
  C      -7.215933     -5.227254      4.738372
  C      -7.804300     -3.912985      4.213169
  N      -7.586106     -2.933005      5.288869
  C      -7.714435     -1.558731      5.171320
  C      -8.641972     -0.939020      4.317481
  C      -8.860527      0.432233      4.375821
  C      -8.155689      1.242048      5.259596
  C      -7.188524      0.663606      6.093566
  S      -6.228151      1.621308      7.214689
  C      -6.935071     -0.714593      6.054722
  C      -1.171173     -5.440108      8.408603
  C      -1.354013     -4.346074      7.352894
  C      -2.726044     -4.207386      6.634821
  C      -3.912305     -4.421007      7.637862
  N      -5.191462     -4.571217      6.915928
  C      -5.947706     -5.684163      7.422124
  C      -5.606069     -7.013987      7.138374
  C      -6.265266     -8.058371      7.784173
  C      -7.270530     -7.801027      8.707528
  C      -7.637980     -6.474903      8.976772
  S      -8.906344     -6.031683     10.089596
  C      -6.969717     -5.432270      8.331222
  H      -3.456727     -0.712119     -1.206816
  H      -3.535337     -0.150738      0.477696
  H      -4.957614     -0.885088     -0.275543
  H      -2.299673     -2.311444      0.262967
  H      -3.731679     -3.062556     -0.467927
  H      -3.813045     -1.748277      2.259801
  H      -5.641189     -3.745299      0.841276
  H      -5.073732     -4.122068      2.513758
  H      -5.922460     -2.159299      3.235402
  H      -7.562133     -2.087365     -0.004610
  H      -8.137952      0.085799     -1.074884
  H      -7.517596      2.219106      0.021682
  H      -6.567018      3.585110      1.650775
  H      -5.706695      0.020249      3.251954
  H      -9.993741     -6.818984      6.123296
  H     -10.038544     -5.260405      5.281407
  H      -9.085360     -5.426292      6.763137
  H      -8.549135     -6.804522      4.068608
  H      -7.664554     -7.175007      5.552138
  H      -6.750728     -4.893664      5.655276
  H      -8.804660     -3.890115      3.744973
  H      -6.990717     -3.693749      3.540227
  H      -6.665674     -3.264360      5.473528
  H      -9.204589     -1.562588      3.624026
  H      -9.606686      0.873121      3.722603
  H      -8.357021      2.307244      5.303672
  H      -6.872088      2.787822      7.046642
  H      -6.186274     -1.154734      6.745178
  H      -1.387953     -6.438947      8.024512
  H      -1.800630     -5.253952      9.281411
  H      -0.129196     -5.424682      8.738854
  H      -1.171135     -3.379065      7.835256
  H      -0.596858     -4.454540      6.566620
  H      -2.766011     -3.148111      6.311456
  H      -3.708070     -5.324501      8.228623
  H      -3.965176     -3.571931      8.339716
  H      -4.752295     -4.822594      5.989583
  H      -4.802080     -7.209344      6.431184
  H      -5.978542     -9.084436      7.574515
  H      -7.760623     -8.621728      9.221935
  H      -9.173567     -7.266838     10.548690
  H      -7.222786     -4.392187      8.540419
  N      -4.996024     -3.015794      5.133667
  N      -5.522673     -2.109898      5.910559
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.753970013044
  N      -3.040244     -3.641524      2.364203
  C      -2.625165     -4.726376      1.461003
  C      -2.322383     -5.996916      2.246861
  N      -3.442719     -6.347390      3.147636
  C      -4.591402     -6.968542      2.460269
  C      -5.916659     -6.767523      3.230213
  N      -5.995634     -5.488376      3.934601
  Mo     -4.176404     -4.483371      3.939683
  N      -2.962060     -4.982110      5.434425
  C      -2.289668     -6.281408      5.344574
  C      -2.965570     -7.163074      4.284077
  H      -2.339322     -6.823883      6.301776
  H      -1.220523     -6.147466      5.103828
  H      -3.851254     -7.639638      4.723608
  H      -2.276866     -7.955076      3.950755
  H      -6.734625     -6.862223      2.487834
  H      -6.057571     -7.608156      3.937855
  H      -4.686336     -6.487414      1.478795
  H      -4.434391     -8.047130      2.295566
  H      -1.717132     -4.457917      0.894632
  H      -3.416463     -4.930648      0.712824
  H      -1.459539     -5.781555      2.889038
  H      -2.073590     -6.823607      1.563041
  C      -3.850623     -0.893147     -0.199406
  C      -3.397914     -2.274111      0.273685
  C      -3.889170     -2.656550      1.691940
  C      -5.316569     -3.246990      1.804930
  N      -6.344528     -2.371825      2.338784
  C      -6.598020     -1.139668      1.672468
  C      -7.274936     -1.111855      0.443933
  C      -7.576835      0.101018     -0.167263
  C      -7.221313      1.307658      0.431223
  C      -6.553845      1.290954      1.663277
  S      -6.071022      2.766129      2.496782
  C      -6.239411      0.071741      2.276237
  C      -9.418838     -5.983337      5.881330
  C      -8.201276     -6.397652      5.042132
  C      -7.247933     -5.242462      4.762571
  C      -7.864094     -3.929705      4.225988
  N      -7.641703     -2.934443      5.292325
  C      -7.754001     -1.563716      5.143627
  C      -8.683480     -0.950681      4.287625
  C      -8.879360      0.426801      4.320803
  C      -8.149505      1.244929      5.180367
  C      -7.178621      0.667126      6.013887
  S      -6.187851      1.633737      7.106054
  C      -6.937609     -0.716397      6.001384
  C      -1.134726     -5.465942      8.391755
  C      -1.338252     -4.356055      7.355180
  C      -2.720420     -4.210059      6.661524
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  N      -5.179754     -4.597121      6.976906
  C      -5.922390     -5.721203      7.466968
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  C      -7.247970     -7.863144      8.712465
  C      -7.613560     -6.540771      9.006093
  S      -8.890511     -6.111856     10.121168
  C      -6.943174     -5.484937      8.383137
  H      -3.427479     -0.680152     -1.186482
  H      -3.517278     -0.117151      0.499695
  H      -4.940570     -0.835511     -0.269387
  H      -2.300203     -2.292228      0.295993
  H      -3.733872     -3.030804     -0.449369
  H      -3.826677     -1.724083      2.283941
  H      -5.667160     -3.698791      0.854046
  H      -5.107455     -4.092429      2.513977
  H      -5.952221     -2.102135      3.246990
  H      -7.554636     -2.060792     -0.012406
  H      -8.095096      0.103673     -1.123478
  H      -7.459972      2.251154     -0.053759
  H      -6.507858      3.632161      1.562881
  H      -5.705981      0.078927      3.231594
  H     -10.001652     -6.865762      6.160574
  H     -10.069517     -5.304331      5.318749
  H      -9.107800     -5.461672      6.800141
  H      -8.560830     -6.835462      4.096909
  H      -7.670305     -7.193899      5.581052
  H      -6.786042     -4.906325      5.683956
  H      -8.861909     -3.920557      3.759173
  H      -7.061601     -3.705782      3.540431
  H      -6.717799     -3.247484      5.490327
  H      -9.266477     -1.579082      3.614822
  H      -9.628581      0.868090      3.667287
  H      -8.334951      2.315960      5.205369
  H      -6.821528      2.806726      6.921080
  H      -6.184619     -1.148631      6.690306
  H      -1.354411     -6.462191      7.996669
  H      -1.751699     -5.297041      9.279461
  H      -0.085986     -5.454291      8.708498
  H      -1.150230     -3.394272      7.849410
  H      -0.590914     -4.450177      6.555418
  H      -2.766814     -3.149767      6.353638
  H      -3.666301     -5.360174      8.254201
  H      -3.935827     -3.610894      8.400666
  H      -4.755443     -4.821518      6.035218
  H      -4.778904     -7.229887      6.442892
  H      -5.954749     -9.128320      7.552656
  H      -7.742162     -8.694214      9.210475
  H      -9.163327     -7.357311     10.555996
  H      -7.198381     -4.448520      8.610606
  N      -4.988631     -2.994935      5.130256
  N      -5.471080     -2.150509      5.867500
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.801283827259
  N      -3.055855     -3.632752      2.380453
  C      -2.644165     -4.717044      1.470658
  C      -2.340859     -5.987815      2.252536
  N      -3.460443     -6.340467      3.158669
  C      -4.614570     -6.963191      2.474466
  C      -5.934460     -6.767683      3.249757
  N      -6.009391     -5.487528      3.953517
  Mo     -4.188717     -4.472267      3.954903
  N      -2.967300     -4.980495      5.446025
  C      -2.296702     -6.281861      5.349283
  C      -2.978663     -7.159201      4.293191
  H      -2.342806     -6.827993      6.305222
  H      -1.227333     -6.148821      5.105009
  H      -3.863515     -7.636075      4.735039
  H      -2.293177     -7.952291      3.952579
  H      -6.754125     -6.864915      2.509441
  H      -6.072009     -7.609393      3.957741
  H      -4.711446     -6.481104      1.493051
  H      -4.453572     -8.042165      2.308179
  H      -1.734887     -4.450667      0.903217
  H      -3.435365     -4.918254      0.721689
  H      -1.475595     -5.776185      2.894473
  H      -2.094231     -6.815907      1.567898
  C      -3.816029     -0.866749     -0.184533
  C      -3.388032     -2.254144      0.294219
  C      -3.896259     -2.635713      1.706212
  C      -5.334904     -3.210323      1.808899
  N      -6.358951     -2.320122      2.339413
  C      -6.596548     -1.093240      1.662869
  C      -7.262561     -1.077848      0.427415
  C      -7.550790      0.131544     -0.198654
  C      -7.193084      1.343875      0.390884
  C      -6.537194      1.336363      1.630077
  S      -6.052064      2.818498      2.455501
  C      -6.236377      0.121267      2.258249
  C      -9.421737     -6.015524      5.908161
  C      -8.204848     -6.415747      5.061663
  C      -7.267419     -5.249289      4.783059
  C      -7.911326     -3.936911      4.243780
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  C      -8.725688     -0.957470      4.262831
  C      -8.906230      0.423917      4.266518
  C      -8.160312      1.253180      5.102165
  C      -7.188272      0.680660      5.939538
  S      -6.175399      1.661005      7.005031
  C      -6.956065     -0.704527      5.954959
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  C      -1.322045     -4.369460      7.349375
  C      -2.715056     -4.217908      6.681395
  C      -3.864617     -4.473294      7.721746
  N      -5.166418     -4.624413      7.032697
  C      -5.898082     -5.756346      7.511985
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  C      -7.230410     -7.916673      8.722292
  C      -7.594325     -6.598218      9.035235
  S      -8.883225     -6.182443     10.148631
  C      -6.919607     -5.531814      8.432503
  H      -3.377248     -0.658373     -1.167863
  H      -3.480242     -0.093431      0.518553
  H      -4.904360     -0.790150     -0.269620
  H      -2.289742     -2.285985      0.328410
  H      -3.724614     -3.007031     -0.434252
  H      -3.830988     -1.708528      2.304838
  H      -5.688724     -3.655171      0.859553
  H      -5.139446     -4.067316      2.507225
  H      -5.979118     -2.050532      3.252984
  H      -7.545417     -2.029375     -0.023629
