102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7128.933581497031
  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
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7128.998296866775
  N      -2.934577     -3.754364      2.259020
  C      -2.531005     -4.864400      1.392030
  C      -2.262012     -6.126832      2.207906
  N      -3.395984     -6.429824      3.094983
  C      -4.542442     -7.030080      2.405119
  C      -5.869218     -6.766298      3.160892
  N      -5.915232     -5.475135      3.845335
  Mo     -4.103640     -4.539727      3.841436
  N      -2.923368     -5.016129      5.356049
  C      -2.276636     -6.327853      5.311665
  C      -2.954588     -7.226281      4.254564
  H      -2.350133     -6.840117      6.282118
  H      -1.204493     -6.222128      5.081611
  H      -3.855328     -7.672932      4.691745
  H      -2.277119     -8.037951      3.955462
  H      -6.688909     -6.845693      2.418707
  H      -6.037676     -7.588672      3.881704
  H      -4.615461     -6.565987      1.414919
  H      -4.420501     -8.113207      2.261451
  H      -1.616958     -4.621409      0.829478
  H      -3.321408     -5.071943      0.643328
  H      -1.404046     -5.914451      2.852838
  H      -2.023052     -6.968407      1.543323
  C      -3.751680     -1.063954     -0.358819
  C      -3.293045     -2.434367      0.132886
  C      -3.774609     -2.782017      1.564078
  C      -5.200563     -3.366085      1.694041
  N      -6.242087     -2.507389      2.217253
  C      -6.588531     -1.258300      1.617617
  C      -7.268183     -1.182584      0.394917
  C      -7.653687      0.044487     -0.128895
  C      -7.384349      1.220681      0.554818
  C      -6.721904      1.160130      1.783914
  S      -6.353930      2.596686      2.724388
  C      -6.321941     -0.073479      2.307453
  C      -9.347710     -5.941701      5.699725
  C      -8.117753     -6.341446      4.876254
  C      -7.143647     -5.187578      4.657992
  C      -7.708764     -3.862073      4.194683
  N      -7.546120     -2.942929      5.346246
  C      -7.731311     -1.573364      5.343998
  C      -8.593465     -0.876184      4.484200
  C      -8.853120      0.473476      4.676264
  C      -8.246712      1.180899      5.702457
  C      -7.345875      0.517304      6.543406
  S      -6.497721      1.342205      7.843336
  C      -7.087239     -0.838725      6.359270
  C      -1.217997     -5.340644      8.411952
  C      -1.355109     -4.303236      7.295283
  C      -2.708379     -4.179420      6.537005
  C      -3.920404     -4.305748      7.520190
  N      -5.180009     -4.465158      6.780740
  C      -5.978409     -5.523113      7.348839
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  C      -6.347129     -7.858026      7.865548
  C      -7.353887     -7.522415      8.756188
  C      -7.700157     -6.176740      8.934053
  S      -8.965215     -5.645937     10.007465
  C      -7.006336     -5.192829      8.225932
  H      -3.342235     -0.871388     -1.350229
  H      -3.411012     -0.279514      0.321248
  H      -4.841020     -1.014275     -0.413672
  H      -2.198448     -2.453605      0.144154
  H      -3.637779     -3.202162     -0.569312
  H      -3.701551     -1.832070      2.129918
  H      -5.549838     -3.839050      0.743761
  H      -4.989553     -4.179941      2.436551
  H      -5.851639     -2.234829      3.122184
  H      -7.478757     -2.112511     -0.126088
  H      -8.168593      0.078601     -1.081076
  H      -7.687859      2.174194      0.140234
  H      -6.848202      3.497472      1.862242
  H      -5.803964     -0.099608      3.270377
  H      -9.946069     -6.820155      5.935862
  H      -9.972141     -5.238607      5.144789
  H      -9.046808     -5.452687      6.632511
  H      -8.469016     -6.740630      3.912979
  H      -7.606957     -7.162238      5.394480
  H      -6.692933     -4.875801      5.585255
  H      -8.708361     -3.822501      3.720679
  H      -6.888310     -3.602859      3.546362
  H      -6.600701     -3.252638      5.563635
  H      -9.072116     -1.425579      3.675530