  H      -8.061119      0.128743     -1.160943
  H      -7.421955      2.284915     -0.106645
  H      -6.475173      3.676145      1.504478
  H      -5.713332      0.131162      3.218634
  H      -9.994954     -6.906375      6.187835
  H     -10.084385     -5.340202      5.352449
  H      -9.112786     -5.496231      6.830019
  H      -8.560319     -6.855117      4.114912
  H      -7.662483     -7.207773      5.596573
  H      -6.809282     -4.914191      5.710555
  H      -8.908169     -3.942146      3.781204
  H      -7.123269     -3.702553      3.540374
  H      -6.763493     -3.215644      5.526319
  H      -9.322188     -1.593966      3.609209
  H      -9.656675      0.860617      3.608461
  H      -8.333826      2.328005      5.105279
  H      -6.801480      2.837243      6.798347
  H      -6.202607     -1.126541      6.642959
  H      -1.319008     -6.485672      7.967033
  H      -1.698580     -5.337552      9.271323
  H      -0.040968     -5.481981      8.670296
  H      -1.127812     -3.412042      7.852321
  H      -0.585993     -4.451179      6.536222
  H      -2.767833     -3.156930      6.385722
  H      -3.625742     -5.393948      8.276944
  H      -3.902783     -3.647721      8.451568
  H      -4.757274     -4.825465      6.079148
  H      -4.756782     -7.252618      6.464058
  H      -5.935496     -9.166985      7.544342
  H      -7.729838     -8.755547      9.204856
  H      -9.161505     -7.436706     10.560698
  H      -7.176932     -4.498596      8.673452
  N      -4.977423     -2.978832      5.121501
  N      -5.425299     -2.180755      5.835784
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.837955859058
  N      -3.066242     -3.635750      2.392888
  C      -2.660439     -4.720021      1.477579
  C      -2.359200     -5.991364      2.255991
  N      -3.478506     -6.342126      3.166972
  C      -4.639459     -6.962195      2.485992
  C      -5.952605     -6.765905      3.267546
  N      -6.016525     -5.483743      3.969776
  Mo     -4.197726     -4.467743      3.965471
  N      -2.970582     -4.987585      5.452307
  C      -2.304485     -6.291989      5.350300
  C      -2.994595     -7.164237      4.299574
  H      -2.348082     -6.840394      6.305512
  H      -1.234832     -6.162682      5.102547
  H      -3.879796     -7.638868      4.743764
  H      -2.314903     -7.960309      3.951883
  H      -6.775378     -6.862660      2.530525
  H      -6.089329     -7.607599      3.976317
  H      -4.736234     -6.479070      1.504610
  H      -4.478053     -8.041803      2.318094
  H      -1.749667     -4.457851      0.909082
  H      -3.451745     -4.917020      0.727744
  H      -1.491265     -5.786069      2.897595
  H      -2.116817     -6.821837      1.571470
  C      -3.767582     -0.848888     -0.170604
  C      -3.368237     -2.243937      0.311287
  C      -3.894874     -2.623469      1.716059
  C      -5.346986     -3.176780      1.806663
  N      -6.365657     -2.271438      2.333926
  C      -6.592434     -1.048271      1.650894
  C      -7.244395     -1.042434      0.407309
  C      -7.522801      0.164463     -0.228670
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  S      -6.053566      2.867747      2.430819
  C      -6.238971      0.168436      2.244004
  C      -9.411317     -6.040409      5.928060
  C      -8.196802     -6.424044      5.072375
  C      -7.274666     -5.245318      4.801422
  C      -7.944959     -3.931875      4.269404
  N      -7.739564     -2.911227      5.337514
  C      -7.841980     -1.541708      5.123031
  C      -8.769748     -0.962285      4.244444
  C      -8.944147      0.420397      4.213843
  C      -8.195511      1.266340      5.029116
  C      -7.226674      0.706917      5.878566
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  C      -1.052944     -5.518036      8.338861
  C      -1.303283     -4.387654      7.333949
  C      -2.708105     -4.232135      6.693674
  C      -3.836616     -4.502040      7.754220
  N      -5.149473     -4.653906      7.083869
  C      -5.872742     -5.790690      7.557540
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  C      -7.216362     -7.963059      8.736855
  C      -7.577600     -6.647987      9.065000
  S      -8.880497     -6.243323     10.173444
  C      -6.896139     -5.573897      8.480404
  H      -3.312806     -0.645117     -1.149088
  H      -3.427494     -0.080484      0.537375
  H      -4.853456     -0.750223     -0.270768
  H      -2.270181     -2.292917      0.357308
  H      -3.706848     -2.991162     -0.423228
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  H      -5.705234     -3.613164      0.857683
  H      -5.169087     -4.046218      2.493489
  H      -6.002097     -2.003267      3.253677
  H      -7.524680     -1.995330     -0.043546
  H      -8.022302      0.158129     -1.197810
  H      -7.392987      2.319917     -0.148248
  H      -6.463765      3.718885      1.465886
  H      -5.730540      0.179481      3.211525
  H      -9.976162     -6.939360      6.204154
  H     -10.084802     -5.365417      5.383329
  H      -9.102459     -5.529162      6.854138
  H      -8.549210     -6.859686      4.122338
  H      -7.643082     -7.214760      5.598401
  H      -6.821276     -4.915768      5.737184
  H      -8.942138     -3.952271      3.813130
  H      -7.175258     -3.680411      3.545347
  H      -6.806521     -3.166787      5.587479
  H      -9.369481     -1.611358      3.606084
  H      -9.692383      0.845668      3.543999
  H      -8.363222      2.342665      5.006440
  H      -6.828246      2.882909      6.686589
  H      -6.247201     -1.084084      6.616182
  H      -1.279479     -6.511280      7.933493
  H      -1.638545     -5.377303      9.255482
  H       0.008445     -5.509625      8.621994
  H      -1.101544     -3.433723      7.842582
  H      -0.580321     -4.458714      6.507043
  H      -2.767355     -3.170773      6.407332
  H      -3.583432     -5.427783      8.296132
  H      -3.863370     -3.683883      8.492467
  H      -4.756326     -4.834893      6.121400
  H      -4.734574     -7.279082      6.493024
  H      -5.920389     -9.202761      7.547554
  H      -7.722613     -8.807203      9.204921
  H      -9.164910     -7.504929     10.563905
  H      -7.154828     -4.543175      8.730941
  N      -4.959833     -2.970057      5.107087
  N      -5.392304     -2.189046      5.831057
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.868025866642
  N      -3.078686     -3.641363      2.404202
  C      -2.679385     -4.724855      1.483336
  C      -2.379893     -5.997527      2.257861
  N      -3.498434     -6.345960      3.173600
  C      -4.665601     -6.961661      2.495894
  C      -5.970477     -6.762594      3.285014
  N      -6.020874     -5.478481      3.985831
  Mo     -4.207554     -4.464518      3.974467
  N      -2.974581     -4.996582      5.455991
  C      -2.313912     -6.303991      5.349043
  C      -3.012943     -7.171594      4.303885
  H      -2.354755     -6.853815      6.303882
  H      -1.244250     -6.179035      5.097474
  H      -3.898626     -7.643473      4.750561
  H      -2.339913     -7.970978      3.949060
  H      -6.797515     -6.857431      2.552784
  H      -6.106251     -7.603851      3.994407
  H      -4.762040     -6.477121      1.514833
  H      -4.504776     -8.041636      2.325792
  H      -1.767702     -4.466440      0.913519
  H      -3.471133     -4.917340      0.732839
  H      -1.509098     -5.799391      2.898661
  H      -2.142357     -6.830181      1.573438
  C      -3.725533     -0.830695     -0.149448
  C      -3.351981     -2.234152      0.328896
  C      -3.894396     -2.612914      1.725950
  C      -5.359239     -3.142168      1.802550
  N      -6.369595     -2.223753      2.326888
  C      -6.583788     -1.003875      1.637130
  C      -7.217393     -1.005039      0.383389
  C      -7.482972      0.200140     -0.261811
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  C      -6.518028      1.423960      1.581881
  S      -6.052078      2.915518      2.410482
  C      -6.238613      0.214631      2.230503
  C      -9.399137     -6.061449      5.945483
  C      -8.186512     -6.428739      5.081416
  C      -7.276209     -5.238529      4.819963
  C      -7.968122     -3.926570      4.298142
  N      -7.784243     -2.901377      5.370902
  C      -7.888333     -1.533655      5.123684
  C      -8.812602     -0.977674      4.226987
  C      -8.983616      0.404682      4.162035
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  C      -7.272331      0.725848      5.823958
  S      -6.247928      1.749860      6.848229
  C      -7.044883     -0.655018      5.899226
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  C      -1.284916     -4.402574      7.313614
  C      -2.702035     -4.246630      6.701903
  C      -3.807861     -4.529483      7.782359
  N      -5.131187     -4.683163      7.131748
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  C      -7.561805     -6.690212      9.095275
  S      -8.877377     -6.293714     10.197950
  C      -6.872772     -5.611265      8.526889
  H      -3.258149     -0.627648     -1.123144
  H      -3.380140     -0.069697      0.565101
  H      -4.809061     -0.711093     -0.260870
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  H      -3.693632     -2.973812     -0.412654
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  H      -7.494059     -1.958301     -0.069515
  H      -7.968095      0.191698     -1.239083
  H      -7.351387      2.357080     -0.189856
  H      -6.444993      3.761443      1.432035
  H      -5.748796      0.225763      3.207059
  H      -9.957331     -6.967420      6.216349
  H     -10.081620     -5.385614      5.412036
  H      -9.090411     -5.559672      6.876459
  H      -8.536408     -6.858725      4.127705
  H      -7.622865     -7.219275      5.597760
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  H      -9.411826     -1.640059      3.601872
  H      -9.727965      0.816379      3.478216
  H      -8.400650      2.345318      4.910540
  H      -6.868299      2.920442      6.580201
  H      -6.297639     -1.048254      6.596400
  H      -1.236901     -6.531641      7.899344
  H      -1.575854     -5.409614      9.235708
  H       0.059144     -5.528266      8.569176
  H      -1.076354     -3.451122      7.825709
  H      -0.575938     -4.463252      6.473138
  H      -2.769200     -3.185121      6.422968
  H      -3.540980     -5.458596      8.312999
  H      -3.822651     -3.716606      8.526466
  H      -4.754689     -4.846193      6.162950
  H      -4.713642     -7.306893      6.525301
  H      -5.909472     -9.235786      7.557090
  H      -7.719030     -8.850316      9.209581
  H      -9.168440     -7.561162     10.568323
  H      -7.131585     -4.582401      8.784880
  N      -4.941554     -2.965614      5.089581
  N      -5.364430     -2.195166      5.834279
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.892693899042
  N      -3.092268     -3.649289      2.414755
  C      -2.699171     -4.731028      1.488537
  C      -2.401089     -6.005599      2.258848
  N      -3.518643     -6.351845      3.178572
  C      -4.690442     -6.962202      2.503394
  C      -5.986224     -6.759563      3.300742
  N      -6.022401     -5.473728      4.000423
  Mo     -4.217657     -4.462581      3.982292
  N      -2.979432     -5.006931      5.458148
  C      -2.324739     -6.317129      5.346671
  C      -3.032463     -7.180891      4.306532
  H      -2.362919     -6.867589      6.301497
  H      -1.255241     -6.196778      5.091405
  H      -3.918705     -7.649885      4.755437
  H      -2.366227     -7.983577      3.945189
  H      -6.818351     -6.851441      2.574404
  H      -6.120579     -7.600231      4.010493
  H      -4.786335     -6.475845      1.522929
  H      -4.530596     -8.042225      2.330475
  H      -1.786988     -4.475348      0.917657
  H      -3.491279     -4.918927      0.737224
  H      -1.527575     -5.814840      2.898616
  H      -2.168319     -6.839995      1.574415
  C      -3.679916     -0.813223     -0.125003
  C      -3.333643     -2.225539      0.347264
  C      -3.892966     -2.604307      1.735841
  C      -5.370139     -3.107285      1.796602
  N      -6.370113     -2.178451      2.319970
  C      -6.574614     -0.960566      1.626279
  C      -7.191154     -0.964794      0.363421
  C      -7.446115      0.240189     -0.286746
  C      -7.109147      1.461029      0.302121
  C      -6.508214      1.467171      1.568822
  S      -6.054665      2.960438      2.404383
  C      -6.238545      0.258699      2.223144
  C      -9.386458     -6.073043      5.962955
  C      -8.176702     -6.429051      5.091287
  C      -7.272477     -5.230820      4.837238
  C      -7.981110     -3.923721      4.325073
  N      -7.823738     -2.897591      5.399324
  C      -7.932392     -1.533484      5.120241
  C      -8.853919     -1.002110      4.205517
  C      -9.022991      0.378645      4.106935
  C      -8.278670      1.261714      4.887360
  C      -7.318040      0.737522      5.766768
  S      -6.291806      1.785024      6.769621
  C      -7.092815     -0.640730      5.870614
  C      -0.962683     -5.552519      8.269469
  C      -1.267804     -4.413667      7.289988
  C      -2.697419     -4.261225      6.707335
  C      -3.779571     -4.556024      7.806884
  N      -5.112623     -4.712171      7.176529
  C      -5.824755     -5.853616      7.647193
  C      -5.495454     -7.168757      7.279608
  C      -6.174247     -8.245500      7.850407
  C      -7.197991     -8.036688      8.774982
  C      -7.548676     -6.725180      9.125744
  S      -8.875367     -6.333630     10.221671
  C      -6.851037     -5.644132      8.571570
  H      -3.199539     -0.610004     -1.092946
  H      -3.329022     -0.061581      0.597406
  H      -4.760152     -0.672186     -0.247540
  H      -2.237612     -2.309698      0.410529
  H      -3.678233     -2.956181     -0.402295
  H      -3.811835     -1.697997      2.361545
  H      -5.738508     -3.520370      0.843329
  H      -5.235701     -4.003867      2.455742
  H      -6.041533     -1.918374      3.255375
  H      -7.463597     -1.917158     -0.094072
  H      -7.917847      0.231976     -1.271075
  H      -7.315458      2.398162     -0.216445
  H      -6.431980      3.804054      1.416728
  H      -5.766256      0.267974      3.208019
  H      -9.941326     -6.983157      6.229617
  H     -10.075041     -5.394994      5.439751
  H      -9.076116     -5.580314      6.897931
  H      -8.526512     -6.853206      4.135024
  H      -7.606036     -7.220403      5.598978
  H      -6.833016     -4.916218      5.789319
  H      -8.981890     -3.976874      3.883326
  H      -7.255226     -3.634127      3.563392
  H      -6.885102     -3.080243      5.723688
  H      -9.451339     -1.677792      3.593136
  H      -9.763162      0.775578      3.409240
  H      -8.439787      2.337211      4.811324
  H      -6.910218      2.949433      6.468338
  H      -6.346805     -1.021224      6.573653
  H      -1.192194     -6.546503      7.864731
  H      -1.512382     -5.434806      9.212827
  H       0.109659     -5.537788      8.513483
  H      -1.053647     -3.463790      7.803802
  H      -0.573457     -4.463709      6.436284
  H      -2.774246     -3.199669      6.434363
  H      -3.499620     -5.487007      8.328169
  H      -3.782476     -3.746446      8.554571
  H      -4.752476     -4.859612      6.203267
  H      -4.694928     -7.336005      6.560962
  H      -5.903899     -9.266354      7.572556
  H      -7.720712     -8.885367      9.218342
  H      -9.174065     -7.605252     10.573851
  H      -7.108670     -4.616381      8.834898
  N      -4.924433     -2.963006      5.070943
  N      -5.337450     -2.204389      5.833813
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.912964957241
  N      -3.105845     -3.660144      2.424155
  C      -2.718587     -4.739461      1.493059
  C      -2.421867     -6.016240      2.259102
  N      -3.538439     -6.360141      3.181959
  C      -4.713783     -6.964044      2.508399
  C      -6.000281     -6.757002      3.314499
  N      -6.021394     -5.469707      4.013414
  Mo     -4.227321     -4.462637      3.988994
  N      -2.984907     -5.019160      5.459234
  C      -2.336701     -6.331981      5.343731
  C      -3.052720     -7.192384      4.307884
  H      -2.372657     -6.882436      6.298866
  H      -1.267387     -6.216674      5.085060
  H      -3.939686     -7.658124      4.758887
  H      -2.393286     -7.998490      3.940988
  H      -6.838365     -6.844652      2.595047
  H      -6.133032     -7.597094      4.024444
  H      -4.808952     -6.475385      1.528832
  H      -4.555800     -8.043971      2.332036
  H      -1.806259     -4.485636      0.921306
  H      -3.511001     -4.922935      0.740888
  H      -1.545672     -5.832907      2.897521
  H      -2.193852     -6.852008      1.574484
  C      -3.633592     -0.796789     -0.097166
  C      -3.313651     -2.218140      0.365627
  C      -3.889692     -2.598345      1.745376
  C      -5.378337     -3.073693      1.788867
  N      -6.367013     -2.136146      2.312345
  C      -6.563805     -0.919770      1.615860
  C      -7.161253     -0.925347      0.343495
  C      -7.406705      0.279798     -0.310081
  C      -7.080842      1.501512      0.283759
  C      -6.500954      1.508187      1.560010
  S      -6.064224      3.002342      2.404967
  C      -6.239907      0.300089      2.218320
  C      -9.371650     -6.072130      5.983154
  C      -8.167213     -6.422953      5.103391
  C      -7.263472     -5.220792      4.853910
  C      -7.985176     -3.920650      4.351257
  N      -7.858311     -2.894442      5.425121
  C      -7.975633     -1.535031      5.116869
  C      -8.894995     -1.029084      4.184762
  C      -9.064631      0.348844      4.053898
  C      -8.325198      1.251291      4.817654
  C      -7.367750      0.748393      5.712079
  S      -6.342301      1.819946      6.692615
  C      -7.143542     -0.626994      5.843562
  C      -0.917283     -5.562764      8.231162
  C      -1.251917     -4.422451      7.263670
  C      -2.694028     -4.277034      6.710634
  C      -3.751801     -4.583549      7.828456
  N      -5.093944     -4.742083      7.218457
  C      -5.802881     -5.884181      7.690321
  C      -5.478547     -7.198328      7.314989
  C      -6.165591     -8.275855      7.874423
  C      -7.193249     -8.068671      8.795032
  C      -7.537439     -6.758088      9.155123
  S      -8.873958     -6.370894     10.244178
  C      -6.830777     -5.676129      8.614102
  H      -3.141106     -0.591523     -1.058863
  H      -3.277321     -0.056339      0.634424
  H      -4.710228     -0.635464     -0.229283
  H      -2.219384     -2.320161      0.436276
  H      -3.661114     -2.938416     -0.392779
  H      -3.802946     -1.700537      2.382190
  H      -5.750877     -3.472228      0.831066
  H      -5.269324     -3.984250      2.433168
  H      -6.056566     -1.882928      3.255564
  H      -7.426994     -1.876557     -0.120185
  H      -7.863473      0.272290     -1.301665
  H      -7.280867      2.438446     -0.237863
  H      -6.425417      3.844954      1.409913
  H      -5.787155      0.307297      3.212086
  H      -9.926724     -6.983314      6.247262
  H     -10.063542     -5.389820      5.469888
  H      -9.056308     -5.588258      6.920532
  H      -8.520564     -6.841025      4.145991
  H      -7.592450     -7.216619      5.602961
  H      -6.830226     -4.914615      5.812927
  H      -8.989600     -3.995046      3.920281
  H      -7.285654     -3.612275      3.569611
  H      -6.921954     -3.040088      5.787545
  H      -9.488577     -1.718158      3.583894
  H      -9.800465      0.729645      3.342471
  H      -8.485337      2.324684      4.714801
  H      -6.959524      2.976086      6.357457
  H      -6.398251     -0.995635      6.552170
  H      -1.145904     -6.557872      7.828115
  H      -1.448782     -5.455883      9.186534
  H       0.159567     -5.541141      8.454894
  H      -1.033441     -3.473556      7.778216
  H      -0.572883     -4.461108      6.396974
  H      -2.782357     -3.215458      6.443059
  H      -3.459180     -5.515408      8.341619
  H      -3.743077     -3.775924      8.578167
  H      -4.749358     -4.876160      6.241670
  H      -4.677020     -7.366180      6.597505
  H      -5.900747     -9.296285      7.589234
  H      -7.724856     -8.917814      9.227057
  H      -9.180450     -7.645755     10.578715
  H      -7.086616     -4.649183      8.881934
  N      -4.909454     -2.960608      5.054584
  N      -5.313918     -2.211188      5.833840
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.929592933621
  N      -3.119008     -3.673954      2.432442
  C      -2.737191     -4.750344      1.496925
  C      -2.441783     -6.029336      2.259022
  N      -3.557478     -6.370541      3.184459
  C      -4.735742     -6.967163      2.511722
  C      -6.013203     -6.755315      3.326699
  N      -6.018763     -5.466880      4.025040
  Mo     -4.236138     -4.464595      3.995055
  N      -2.990454     -5.033035      5.459933
  C      -2.349353     -6.348495      5.340973
  C      -3.073377     -7.205680      4.308845
  H      -2.383577     -6.898395      6.296726
  H      -1.280169     -6.238853      5.079093
  H      -3.961342     -7.667552      4.761950
  H      -2.420765     -8.015487      3.937472
  H      -6.857783     -6.837682      2.614847
  H      -6.144371     -7.594769      4.036874
  H      -4.830122     -6.475723      1.533365
  H      -4.580518     -8.046942      2.331460
  H      -1.825052     -4.497586      0.924300
  H      -3.529991     -4.929714      0.743974
  H      -1.562792     -5.853240      2.895633
  H      -2.218637     -6.866288      1.574098
  C      -3.585016     -0.781768     -0.066268
  C      -3.291013     -2.212273      0.384358
  C      -3.884136     -2.595177      1.754797
  C      -5.383427     -3.041719      1.779733
  N      -6.360280     -2.096652      2.304914
  C      -6.552028     -0.881184      1.607477
  C      -7.129310     -0.886429      0.325632
  C      -7.367368      0.319439     -0.329318
  C      -7.055639      1.541442      0.271697
  C      -6.497782      1.547351      1.557559
  S      -6.081995      3.041542      2.414205
  C      -6.243311      0.338995      2.217668