  H      -9.546952      0.974981      4.013317
  H      -8.469204      2.229475      5.850932
  H      -7.136483      2.517258      7.758312
  H      -6.402768     -1.369058      7.038497
  H      -1.444797     -6.352444      8.076881
  H      -1.862704     -5.094875      9.255837
  H      -0.185538     -5.324234      8.763338
  H      -1.165251     -3.316449      7.728990
  H      -0.584285     -4.467599      6.534831
  H      -2.724837     -3.135870      6.155340
  H      -3.759009     -5.173613      8.171440
  H      -3.970086     -3.409746      8.163932
  H      -4.721968     -4.791521      5.889814
  H      -4.851776     -7.129826      6.479637
  H      -6.077398     -8.898291      7.728823
  H      -7.861405     -8.297188      9.318094
  H      -9.254390     -6.842356     10.542666
  H      -7.239104     -4.137014      8.363782
  N      -4.918917     -3.040573      5.005754
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.051140926048
  N      -2.938669     -3.754128      2.255111
  C      -2.530397     -4.871897      1.386536
  C      -2.264475     -6.133353      2.205447
  N      -3.406819     -6.437756      3.094016
  C      -4.559577     -7.043122      2.402854
  C      -5.883872     -6.780443      3.161186
  N      -5.924805     -5.482646      3.840811
  Mo     -4.115217     -4.531257      3.832823
  N      -2.937279     -5.012985      5.356436
  C      -2.292371     -6.329470      5.315723
  C      -2.968945     -7.231483      4.262394
  H      -2.369803     -6.840665      6.288032
  H      -1.217157     -6.225697      5.089139
  H      -3.872513     -7.675888      4.699579
  H      -2.291363     -8.047205      3.966083
  H      -6.705063     -6.865066      2.422223
  H      -6.048431     -7.601154      3.885701
  H      -4.630333     -6.583149      1.409141
  H      -4.434615     -8.128842      2.263839
  H      -1.609867     -4.633156      0.827694
  H      -3.314852     -5.081180      0.631690
  H      -1.407196     -5.920733      2.855975
  H      -2.021701     -6.979563      1.543871
  C      -3.707795     -1.053243     -0.372514
  C      -3.266631     -2.429895      0.124377
  C      -3.767120     -2.771829      1.548398
  C      -5.205025     -3.337982      1.657393
  N      -6.249147     -2.465626      2.164212
  C      -6.580379     -1.224589      1.557585
  C      -7.223541     -1.160853      0.311901
  C      -7.599171      0.066092     -0.225552
  C      -7.357428      1.250111      0.467054
  C      -6.733337      1.195301      1.720589
  S      -6.404420      2.637577      2.675330
  C      -6.342915     -0.037777      2.257656
  C      -9.340479     -5.951631      5.734458
  C      -8.122203     -6.347145      4.887999
  C      -7.154705     -5.190295      4.666044
  C      -7.742757     -3.848557      4.221481
  N      -7.567284     -2.927390      5.385219
  C      -7.760243     -1.564590      5.376401
  C      -8.622645     -0.867302      4.514561
  C      -8.873825      0.486975      4.711949
  C      -8.257560      1.192554      5.741497
  C      -7.354522      0.520435      6.581143
  S      -6.491712      1.339778      7.882616
  C      -7.104047     -0.837876      6.394662
  C      -1.215270     -5.338681      8.401327
  C      -1.363828     -4.294493      7.290049
  C      -2.721494     -4.171662      6.545568
  C      -3.921195     -4.311004      7.547430
  N      -5.189015     -4.486219      6.824489
  C      -5.967199     -5.553680      7.391753
  C      -5.639450     -6.902694      7.188624
  C      -6.319204     -7.899207      7.887913
  C      -7.331043     -7.575229      8.785830
  C      -7.683136     -6.229743      8.974490
  S      -8.959247     -5.708253     10.049226
  C      -6.994905     -5.233627      8.276064
  H      -3.284447     -0.860654     -1.363216
  H      -3.367085     -0.268711      0.313058
  H      -4.798572     -0.989020     -0.441499
  H      -2.169455     -2.460404      0.148142
  H      -3.610197     -3.197018     -0.583942
  H      -3.695313     -1.826603      2.118658
  H      -5.550701     -3.804533      0.710838
  H      -5.014175     -4.161158      2.392015