  C      -9.356921     -6.060329      6.005904
  C      -8.159441     -6.411631      5.118073
  C      -7.251284     -5.209330      4.869582
  C      -7.982563     -3.917850      4.373575
  N      -7.888794     -2.891986      5.445296
  C      -8.017869     -1.537702      5.111410
  C      -8.935756     -1.057772      4.163072
  C      -9.108508      0.316312      4.001292
  C      -8.375874      1.238622      4.748468
  C      -7.420726      0.759311      5.657435
  S      -6.398208      1.855357      6.614520
  C      -7.196013     -0.612708      5.816305
  C      -0.870334     -5.570086      8.190285
  C      -1.235937     -4.429395      7.235108
  C      -2.690515     -4.294237      6.712631
  C      -3.723249     -4.612545      7.848046
  N      -5.074086     -4.772499      7.258248
  C      -5.781397     -5.914251      7.731829
  C      -5.462871     -7.227700      7.349365
  C      -6.159584     -8.305071      7.897216
  C      -7.191033     -8.098127      8.813500
  C      -7.527529     -6.788158      9.182948
  S      -8.872079     -6.403886     10.265513
  C      -6.810907     -5.706542      8.654477
  H      -3.080706     -0.573059     -1.021188
  H      -3.223633     -0.054183      0.675764
  H      -4.657729     -0.601054     -0.206950
  H      -2.198884     -2.332106      0.461726
  H      -3.641179     -2.920966     -0.383732
  H      -3.791836     -1.706365      2.403180
  H      -5.759074     -3.423610      0.816124
  H      -5.302343     -3.966058      2.408766
  H      -6.068223     -1.851984      3.255880
  H      -7.385845     -1.836279     -0.145783
  H      -7.808410      0.313208     -1.328079
  H      -7.250943      2.478626     -0.251270
  H      -6.427744      3.884564      1.413831
  H      -5.811124      0.343726      3.220418
  H      -9.915007     -6.970067      6.269442
  H     -10.049799     -5.372500      5.501605
  H      -9.034077     -5.584204      6.944175
  H      -8.518964     -6.824376      4.160921
  H      -7.583256     -7.208445      5.611050
  H      -6.823806     -4.910890      5.834749
  H      -8.991015     -4.017137      3.955484
  H      -7.311269     -3.591877      3.572044
  H      -6.958498     -3.003328      5.844382
  H      -9.523846     -1.760385      3.572758
  H      -9.840265      0.679662      3.276571
  H      -8.536842      2.308930      4.618927
  H      -7.014675      3.001471      6.244978
  H      -6.451025     -0.969869      6.530270
  H      -1.096741     -6.566492      7.788873
  H      -1.383400     -5.474018      9.157024
  H       0.210480     -5.539500      8.393224
  H      -1.014284     -3.481004      7.749768
  H      -0.573185     -4.455746      6.355372
  H      -2.792207     -3.232756      6.450502
  H      -3.418403     -5.544717      8.353767
  H      -3.703031     -3.806026      8.598775
  H      -4.744501     -4.895493      6.278352
  H      -4.659841     -7.396934      6.633721
  H      -5.900967     -9.325132      7.605003
  H      -7.732199     -8.946908      9.234245
  H      -9.187608     -7.681038     10.582705
  H      -7.063677     -4.680062      8.926654
  N      -4.896664     -2.957058      5.042151
  N      -5.292838     -2.214875      5.833312
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.943266630279
  N      -3.131148     -3.690276      2.440076
  C      -2.754555     -4.763423      1.500532
  C      -2.460629     -6.044436      2.259195
  N      -3.575643     -6.382227      3.186867
  C      -4.756744     -6.970794      2.514334
  C      -6.025766     -6.754006      3.337966
  N      -6.015364     -5.464837      4.035769
  Mo     -4.243561     -4.467992      4.001345
  N      -2.995594     -5.048207      5.461269
  C      -2.362386     -6.366547      5.339196
  C      -3.094376     -7.220136      4.310161
  H      -2.395415     -6.915609      6.295748
  H      -1.293232     -6.263348      5.074262
  H      -3.983764     -7.677278      4.765267
  H      -2.448767     -8.034071      3.935291
  H      -6.877057     -6.830179      2.634045
  H      -6.155708     -7.592686      4.048624
  H      -4.850362     -6.476015      1.537556
  H      -4.605268     -8.050437      2.329796
  H      -1.842939     -4.511204      0.926858
  H      -3.547995     -4.939022      0.747059
  H      -1.578609     -5.875408      2.893448
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  H      -3.018983     -0.554801     -0.980127
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  H      -4.603338     -0.569263     -0.180426
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  H      -7.751479      0.350101     -1.354090
  H      -7.226095      2.515761     -0.263248
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  H     -10.034520     -5.345820      5.535954
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  H      -8.520714     -6.804632      4.180241
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  H      -6.815149     -4.904050      5.854567
  H      -8.988332     -4.041885      3.987225
  H      -7.334135     -3.572557      3.569226
  H      -6.994247     -2.970569      5.890325
  H      -9.557250     -1.800657      3.560800
  H      -9.883122      0.629987      3.214855
  H      -8.594708      2.293041      4.528550
  H      -7.076041      3.026899      6.136800
  H      -6.505480     -0.941975      6.510121
  H      -1.044619     -6.573948      7.745793
  H      -1.315547     -5.491958      9.124318
  H       0.262988     -5.535594      8.328330
  H      -0.995066     -3.487712      7.720229
  H      -0.573775     -4.448376      6.312293
  H      -2.802699     -3.251851      6.458938
  H      -3.376435     -5.576858      8.364823
  H      -3.661224     -3.838904      8.618576
  H      -4.737349     -4.917385      6.313998
  H      -4.644266     -7.427590      6.666924
  H      -5.905858     -9.352990      7.615379
  H      -7.743245     -8.973857      9.236744
  H      -9.195309     -7.712887     10.585135
  H      -7.038426     -4.710198      8.970916
  N      -4.885307     -2.951513      5.035669
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103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.954594984985
  N      -3.142205     -3.708143      2.447232
  C      -2.770498     -4.777775      1.503936
  C      -2.478182     -6.060436      2.259799
  N      -3.592701     -6.394008      3.189554
  C      -4.776926     -6.973997      2.516910
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  N      -6.012119     -5.463228      4.046325
  Mo     -4.249322     -4.472243      4.008367
  N      -2.999951     -5.063891      5.463886
  C      -2.375305     -6.385435      5.338741
  C      -3.115245     -7.234736      4.312068
  H      -2.407551     -6.933702      6.296072
  H      -1.306113     -6.289253      5.070877
  H      -4.006482     -7.686353      4.768915
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  H      -2.266130     -6.899706      1.573991
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  C      -5.382909     -2.982780      1.759465
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  H      -2.957009     -0.536478     -0.935959
  H      -3.113847     -0.057351      0.769975
  H      -4.548348     -0.540177     -0.150232
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  H      -7.693791      0.379715     -1.382047
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  H      -9.894515     -6.916305      6.329650
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  H      -7.029919     -2.942548      5.927783
  H      -9.589125     -1.836433      3.550108
  H      -9.927772      0.584182      3.160397
  H      -8.655449      2.278953      4.447483
  H      -7.138479      3.052081      6.036687
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  H      -1.246887     -5.509951      9.089942
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  H      -0.976038     -3.493730      7.691979
  H      -0.574154     -4.438920      6.270074
  H      -2.813214     -3.272274      6.469738
  H      -3.333432     -5.612415      8.374620
  H      -3.617823     -3.875386      8.638813
  H      -4.727771     -4.941253      6.348651
  H      -4.631611     -7.457258      6.694325
  H      -5.916580     -9.379468      7.616809
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  H      -9.203032     -7.742117     10.585759
  H      -7.010179     -4.740160      9.015529
  N      -4.874326     -2.944521      5.034663
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103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.964028192350
  N      -3.152106     -3.726607      2.453912
  C      -2.784751     -4.792415      1.506927
  C      -2.494235     -6.076438      2.260479
  N      -3.608513     -6.405011      3.192116
  C      -4.796286     -6.975905      2.519079
  C      -6.051025     -6.750763      3.358743
  N      -6.009711     -5.461814      4.056518
  Mo     -4.253365     -4.477047      4.016113
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  C      -3.135793     -7.249016      4.313935
  H      -2.419911     -6.953040      6.297051
  H      -1.318715     -6.316252      5.068622
  H      -4.029362     -7.694444      4.772037
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  H      -2.288473     -6.916877      1.574091
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  H      -2.895123     -0.517165     -0.888752
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  H      -7.636945      0.401325     -1.412958
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  H      -5.906522      0.451895      3.241772
  H      -9.884614     -6.884232      6.364531
  H     -10.004253     -5.279862      5.611488
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  H      -7.064741     -2.919330      5.958138
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  H      -9.972968      0.543835      3.114133
  H      -8.716898      2.267336      4.377829
  H      -7.199582      3.076154      5.947526
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  H      -0.957956     -3.499483      7.666230
  H      -0.574510     -4.427754      6.229910
  H      -2.823961     -3.294124      6.483248
  H      -3.290298     -5.651840      8.382834
  H      -3.573601     -3.916080      8.659846
  H      -4.716180     -4.967383      6.382120
  H      -4.621784     -7.487184      6.717898
  H      -5.932388     -9.405001      7.613222
  H      -7.776708     -9.021863      9.224691
  H      -9.211086     -7.767354     10.586521
  H      -6.979787     -4.769707      9.059759
  N      -4.862897     -2.937448      5.037893
  N      -5.236870     -2.198527      5.841441
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.971922146530
  N      -3.161193     -3.745162      2.459856
  C      -2.797496     -4.806992      1.509235
  C      -2.508850     -6.092183      2.260983
  N      -3.623095     -6.415048      3.194366
  C      -4.814742     -6.976543      2.520756
  C      -6.063607     -6.748762      3.367534
  N      -6.008416     -5.460883      4.066184
  Mo     -4.255946     -4.482321      4.024291
  N      -3.006521     -5.096572      5.472483
  C      -2.400360     -6.425381      5.340163
  C      -3.155932     -7.262934      4.315495
  H      -2.432335     -6.973635      6.298185
  H      -1.331037     -6.343983      5.067007
  H      -4.052280     -7.701602      4.774440
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  H      -2.309769     -6.933837      1.574013
  C      -3.382687     -0.730997      0.085126
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  C      -5.370569     -2.930529      1.737078
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  H      -3.730833     -1.747911      2.491129
  H      -5.741674     -3.228681      0.741999
  H      -5.420235     -3.896772      2.304909
  H      -6.078672     -1.748144      3.247549
  H      -7.170399     -1.716997     -0.249019
  H      -7.582341      0.420726     -1.443342
  H      -7.188415      2.597510     -0.320461
  H      -6.542091      4.019249      1.403147
  H      -5.941458      0.487980      3.243346
  H      -9.873257     -6.853068      6.402198
  H      -9.989222     -5.247018      5.652021
  H      -8.929577     -5.500974      7.054154
  H      -8.537818     -6.739572      4.253503
  H      -7.565318     -7.144205      5.676740
  H      -6.789151     -4.867448      5.902992
  H      -8.972646     -4.112517      4.056829
  H      -7.391086     -3.525609      3.542254
  H      -7.097995     -2.900505      5.980490
  H      -9.647215     -1.894872      3.530875
  H     -10.017671      0.506708      3.071091
  H      -8.778064      2.256633      4.314250
  H      -7.259205      3.098219      5.864139
  H      -6.660226     -0.853811      6.463947
  H      -0.881138     -6.590575      7.603217
  H      -1.112627     -5.548536      9.017932
  H       0.419317     -5.516433      8.134899
  H      -0.941294     -3.505369      7.642875
  H      -0.575302     -4.415563      6.191772
  H      -2.835192     -3.317297      6.498727
  H      -3.248127     -5.694638      8.388766
  H      -3.529303     -3.960536      8.680998
  H      -4.703294     -4.995932      6.413740
  H      -4.614792     -7.518434      6.739890
  H      -5.952431     -9.429463      7.610034
  H      -7.797607     -9.040598      9.218807
  H      -9.218750     -7.785584     10.590943
  H      -6.947931     -4.797213      9.102323
  N      -4.850798     -2.931555      5.043608
  N      -5.217840     -2.187659      5.844586
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.978564498258
  N      -3.170165     -3.763283      2.464927
  C      -2.809351     -4.821044      1.510709
  C      -2.522484     -6.107349      2.260990
  N      -3.636782     -6.424023      3.196055
  C      -4.832547     -6.975877      2.521769
  C      -6.076144     -6.746586      3.375174
  N      -6.008443     -5.460358      4.075295
  Mo     -4.257600     -4.487947      4.032666
  N      -3.009308     -5.113556      5.477532
  C      -2.412487     -6.446098      5.341023
  C      -3.175746     -7.276456      4.316365
  H      -2.444631     -6.995320      6.298802
  H      -1.343212     -6.371818      5.065328
  H      -4.075134     -7.707992      4.775935
  H      -2.559608     -8.109541      3.933453
  H      -6.950584     -6.795830      2.699545
  H      -6.202288     -7.583793      4.087327
  H      -4.926129     -6.459636      1.556497
  H      -4.701378     -8.054209      2.314898
  H      -1.902144     -4.566030      0.931928
  H      -3.607619     -4.985698      0.758318
  H      -1.627562     -5.963486      2.882800
  H      -2.330349     -6.950208      1.573439
  C      -3.334953     -0.718667      0.126837
  C      -3.145543     -2.189813      0.493702
  C      -3.827405     -2.603209      1.810017
  C      -5.362099     -2.906374      1.724873
  N      -6.280545     -1.922116      2.261539
  C      -6.483779     -0.720417      1.559090
  C      -6.942783     -0.738985      0.229043
  C      -7.179215      0.460247     -0.437972
  C      -6.987508      1.691042      0.193685
  C      -6.553292      1.710092      1.526428
  S      -6.300720      3.217936      2.424076
  C      -6.298064      0.510719      2.201022
  C      -9.282324     -5.933279      6.159102
  C      -8.135871     -6.318627      5.222761
  C      -7.192295     -5.138832      4.933710
  C      -7.949988     -3.891488      4.410527
  N      -7.998815     -2.856852      5.458592
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  C      -9.126311     -1.158246      4.072609
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  C      -8.658225      1.196722      4.485770
  C      -7.706240      0.828421      5.446950
  S      -6.718066      2.025111      6.309273
  C      -7.456819     -0.519972      5.716284
  C      -0.624533     -5.599482      7.968014
  C      -1.148653     -4.454681      7.096788
  C      -2.653935     -4.400422      6.729941
  C      -3.561733     -4.798132      7.936612
  N      -4.950748     -4.933592      7.438731
  C      -5.677323     -6.063072      7.907404
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  S      -8.833303     -6.522278     10.375800
  C      -6.706678     -5.847373      8.829721
  H      -2.775840     -0.475778     -0.788526
  H      -2.964595     -0.065432      0.931153
  H      -4.388593     -0.464533     -0.046550
  H      -2.066678     -2.384433      0.601784
  H      -3.499113     -2.831386     -0.330203
  H      -3.715836     -1.759585      2.513486
  H      -5.726747     -3.180365      0.720747
  H      -5.446641     -3.878091      2.277974
  H      -6.071828     -1.723296      3.241666
  H      -7.112040     -1.691498     -0.274521
  H      -7.529316      0.441421     -1.471947
  H      -7.183465      2.621896     -0.339791
  H      -6.583992      4.048307      1.393934
  H      -5.975136      0.522950      3.243801
  H      -9.859712     -6.824863      6.442489
  H      -9.974052     -5.217526      5.694248
  H      -8.901166     -5.478595      7.084636
  H      -8.544338     -6.721168      4.281483
  H      -7.559354     -7.126929      5.696698
  H      -6.781058     -4.850353      5.913891
  H      -8.969316     -4.133755      4.071216
  H      -7.407607     -3.518031      3.529104
  H      -7.129736     -2.884683      5.995513
  H      -9.672608     -1.920702      3.517425
  H     -10.061108      0.472171      3.028868
  H      -8.838738      2.246383      4.254688
  H      -7.317980      3.117983      5.784611
  H      -6.708458     -0.825367      6.449274
  H      -0.829174     -6.594832      7.552157
  H      -1.050408     -5.569378      8.980644
  H       0.466745     -5.509618      8.073341
  H      -0.926991     -3.511300      7.622009
  H      -0.577136     -4.402906      6.156168
  H      -2.847369     -3.341387      6.515257
  H      -3.208172     -5.739708      8.391982
  H      -3.486232     -4.007774      8.701614
  H      -4.690101     -5.027102      6.442820
  H      -4.609466     -7.551351      6.761956
  H      -5.973465     -9.453413      7.611236
  H      -7.817938     -9.056014      9.218457
  H      -9.224444     -7.797724     10.600953
  H      -6.915826     -4.822662      9.142244
  N      -4.838290     -2.927352      5.050508
  N      -5.198559     -2.175449      5.846224
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.984198799280
  N      -3.179449     -3.780270      2.469127
  C      -2.820631     -4.833810      1.511268
  C      -2.535204     -6.121325      2.260089
  N      -3.649480     -6.431784      3.196819
  C      -4.849514     -6.973794      2.521768
  C      -6.088275     -6.744112      3.381502
  N      -6.009424     -5.460066      4.083750
  Mo     -4.258504     -4.493737      4.041043
  N      -3.011868     -5.130831      5.482493
  C      -2.423910     -6.466810      5.341061
  C      -3.194773     -7.289448      4.315990
  H      -2.455886     -7.017730      6.298110
  H      -1.354860     -6.398842      5.062590
  H      -4.097193     -7.713808      4.776170
  H      -2.586150     -8.127357      3.931537
  H      -6.967025     -6.787356      2.711283
  H      -6.213068     -7.582198      4.092854
  H      -4.944013     -6.449716      1.560926
  H      -4.723641     -8.051268      2.307249
  H      -1.914713     -4.576704      0.931681
  H      -3.620174     -4.996712      0.759545
  H      -1.637383     -5.982670      2.878772
  H      -2.350057     -6.965230      1.571852
  C      -3.289862     -0.706647      0.167358
  C      -3.114570     -2.183545      0.518347
  C      -3.815401     -2.605575      1.821985
  C      -5.353314     -2.882899      1.712031
  N      -6.259734     -1.888810      2.250999
  C      -6.469916     -0.690966      1.548047
  C      -6.905472     -0.711732      0.209666
  C      -7.145795      0.485766     -0.458968
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  C      -6.570141      1.739186      1.517768
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  C      -6.311342      0.542164      2.194843
  C      -9.265424     -5.911334      6.194976
  C      -8.130604     -6.302581      5.247172
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  C      -7.948987     -3.888746      4.406966
  N      -8.014949     -2.847572      5.445680
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  C      -9.385054      0.173714      3.765691
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  C      -7.761731      0.840177      5.412046
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  C      -7.504718     -0.503164      5.697288
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  C      -3.530945     -4.840281      7.950081
  N      -4.926049     -4.967056      7.467473
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  C      -7.478524     -6.931470      9.319531
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  C      -6.686322     -5.870743      8.860436
  H      -2.719158     -0.455954     -0.738660
  H      -2.924070     -0.066032      0.983880
  H      -4.340041     -0.443611     -0.014426
  H      -2.038494     -2.388422      0.635060
  H      -3.464528     -2.812394     -0.316936
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  H      -5.472426     -3.858153      2.250814
  H      -6.062362     -1.698045      3.234558
  H      -7.054811     -1.664468     -0.299480
  H      -7.478217      0.463940     -1.498726
  H      -7.179553      2.647114     -0.357606
  H      -6.624725      4.076782      1.385232
  H      -6.006950      0.557116      3.243098
  H      -9.843831     -6.800089      6.485040
  H      -9.958557     -5.192059      5.737568
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  H      -8.550208     -6.706060      4.311202
  H      -7.551025     -7.110830      5.717515
  H      -6.773099     -4.831095      5.921831
  H      -8.967872     -4.153747      4.081270
  H      -7.422624     -3.515716      3.514980
  H      -7.159641     -2.870986      6.003939
  H      -9.694971     -1.944641      3.499923
  H     -10.102627      0.440246      2.986952
  H      -8.898814      2.236537      4.199308
  H      -7.376434      3.135253      5.710124
  H      -6.755213     -0.798057      6.433570
  H      -0.782486     -6.599920      7.501594
  H      -0.994642     -5.592119      8.944097
  H       0.508876     -5.505456      8.015960
  H      -0.914803     -3.518597      7.604330
  H      -0.579690     -4.391911      6.124216
  H      -2.859689     -3.366154      6.532221