  H      -5.883991     -2.189327      3.087221
  H      -7.414032     -2.093886     -0.217287
  H      -8.086268      0.097307     -1.197278
  H      -7.654534      2.204879      0.040356
  H      -6.877838      3.533517      1.789767
  H      -5.860788     -0.067671      3.238080
  H      -9.937720     -6.835794      5.973671
  H      -9.976593     -5.241936      5.194184
  H      -9.028947     -5.469614      6.672511
  H      -8.483301     -6.739510      3.923994
  H      -7.602821     -7.172411      5.394082
  H      -6.695147     -4.888318      5.596087
  H      -8.746730     -3.817690      3.768784
  H      -6.950261     -3.566685      3.549653
  H      -6.600082     -3.189002      5.621545
  H      -9.106587     -1.411950      3.703991
  H      -9.568314      0.997481      4.049076
  H      -8.473155      2.246772      5.892120
  H      -7.128678      2.521084      7.795887
  H      -6.417339     -1.377904      7.066673
  H      -1.442712     -6.353728      8.062703
  H      -1.856310     -5.101249      9.255315
  H      -0.177094     -5.324954      8.749938
  H      -1.172765     -3.306167      7.726754
  H      -0.594900     -4.453143      6.522020
  H      -2.745148     -3.133824      6.165845
  H      -3.737923     -5.183095      8.191286
  H      -3.976357     -3.418264      8.197108
  H      -4.739306     -4.789327      5.917323
  H      -4.831525     -7.150320      6.501328
  H      -6.044305     -8.941422      7.740661
  H      -7.838393     -8.359502      9.342594
  H      -9.245135     -6.914763     10.573899
  H      -7.236610     -4.179498      8.421564
  N      -4.881447     -3.062657      4.894384
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.095065338513
  N      -2.945052     -3.756885      2.251531
  C      -2.536882     -4.881505      1.381807
  C      -2.273486     -6.143663      2.201634
  N      -3.419854     -6.448367      3.092229
  C      -4.577933     -7.054786      2.402127
  C      -5.897303     -6.789474      3.163793
  N      -5.930457     -5.486925      3.838538
  Mo     -4.125043     -4.522798      3.826434
  N      -2.945931     -5.011567      5.354231
  C      -2.305953     -6.332747      5.315404
  C      -2.984525     -7.238437      4.267060
  H      -2.385172     -6.841481      6.289690
  H      -1.229201     -6.232548      5.089399
  H      -3.890015     -7.679336      4.705552
  H      -2.308756     -8.058239      3.972942
  H      -6.720913     -6.876352      2.428785
  H      -6.059883     -7.607862      3.891629
  H      -4.646516     -6.598012      1.405898
  H      -4.452151     -8.142102      2.266622
  H      -1.612143     -4.647451      0.825383
  H      -3.317573     -5.090295      0.623091
  H      -1.416139     -5.933015      2.855261
  H      -2.029976     -6.993242      1.542480
  C      -3.664712     -1.043203     -0.381560
  C      -3.244379     -2.426269      0.118467
  C      -3.761512     -2.762746      1.535739
  C      -5.211787     -3.308201      1.627085
  N      -6.253871     -2.424728      2.123936
  C      -6.569983     -1.189189      1.509521
  C      -7.179002     -1.135107      0.244524
  C      -7.543227      0.090984     -0.305320
  C      -7.326130      1.280314      0.392358
  C      -6.739118      1.231215      1.665732
  S      -6.446093      2.679131      2.630163
  C      -6.358983      0.000002      2.216563
  C      -9.335971     -5.974321      5.745122
  C      -8.122168     -6.357782      4.885058
  C      -7.160957     -5.195317      4.669903
  C      -7.766412     -3.845064      4.243160
  N      -7.590182     -2.940739      5.423048
  C      -7.789131     -1.579610      5.415568
  C      -8.641710     -0.879269      4.544708
  C      -8.888310      0.477461      4.747373
  C      -8.277385      1.178520      5.786588
  C      -7.382972      0.498487      6.632879
  S      -6.524117      1.311843      7.946841
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  H      -3.229212     -0.851794     -1.370079
  H      -3.321162     -0.261166      0.308559
  H      -4.754995     -0.961780     -0.462755
  H      -2.146251     -2.470370      0.152438
  H      -3.589252     -3.190448     -0.595015
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  H      -5.040962     -4.140834      2.351894
  H      -5.910162     -2.150587      3.058812
  H      -7.352231     -2.069433     -0.290968
  H      -8.003541      0.119965     -1.292609
  H      -7.615597      2.234634     -0.045554
  H      -6.898089      3.568995      1.722723
  H      -5.911199     -0.032359      3.213019
  H      -9.930154     -6.865290      5.978671
  H      -9.980584     -5.259415      5.218087
  H      -9.023160     -5.503429      6.690616
  H      -8.485446     -6.741025      3.917209
  H      -7.596285     -7.187118      5.379532
  H      -6.701149     -4.904007      5.605571
  H      -8.771836     -3.820155      3.801421
  H      -6.993950     -3.537569      3.555707
  H      -6.614619     -3.167412      5.680774
  H      -9.120239     -1.416618      3.725409
  H      -9.574569      0.996675      4.078794
  H      -8.489112      2.235576      5.938537
  H      -7.159536      2.497231      7.852735
  H      -6.455638     -1.408398      7.117140
  H      -1.426218     -6.352722      8.042655
  H      -1.825463     -5.102876      9.245064
  H      -0.150713     -5.324801      8.718066
  H      -1.162494     -3.299200      7.707185
  H      -0.597611     -4.445741      6.493751
  H      -2.754804     -3.131861      6.165151
  H      -3.710027     -5.180606      8.208136
  H      -3.963054     -3.414883      8.217474
  H      -4.749109     -4.783102      5.944609
  H      -4.818049     -7.163589      6.538098
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  H      -7.837670     -8.371999      9.374611
  H      -9.254181     -6.923445     10.595581
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.127208915380
  N      -2.959719     -3.756162      2.253319
  C      -2.550657     -4.884904      1.382404
  C      -2.286823     -6.149948      2.200021
  N      -3.434511     -6.459947      3.090210
  C      -4.594240     -7.066640      2.400165
  C      -5.908880     -6.801407      3.165160
  N      -5.936974     -5.495887      3.836698
  Mo     -4.141467     -4.513006      3.824043
  N      -2.960440     -5.009824      5.354838
  C      -2.323930     -6.333956      5.315468
  C      -3.001643     -7.244670      4.270297
  H      -2.404092     -6.841014      6.291095
  H      -1.246220     -6.235347      5.090572
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  H      -2.325593     -8.066553      3.979107
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  H      -1.430326     -5.941233      2.856881
  H      -2.040330     -7.000193      1.541466
  C      -3.622102     -1.024335     -0.379338
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  C      -3.762132     -2.748710      1.529495
  C      -5.224807     -3.272227      1.599795
  N      -6.262244     -2.379507      2.090107
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  C      -7.396471      0.483384      6.651455
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  S      -8.970665     -5.731870     10.104793
  C      -6.971088     -5.257043      8.363641
  H      -3.172261     -0.832517     -1.363028
  H      -3.276868     -0.247433      0.317584
  H      -4.710499     -0.924683     -0.475037
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  H      -5.570751     -3.722893      0.653051
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  H      -5.939651     -2.112504      3.034534
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  H      -7.575465      2.271460     -0.121287
  H      -6.914394      3.609492      1.663589
  H      -5.961205      0.008601      3.190346
  H      -9.921395     -6.890439      5.991339
  H      -9.978768     -5.274241      5.250583
  H      -9.008322     -5.538508      6.712300
  H      -8.493273     -6.744721      3.915816
  H      -7.592620     -7.206930      5.366774
  H      -6.702382     -4.931104      5.615880
  H      -8.791106     -3.829680      3.840756
  H      -7.032899     -3.517994      3.561939
  H      -6.623555     -3.163509      5.731857