  H      -3.171399     -5.786151      8.392203
  H      -3.445026     -4.056966      8.721322
  H      -4.677276     -5.060906      6.468920
  H      -4.605256     -7.585664      6.785056
  H      -5.993632     -9.476983      7.619088
  H      -7.835986     -9.068490      9.225759
  H      -9.227426     -7.804231     10.617348
  H      -6.884212     -4.845655      9.179132
  N      -4.825500     -2.924784      5.057515
  N      -5.178938     -2.162416      5.845622
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.989037320941
  N      -3.189116     -3.796164      2.472337
  C      -2.831486     -4.845418      1.510842
  C      -2.547147     -6.134354      2.258070
  N      -3.661227     -6.438819      3.196521
  C      -4.865696     -6.970724      2.520679
  C      -6.099925     -6.741304      3.386505
  N      -6.010905     -5.459804      4.091334
  Mo     -4.258654     -4.499892      4.049080
  N      -3.014087     -5.148635      5.486921
  C      -2.434434     -6.487612      5.339796
  C      -3.212915     -7.302241      4.314175
  H      -2.465857     -7.040731      6.295742
  H      -1.365812     -6.425093      5.058141
  H      -4.118282     -7.719373      4.775078
  H      -2.611815     -8.144810      3.928061
  H      -6.982519     -6.778847      2.721117
  H      -6.223400     -7.580800      4.096458
  H      -4.961374     -6.437935      1.564862
  H      -4.745141     -8.047052      2.297550
  H      -1.926766     -4.585718      0.930875
  H      -3.632124     -5.006749      0.759707
  H      -1.646634     -6.000380      2.873741
  H      -2.368898     -6.979083      1.569010
  C      -3.247706     -0.695194      0.206084
  C      -3.084397     -2.176749      0.543270
  C      -3.804583     -2.607502      1.833633
  C      -5.344581     -2.860040      1.698450
  N      -6.238815     -1.855898      2.239941
  C      -6.456352     -0.661450      1.537542
  C      -6.869661     -0.682430      0.191643
  C      -7.114695      0.514086     -0.477005
  C      -6.976326      1.746256      0.165118
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  S      -6.400783      3.279441      2.420978
  C      -6.324047      0.572701      2.189804
  C      -9.247430     -5.891507      6.231349
  C      -8.124132     -6.288334      5.272279
  C      -7.180330     -5.115138      4.952101
  C      -7.950290     -3.887882      4.400905
  N      -8.029264     -2.838344      5.428153
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  C      -9.187633     -1.184827      4.023744
  C      -9.425720      0.156242      3.727461
  C      -8.765894      1.184776      4.399914
  C      -7.816221      0.850910      5.376024
  S      -6.851790      2.078547      6.220664
  C      -7.550831     -0.487442      5.675485
  C      -0.545912     -5.616586      7.886032
  C      -1.120982     -4.466815      7.054142
  C      -2.637073     -4.447360      6.737863
  C      -3.502296     -4.882473      7.961046
  N      -4.902879     -5.000602      7.492527
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  C      -7.229712     -8.251777      8.893982
  C      -7.468945     -6.946172      9.346367
  S      -8.802910     -6.537217     10.435760
  C      -6.666559     -5.891915      8.889941
  H      -2.664801     -0.437531     -0.690124
  H      -2.888886     -0.065218      1.033937
  H      -4.294421     -0.425127      0.014109
  H      -2.011132     -2.390197      0.670146
  H      -3.428936     -2.794103     -0.302848
  H      -3.691753     -1.781611      2.557499
  H      -5.689725     -3.084062      0.676053
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  H      -6.050976     -1.672923      3.226393
  H      -6.999764     -1.634461     -0.323810
  H      -7.430502      0.490643     -1.521922
  H      -7.177784      2.674660     -0.370513
  H      -6.665141      4.104993      1.381966
  H      -6.036273      0.589246      3.242699
  H      -9.825914     -6.777665      6.529057
  H      -9.942576     -5.169900      5.780531
  H      -8.842177     -5.438573      7.147417
  H      -8.554975     -6.694198      4.342451
  H      -7.540269     -7.095489      5.739256
  H      -6.765114     -4.809572      5.926622
  H      -8.968206     -4.172368      4.086996
  H      -7.435846     -3.518230      3.499918
  H      -7.187247     -2.857968      6.005839
  H      -9.713790     -1.967462      3.477217
  H     -10.141710      0.409851      2.942991
  H      -8.958155      2.226759      4.144902
  H      -7.434724      3.150734      5.637496
  H      -6.800411     -0.771188      6.415422
  H      -0.741389     -6.606887      7.453910
  H      -0.945752     -5.616759      8.909793
  H       0.545575     -5.504861      7.964406
  H      -0.904252     -3.528150      7.589869
  H      -0.582248     -4.384267      6.096485
  H      -2.871178     -3.391653      6.548705
  H      -3.138194     -5.833315      8.389144
  H      -3.406170     -4.107483      8.739551
  H      -4.665321     -5.097629      6.491636
  H      -4.600979     -7.621655      6.810864
  H      -6.010817     -9.500800      7.636359
  H      -7.850305     -9.078564      9.242600
  H      -9.227726     -7.805382     10.639989
  H      -6.853986     -4.865879      9.212017
  N      -4.812440     -2.923453      5.063478
  N      -5.158990     -2.148296      5.841799
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.993257840602
  N      -3.199206     -3.810062      2.475001
  C      -2.841847     -4.854504      1.509451
  C      -2.558220     -6.145389      2.254244
  N      -3.671864     -6.444854      3.194327
  C      -4.880893     -6.966133      2.517456
  C      -6.110891     -6.737710      3.389226
  N      -6.012471     -5.459347      4.097651
  Mo     -4.258039     -4.506406      4.056757
  N      -3.015853     -5.167338      5.490454
  C      -2.443821     -6.508759      5.336416
  C      -3.229879     -7.314816      4.309761
  H      -2.474521     -7.064840      6.290766
  H      -1.375791     -6.450791      5.051304
  H      -4.138170     -7.724793      4.771211
  H      -2.636283     -8.161731      3.921561
  H      -6.996915     -6.769417      2.728132
  H      -6.233308     -7.579386      4.096837
  H      -4.977858     -6.423562      1.567388
  H      -4.765702     -8.040931      2.284415
  H      -1.938125     -4.591497      0.929772
  H      -3.643251     -5.013988      0.758568
  H      -1.655256     -6.015788      2.867137
  H      -2.386519     -6.990323      1.563798
  C      -3.209728     -0.682926      0.244228
  C      -3.055592     -2.168199      0.568983
  C      -3.795205     -2.608070      1.845360
  C      -5.336181     -2.837081      1.684569
  N      -6.218478     -1.822905      2.227939
  C      -6.442807     -0.631946      1.525643
  C      -6.834290     -0.652822      0.172792
  C      -7.083972      0.542667     -0.496009
  C      -6.971184      1.774690      0.150964
  C      -6.602721      1.796644      1.503742
  S      -6.447636      3.308564      2.418392
  C      -6.335921      0.602975      2.182601
  C      -9.229123     -5.874680      6.265924
  C      -8.116668     -6.276366      5.296306
  C      -7.176308     -5.105190      4.959036
  C      -7.953437     -3.888615      4.393616
  N      -8.041629     -2.830225      5.408686
  C      -8.292804     -1.516414      5.010933
  C      -9.213880     -1.197247      3.995977
  C      -9.464110      0.139539      3.690851
  C      -8.817881      1.178473      4.360551
  C      -7.869805      0.859891      5.343374
  S      -6.920432      2.101671      6.184233
  C      -7.594879     -0.473766      5.654104
  C      -0.513267     -5.628849      7.849976
  C      -1.109524     -4.476257      7.036719
  C      -2.629295     -4.471986      6.740993
  C      -3.476193     -4.925065      7.969312
  N      -4.881660     -5.034831      7.513699
  C      -5.625244     -6.148634      7.994570
  C      -5.398969     -7.462900      7.552635
  C      -6.199472     -8.506575      8.018544
  C      -7.232743     -8.264763      8.923825
  C      -7.459288     -6.957023      9.376451
  S      -8.786863     -6.535511     10.468826
  C      -6.648159     -5.910205      8.918254
  H      -2.614363     -0.418367     -0.641696
  H      -2.860282     -0.061865      1.082778
  H      -4.253149     -0.408100      0.040687
  H      -1.985051     -2.388191      0.707330
  H      -3.392798     -2.775297     -0.287505
  H      -3.683185     -1.791445      2.579681
  H      -5.668504     -3.036346      0.653307
  H      -5.520856     -3.814663      2.196059
  H      -6.039188     -1.646720      3.216835
  H      -6.945717     -1.603887     -0.348588
  H      -7.383511      0.517772     -1.545700
  H      -7.175461      2.702149     -0.385181
  H      -6.703234      4.132703      1.376052
  H      -6.063819      0.621007      3.239614
  H      -9.807089     -6.758550      6.571308
  H      -9.926538     -5.151599      5.820808
  H      -8.813419     -5.421232      7.177087
  H      -8.558398     -6.685417      4.372977
  H      -7.527681     -7.081815      5.759881
  H      -6.757416     -4.787631      5.928569
  H      -8.970068     -4.189259      4.089403
  H      -7.447179     -3.523921      3.485399
  H      -7.212048     -2.846404      6.003657
  H      -9.729089     -1.988969      3.452113
  H     -10.178589      0.381433      2.901328
  H      -9.017465      2.216933      4.097059
  H      -7.493271      3.163720      5.573058
  H      -6.843596     -0.746286      6.397567
  H      -0.704292     -6.616172      7.409072
  H      -0.902533     -5.643805      8.877741
  H       0.577851     -5.507409      7.918162
  H      -0.895394     -3.540448      7.578398
  H      -0.584710     -4.380107      6.072619
  H      -2.881636     -3.418307      6.564300
  H      -3.108639     -5.881384      8.382673
  H      -3.370323     -4.159527      8.755923
  H      -4.654807     -5.138060      6.510811
  H      -4.596436     -7.660878      6.842280
  H      -6.025075     -9.525716      7.667264
  H      -7.861603     -9.085512      9.271941
  H      -9.226765     -7.799062     10.669616
  H      -6.826144     -4.882278      9.239727
  N      -4.799229     -2.923204      5.068623
  N      -5.138742     -2.134106      5.835679
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7183.997179773331
  N      -3.208689     -3.822144      2.477112
  C      -2.850643     -4.861460      1.506874
  C      -2.567601     -6.155149      2.248297
  N      -3.680663     -6.450815      3.190186
  C      -4.894462     -6.961130      2.511979
  C      -6.120683     -6.733877      3.389332
  N      -6.013290     -5.458929      4.102451
  Mo     -4.255882     -4.513483      4.064214
  N      -3.016388     -5.187566      5.493275
  C      -2.451119     -6.531111      5.331156
  C      -3.244706     -7.328096      4.302877
  H      -2.481062     -7.090974      6.283400
  H      -1.383791     -6.476936      5.042487
  H      -4.155916     -7.730945      4.764765
  H      -2.658588     -8.179050      3.912168
  H      -7.009661     -6.759356      2.731922
  H      -6.242739     -7.578323      4.093755
  H      -4.992498     -6.408070      1.568183
  H      -4.784764     -8.034070      2.268084
  H      -1.947553     -4.594629      0.928299