  H      -9.131835     -1.446896      3.748424
  H      -9.580229      0.970945      4.087407
  H      -8.496261      2.220124      5.940709
  H      -7.170638      2.493476      7.851883
  H      -6.471659     -1.422946      7.148716
  H      -1.405678     -6.352309      8.014966
  H      -1.786884     -5.109148      9.229978
  H      -0.120377     -5.324695      8.673509
  H      -1.155059     -3.293937      7.684342
  H      -0.607429     -4.436038      6.458684
  H      -2.774459     -3.130017      6.167418
  H      -3.684329     -5.180594      8.228724
  H      -3.951242     -3.414956      8.240919
  H      -4.764014     -4.780412      5.979656
  H      -4.806563     -7.180581      6.583524
  H      -6.026827     -8.975041      7.815519
  H      -7.838797     -8.391784      9.408524
  H      -9.268062     -6.946064     10.617932
  H      -7.218991     -4.203265      8.506460
  N      -4.795449     -3.145461      4.694631
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.148169051448
  N      -2.982920     -3.758266      2.256938
  C      -2.573675     -4.889062      1.385773
  C      -2.306364     -6.157968      2.199121
  N      -3.452329     -6.477071      3.087450
  C      -4.610974     -7.081937      2.396808
  C      -5.920548     -6.817328      3.164998
  N      -5.944255     -5.510311      3.833970
  Mo     -4.164987     -4.502710      3.823962
  N      -2.980427     -5.008920      5.356010
  C      -2.347343     -6.334762      5.315157
  C      -3.022426     -7.252476      4.273358
  H      -2.427256     -6.839567      6.292265
  H      -1.269163     -6.237293      5.091318
  H      -3.929437     -7.691648      4.711839
  H      -2.344573     -8.075679      3.987591
  H      -6.749607     -6.907934      2.438144
  H      -6.074975     -7.634209      3.895672
  H      -4.674531     -6.626465      1.398502
  H      -4.479171     -8.170106      2.261919
  H      -1.642887     -4.655927      0.837296
  H      -3.344187     -5.097071      0.616917
  H      -1.450774     -5.951587      2.858551
  H      -2.055236     -7.006693      1.539605
  C      -3.570930     -1.000167     -0.367674
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  C      -3.766117     -2.733626      1.526352
  C      -5.243275     -3.229485      1.571918
  N      -6.271650     -2.328013      2.061785
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  N      -7.604046     -3.000183      5.502316
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  C      -7.409433      0.468147      6.657270
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  S      -8.990363     -5.753460     10.133363
  C      -6.962103     -5.273510      8.420400
  H      -3.103038     -0.806916     -1.343285
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  H      -4.655623     -0.878255     -0.481041
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  H      -7.234749     -1.990148     -0.417624
  H      -7.834750      0.194700     -1.454579
  H      -7.531893      2.313762     -0.194815
  H      -6.931380      3.656127      1.605571
  H      -6.015410      0.058734      3.170126
  H      -9.916585     -6.911908      5.996137
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  H      -8.507208     -6.744135      3.907807
  H      -7.595804     -7.233600      5.343263
  H      -6.701364     -4.974135      5.628564
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  H      -6.631761     -3.177668      5.793203
  H      -9.135031     -1.501383      3.774453
  H      -9.580274      0.921186      4.078501
  H      -8.502072      2.196053      5.914201
  H      -7.182880      2.499469      7.819489
  H      -6.484435     -1.430376      7.183430
  H      -1.370264     -6.347873      7.973780
  H      -1.726111     -5.113737      9.203329
  H      -0.073867     -5.317565      8.603758
  H      -1.143425     -3.285983      7.646693
  H      -0.621371     -4.420793      6.405286
  H      -2.802679     -3.128582      6.167196
  H      -3.652044     -5.178384      8.255096
  H      -3.931870     -3.413318      8.264509
  H      -4.781380     -4.780498      6.025856