  H      -3.652353     -5.018510      0.755699
  H      -1.662382     -6.029800      2.858648
  H      -2.402032     -6.999605      1.555815
  C      -3.172662     -0.669712      0.281936
  C      -3.026364     -2.158123      0.595256
  C      -3.785977     -2.607110      1.856760
  C      -5.327276     -2.813461      1.670320
  N      -6.198368     -1.789514      2.214858
  C      -6.430328     -0.602038      1.512729
  C      -6.802662     -0.622557      0.154067
  C      -7.059464      0.571773     -0.514176
  C      -6.972208      1.803220      0.137390
  C      -6.621776      1.825030      1.495110
  S      -6.497814      3.336856      2.415206
  C      -6.348450      0.633235      2.174077
  C      -9.211360     -5.860608      6.296626
  C      -8.108663     -6.266569      5.317703
  C      -7.172997     -5.096823      4.963938
  C      -7.957034     -3.890421      4.385060
  N      -8.051145     -2.823005      5.387739
  C      -8.315742     -1.514483      4.987126
  C      -9.235765     -1.209340      3.966531
  C      -9.498548      0.123362      3.654441
  C      -8.866902      1.171915      4.323215
  C      -7.920914      0.867548      5.312664
  S      -6.988911      2.122455      6.153401
  C      -7.635586     -0.461636      5.632323
  C      -0.483940     -5.645186      7.816884
  C      -1.098818     -4.489342      7.021998
  C      -2.621377     -4.498374      6.743962
  C      -3.452110     -4.968536      7.975458
  N      -4.861869     -5.069779      7.531561
  C      -5.610836     -6.175676      8.023101
  C      -5.394625     -7.494294      7.588684
  C      -6.204661     -8.528525      8.059131
  C      -7.236169     -8.273345      8.962882
  C      -7.450798     -6.961739      9.409930
  S      -8.772127     -6.523592     10.503296
  C      -6.631415     -5.924019      8.945619
  H      -2.564142     -0.398444     -0.592943
  H      -2.834541     -0.056575      1.130897
  H      -4.212582     -0.391355      0.065373
  H      -1.958653     -2.383473      0.746526
  H      -3.354524     -2.755873     -0.271301
  H      -3.675459     -1.800258      2.601919
  H      -5.645097     -2.989014      0.630682
  H      -5.541719     -3.790503      2.168752
  H      -6.026762     -1.619006      3.205797
  H      -6.895765     -1.572354     -0.372996
  H      -7.344795      0.545632     -1.567813
  H      -7.181429      2.729642     -0.398579
  H      -6.748260      4.159967      1.370794
  H      -6.089235      0.652499      3.234345
  H      -9.788776     -6.742373      6.609045
  H      -9.910784     -5.136477      5.856208
  H      -8.786735     -5.406411      7.203342
  H      -8.560468     -6.679194      4.400818
  H      -7.514342     -7.070085      5.777977
  H      -6.750245     -4.766705      5.927924
  H      -8.972258     -4.203948      4.088364
  H      -7.455595     -3.531735      3.471281
  H      -7.232963     -2.835790      5.997806
  H      -9.739493     -2.009431      3.424163
  H     -10.211354      0.354444      2.860183
  H      -9.074675      2.207074      4.053170
  H      -7.551735      3.175061      5.516972
  H      -6.883807     -0.722796      6.379617
  H      -0.670467     -6.629083      7.366432
  H      -0.864039     -5.675147      8.847794
  H       0.606611     -5.514714      7.876783
  H      -0.887195     -3.556863      7.570285
  H      -0.586383     -4.380163      6.052634
  H      -2.890005     -3.446747      6.579417
  H      -3.082155     -5.930720      8.373547
  H      -3.336999     -4.213344      8.770754
  H      -4.645629     -5.182422      6.527078
  H      -4.592683     -7.703713      6.880550
  H      -6.039123     -9.550860      7.712881
  H      -7.872616     -9.086865      9.314210
  H      -9.226726     -7.781640     10.705792
  H      -6.800388     -4.893036      9.262151
  N      -4.784988     -2.923589      5.072927
  N      -5.117370     -2.119692      5.827603
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7184.001503722228
  N      -3.217875     -3.834828      2.479532
  C      -2.859812     -4.868989      1.505326
  C      -2.577656     -6.164877      2.243913
  N      -3.690819     -6.456259      3.186075
  C      -4.908943     -6.953535      2.505552
  C      -6.131234     -6.727826      3.388293
  N      -6.014429     -5.457308      4.106483
  Mo     -4.253739     -4.521145      4.070629
  N      -3.018242     -5.207640      5.495538
  C      -2.461540     -6.553546      5.326265
  C      -3.263259     -7.340636      4.296519
  H      -2.491839     -7.116706      6.276630
  H      -1.394791     -6.504653      5.034345
  H      -4.178214     -7.734670      4.758495
  H      -2.685698     -8.196636      3.904121
  H      -7.023077     -6.746394      2.734510
  H      -6.253242     -7.575422      4.088989
  H      -5.007124     -6.388902      1.568752
  H      -4.805537     -8.024287      2.249708
  H      -1.957333     -4.598773      0.927719
  H      -3.661950     -5.023765      0.754035
  H      -1.670732     -6.043605      2.852443
  H      -2.417734     -7.008993      1.549744
  C      -3.134761     -0.657754      0.321717
  C      -2.996242     -2.149207      0.623346
  C      -3.776327     -2.607410      1.869103
  C      -5.317091     -2.791106      1.656312
  N      -6.177122     -1.757725      2.202153
  C      -6.417278     -0.573565      1.500720
  C      -6.770764     -0.592803      0.136614
  C      -7.035185      0.600540     -0.530477
  C      -6.973589      1.830718      0.125940
  C      -6.640814      1.851506      1.488260
  S      -6.547967      3.362360      2.414127
  C      -6.360540      0.661381      2.166722
  C      -9.190388     -5.845632      6.330434
  C      -8.098826     -6.255688      5.340771
  C      -7.168720     -5.087361      4.969159
  C      -7.960806     -3.891896      4.377571
  N      -8.060477     -2.815446      5.367517
  C      -8.338244     -1.512577      4.963390
  C      -9.258084     -1.221845      3.938063
  C      -9.533194      0.106462      3.618294
  C      -8.915047      1.164690      4.284468
  C      -7.970293      0.874858      5.279505
  S      -7.054101      2.142951      6.117732
  C      -7.674815     -0.449579      5.608793
  C      -0.456777     -5.658036      7.783670
  C      -1.090495     -4.500095      7.006495
  C      -2.615388     -4.523672      6.745492
  C      -3.429967     -5.010703      7.979552
  N      -4.843599     -5.104633      7.546937
  C      -5.596721     -6.203226      8.049240
  C      -5.389257     -7.525955      7.622659
  C      -6.207757     -8.551341      8.097758
  C      -7.237614     -8.283652      8.999883
  C      -7.441494     -6.968443      9.441158
  S      -8.756562     -6.514757     10.535620
  C      -6.615036     -5.939209      8.970502
  H      -2.512757     -0.379791     -0.541478
  H      -2.808649     -0.052701      1.181104
  H      -4.170853     -0.375789      0.091651
  H      -1.931645     -2.379987      0.787996
  H      -3.314681     -2.737403     -0.253348
  H      -3.668093     -1.810543      2.625149
  H      -5.619812     -2.943147      0.608949
  H      -5.561360     -3.766695      2.141402
  H      -6.012883     -1.592898      3.194984
  H      -6.845417     -1.540831     -0.396337
  H      -7.306549      0.573824     -1.587799
  H      -7.188091      2.756260     -0.409380
  H      -6.792982      4.185083      1.368126
  H      -6.113833      0.681259      3.229998
  H      -9.766546     -6.725383      6.650713
  H      -9.892520     -5.120608      5.895658
  H      -8.755740     -5.390562      7.232028
  H      -8.561880     -6.671916      4.431114
  H      -7.498469     -7.057198      5.796849
  H      -6.740990     -4.744347      5.926739
  H      -8.974627     -4.218756      4.089679
  H      -7.465117     -3.539284      3.457812
  H      -7.253801     -2.824979      5.992204
  H      -9.751249     -2.030395      3.398544
  H     -10.245042      0.326400      2.820035
  H      -9.130777      2.196316      4.007292
  H      -7.604671      3.185459      5.454421
  H      -6.921804     -0.698992      6.358980
  H      -0.638260     -6.638706      7.324166
  H      -0.827880     -5.702555      8.817366
  H       0.632949     -5.517822      7.835669
  H      -0.882018     -3.570592      7.560912
  H      -0.590352     -4.378274      6.032231
  H      -2.900789     -3.474696      6.592558
  H      -3.057437     -5.978187      8.362898
  H      -3.306222     -4.265496      8.782958
  H      -4.638066     -5.226704      6.540905
  H      -4.587763     -7.746140      6.916897
  H      -6.050103     -9.576669      7.756745
  H      -7.880786     -9.090411      9.354555
  H      -9.224839     -7.767465     10.739876
  H      -6.775913     -4.905387      9.281966
  N      -4.770090     -2.924089      5.075245
  N      -5.094907     -2.104473      5.816098
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7184.001553354732
  N      -3.219602     -3.836144      2.482347
  C      -2.862645     -4.868421      1.506219
  C      -2.579192     -6.165694      2.242055
  N      -3.688969     -6.458639      3.187638
  C      -4.907893     -6.958967      2.510773
  C      -6.129840     -6.732229      3.393181
  N      -6.014317     -5.460412      4.108595
  Mo     -4.252566     -4.525355      4.072825
  N      -3.016079     -5.211877      5.496748
  C      -2.452041     -6.553447      5.322301
  C      -3.255543     -7.342098      4.296078
  H      -2.474676     -7.118530      6.271733
  H      -1.387089     -6.498132      5.024975
  H      -4.167711     -7.738659      4.761395
  H      -2.676947     -8.196300      3.901271
  H      -7.021260     -6.751855      2.738813
  H      -6.252222     -7.578826      4.095041
  H      -5.007872     -6.397796      1.572093
  H      -4.803503     -8.030494      2.258580
  H      -1.960701     -4.596828      0.928428
  H      -3.665348     -5.021907      0.755292
  H      -1.669864     -6.046304      2.847381
  H      -2.422550     -7.008650      1.545729
  C      -3.147200     -0.655963      0.326551
  C      -2.996798     -2.145485      0.631801
  C      -3.778623     -2.608419      1.874732
  C      -5.318061     -2.794954      1.657265
  N      -6.180554     -1.763447      2.202872
  C      -6.419731     -0.577779      1.503792
  C      -6.766795     -0.593597      0.137969
  C      -7.030996      0.601132     -0.526771
  C      -6.976041      1.829439      0.133689
  C      -6.650198      1.846785      1.497771
  S      -6.567096      3.354916      2.429016
  C      -6.369853      0.655394      2.173917
  C      -9.220064     -5.832629      6.291717
  C      -8.112180     -6.250002      5.323556
  C      -7.174898     -5.084893      4.961146
  C      -7.958735     -3.887184      4.361839
  N      -8.061086     -2.809742      5.350578
  C      -8.333517     -1.505349      4.947205
  C      -9.245553     -1.210842      3.915926
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  N      -4.841153     -5.111654      7.550369
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  C      -6.599197     -5.943323      8.992401
  H      -2.523625     -0.374232     -0.534326
  H      -2.830642     -0.046172      1.186175
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  H      -6.836222     -1.540057     -0.398501
  H      -7.297027      0.576890     -1.585537
  H      -7.190605      2.756074     -0.399750
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  H      -9.802401     -6.709704      6.608232
  H      -9.914001     -5.110086      5.839907
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  H      -8.560497     -6.670836      4.408623
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  H      -6.754530     -4.742256      5.922011
  H      -8.971611     -4.209957      4.066416
  H      -7.453663     -3.537835      3.446144
  H      -7.257866     -2.822121      5.979410
  H      -9.736662     -2.017556      3.371785
  H     -10.220336      0.341378      2.792712
  H      -9.109530      2.206965      3.990116
  H      -7.640882      3.193810      5.498550
  H      -6.923166     -0.697058      6.353734
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  H       0.637890     -5.514468      7.832745
  H      -0.884318     -3.572246      7.564956
  H      -0.590648     -4.373695      6.033252
  H      -2.903689     -3.480485      6.596503
  H      -3.053876     -5.990127      8.359088
  H      -3.301097     -4.279124      8.787035
  H      -4.637878     -5.235312      6.543533
  H      -4.605961     -7.752283      6.907141
  H      -6.063010     -9.579715      7.762337
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  H      -9.185697     -7.768796     10.798831
  H      -6.751497     -4.909910      9.309502
  N      -4.769087     -2.928968      5.076998
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103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7184.001668923106
  N      -3.216625     -3.831848      2.483523
  C      -2.859235     -4.860852      1.504749
  C      -2.577553     -6.160631      2.235311
  N      -3.684796     -6.455240      3.183095
  C      -4.903580     -6.958984      2.509311
  C      -6.125574     -6.731654      3.390972
  N      -6.013349     -5.458398      4.103546
  Mo     -4.249939     -4.525659      4.070969
  N      -3.015049     -5.214032      5.494721
  C      -2.440799     -6.549505      5.311927
  C      -3.245520     -7.339135      4.288318
  H      -2.454056     -7.118498      6.259141
  H      -1.378144     -6.484992      5.008353
  H      -4.154816     -7.739246      4.756212
  H      -2.665283     -8.190642      3.890114
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  H      -5.005057     -6.402665      1.567878
  H      -4.797606     -8.031536      2.262301
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  H      -2.425556     -7.001260      1.535218
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  C      -3.774807     -2.605336      1.875980
  C      -5.311677     -2.796849      1.650273
  N      -6.178369     -1.765002      2.188486
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  C      -6.360383      0.655145      2.146187
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  H      -2.522123     -0.371193     -0.534868
  H      -2.851444     -0.035170      1.179931
  H      -4.189392     -0.396296      0.072882
  H      -1.920066     -2.347042      0.820626
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  H      -5.554799     -3.772133      2.133859
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  H      -6.824698     -1.553048     -0.415417
  H      -7.269648      0.558536     -1.617202
  H      -7.154260      2.744604     -0.445102
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  H      -6.127864      0.677681      3.212569
  H      -9.812806     -6.711465      6.581844
  H      -9.925357     -5.119072      5.798805
  H      -8.823993     -5.361953      7.168540
  H      -8.549298     -6.679422      4.392254
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  H      -6.757081     -4.745666      5.915859
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  H      -7.453032     -3.533291      3.445447
  H      -7.250166     -2.827739      5.975803
  H      -9.742795     -2.011351      3.385960
  H     -10.239882      0.350748      2.830734
  H      -9.134709      2.210078      4.042485
  H      -7.744935      3.187866      5.643382
  H      -6.924308     -0.704842      6.369267
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  H      -0.830689     -5.720267      8.813628
  H       0.632807     -5.511150      7.840877
  H      -0.896876     -3.575327      7.578089
  H      -0.594241     -4.366308      6.042599
  H      -2.912069     -3.485693      6.600512
  H      -3.065379     -6.006579      8.347406
  H      -3.307278     -4.298415      8.789575
  H      -4.646783     -5.240982      6.538417
  H      -4.667822     -7.749519      6.863279
  H      -6.121719     -9.569316      7.738909
  H      -7.871658     -9.080469      9.423812
  H      -9.126381     -7.761769     10.893190
  H      -6.715954     -4.908879      9.351818
  N      -4.766407     -2.928435      5.073634
  N      -5.089520     -2.104157      5.811689
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7184.001852830536
  N      -3.214381     -3.825800      2.486652
  C      -2.857439     -4.850578      1.503016
  C      -2.577195     -6.154974      2.226501
  N      -3.681477     -6.452243      3.177566
  C      -4.901354     -6.958190      2.506709
  C      -6.122711     -6.731043      3.389450
  N      -6.012735     -5.455823      4.099099
  Mo     -4.246754     -4.527024      4.069771
  N      -3.014484     -5.219948      5.493357
  C      -2.431728     -6.550045      5.301800
  C      -3.236972     -7.338569      4.278668
  H      -2.437467     -7.124162      6.245978
  H      -1.370907     -6.477396      4.993474
  H      -4.144117     -7.742179      4.747801
  H      -2.655643     -8.187461      3.876245
  H      -7.013438     -6.755662      2.734326
  H      -6.243250     -7.576118      4.093772
  H      -5.004973     -6.405473      1.563268
  H      -4.794185     -8.031557      2.263580
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  H      -1.662214     -6.046819      2.825351
  H      -2.431291     -6.992279      1.521121
  C      -3.145864     -0.640948      0.333836
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  C      -3.770838     -2.597178      1.883579
  C      -5.304923     -2.793581      1.644619
  N      -6.181604     -1.765643      2.175630
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  C      -6.570711     -5.948358      9.045156
  H      -2.506256     -0.353368     -0.513299
  H      -2.864354     -0.017421      1.195789
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  H      -1.905996     -2.320815      0.853054
  H      -3.247149     -2.730512     -0.224010
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  H      -6.788492     -1.557138     -0.437176
  H      -7.239151      0.549974     -1.643878
  H      -7.167673      2.736301     -0.468275
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  H      -6.190468      0.676418      3.206623
  H      -9.784028     -6.708440      6.623308
  H      -9.916397     -5.126622      5.822030
  H      -8.798186     -5.343345      7.181851
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  H      -6.744786     -4.740181      5.913024
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  H      -7.241148     -2.821050      5.968255
  H      -9.728600     -2.004303      3.374733
  H     -10.212367      0.358151      2.808496
  H      -9.103757      2.217245      4.017012
  H      -7.770943      3.190309      5.688838
  H      -6.918815     -0.698441      6.367764
  H      -0.622894     -6.645490      7.307662
  H      -0.845652     -5.743054      8.816976
  H       0.623527     -5.514846      7.857038
  H      -0.914659     -3.586433      7.600556
  H      -0.599322     -4.362280      6.059730
  H      -2.923524     -3.497642      6.610533
  H      -3.081500     -6.035183      8.332902
  H      -3.317900     -4.331677      8.795852
  H      -4.659317     -5.254372      6.532326
  H      -4.751757     -7.747587      6.797255
  H      -6.208874     -9.559520      7.683691
  H      -7.891396     -9.076314      9.437529
  H      -9.065453     -7.770301     10.981642
  H      -6.672789     -4.921901      9.402425
  N      -4.762501     -2.932796      5.074409
  N      -5.084430     -2.109509      5.814779
103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca E -7184.002222756434
  N      -3.213435     -3.820521      2.491718
  C      -2.855868     -4.841365      1.504062
  C      -2.576951     -6.149357      2.221490
  N      -3.680063     -6.448961      3.173448
  C      -4.900272     -6.954551      2.502490
  C      -6.122114     -6.728312      3.385134
  N      -6.013578     -5.453332      4.095459
  Mo     -4.245114     -4.528186      4.071005
  N      -3.015244     -5.225920      5.493836
  C      -2.428534     -6.553088      5.295818
  C      -3.233891     -7.338942      4.271077
  H      -2.430205     -7.131676      6.237235
  H      -1.368762     -6.475859      4.984800
  H      -4.140529     -7.744459      4.739478
  H      -2.652447     -8.186263      3.865363
  H      -7.012234     -6.752965      2.729115
  H      -6.242885     -7.574200      4.088587
  H      -5.003965     -6.402576      1.558526
  H      -4.792779     -8.028107      2.260215
  H      -1.950737     -4.563314      0.934210
  H      -3.655716     -4.982770      0.747678
  H      -1.660074     -6.046570      2.818354
  H      -2.435207     -6.983599      1.511659
  C      -3.138887     -0.626456      0.352008
  C      -2.959504     -2.108868      0.674122
  C      -3.768562     -2.589809      1.892797
  C      -5.299780     -2.790617      1.641102
  N      -6.185341     -1.765625      2.163716
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  S      -6.669992      3.350059      2.337898
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  C      -9.212630     -5.826882      6.286251
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  C      -7.963220     -3.881070      4.356209
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  H      -2.489315     -0.334003     -0.485863
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  H      -6.245217      0.678783      3.190724
  H      -9.780191     -6.704534      6.627220
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  H     -10.190116      0.375686      2.799558
  H      -9.084675      2.228786      4.019611
  H      -7.788351      3.189669      5.743224
  H      -6.918650     -0.698167      6.374126
  H      -0.619693     -6.650732      7.304589
  H      -0.856717     -5.761200      8.819418
  H       0.616719     -5.517039      7.869920
  H      -0.928838     -3.595482      7.617982
  H      -0.603859     -4.359487      6.073080
  H      -2.933030     -3.508147      6.618852
  H      -3.091737     -6.057338      8.323119
  H      -3.324610     -4.357616      8.801791
  H      -4.669127     -5.268283      6.530116
  H      -4.828912     -7.743091      6.740678
  H      -6.281131     -9.550811      7.644126
  H      -7.892464     -9.077684      9.466183
  H      -8.989505     -7.786849     11.076532
  H      -6.618958     -4.939462      9.460824
  N      -4.759714     -2.935593      5.077545
  N      -5.079864     -2.112026      5.818278