  H      -4.793734     -7.199680      6.644829
  H      -6.024149     -8.993001      7.866002
  H      -7.849092     -8.411144      9.443606
  H      -9.295753     -6.971999     10.634357
  H      -7.214025     -4.220443      8.560114
  N      -4.784273     -3.153010      4.627560
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.164258535079
  N      -3.010557     -3.764391      2.262073
  C      -2.601060     -4.894435      1.390637
  C      -2.327696     -6.166121      2.199210
  N      -3.469930     -6.496257      3.085651
  C      -4.625838     -7.098795      2.394574
  C      -5.930167     -6.835857      3.166137
  N      -5.950364     -5.528269      3.832406
  Mo     -4.190702     -4.493595      3.826551
  N      -3.001633     -5.008446      5.357932
  C      -2.371317     -6.334766      5.315879
  C      -3.042744     -7.259772      4.277880
  H      -2.449794     -6.837211      6.294572
  H      -1.292905     -6.237926      5.092749
  H      -3.949609     -7.699015      4.716750
  H      -2.361937     -8.083751      3.999364
  H      -6.762473     -6.927898      2.443763
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  H      -4.686934     -6.642375      1.396286
  H      -4.490760     -8.186894      2.257767
  H      -1.668722     -4.658795      0.845615
  H      -3.366371     -5.102767      0.616824
  H      -1.472462     -5.961408      2.859907
  H      -2.070847     -7.011916      1.537531
  C      -3.519235     -0.976749     -0.347400
  C      -3.184639     -2.385363      0.143983
  C      -3.771969     -2.721461      1.526997
  C      -5.263215     -3.187025      1.546811
  N      -6.279429     -2.277532      2.041521
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  C      -7.375616      0.211477     -0.492950
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  N      -7.604616     -3.038814      5.542629
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  H      -3.032712     -0.780841     -1.313523
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  H      -1.655049     -5.112435      9.170307
  H      -0.019895     -5.301010      8.523280
  H      -1.130275     -3.272981      7.601805
  H      -0.636253     -4.399252      6.344381
  H      -2.834121     -3.127233      6.165698
  H      -3.616044     -5.174379      8.283448
  H      -3.907576     -3.410035      8.285363
  H      -4.796456     -4.783142      6.075267
  H      -4.785526     -7.217231      6.701957
  H      -6.033472     -9.009365      7.904438
  H      -7.870006     -8.428586      9.466512
  H      -9.328852     -6.997181     10.642529
  H      -7.205511     -4.235431      8.617467
  N      -4.794851     -3.124845      4.588863
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.177461855650
  N      -3.038229     -3.779595      2.265165
  C      -2.627547     -4.906816      1.393436
  C      -2.345726     -6.178663      2.198686
  N      -3.482960     -6.519699      3.084719
  C      -4.636598     -7.120642      2.395063
  C      -5.935820     -6.858143      3.170643
  N      -5.952179     -5.549294      3.832162
  Mo     -4.212352     -4.489615      3.828971
  N      -3.017918     -5.009554      5.358224
  C      -2.390322     -6.335963      5.317569
  C      -3.058039     -7.268593      4.284696
  H      -2.466637     -6.835015      6.298519
  H      -1.311636     -6.240084      5.094422
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  H      -2.082560     -7.021156      1.534388
  C      -3.469453     -0.963690     -0.325470
  C      -3.164473     -2.381460      0.156983
  C      -3.776734     -2.719556      1.526713
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  C      -7.674148     -6.295564      9.169834
  S      -9.028319     -5.774321     10.179400
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  H      -2.965585     -0.764108     -1.282187
  H      -3.119719     -0.219460      0.405559
  H      -4.544905     -0.798758     -0.471731
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  H      -3.697461     -1.814052      2.153022
  H      -5.626089     -3.560280      0.555155
  H      -5.220018     -4.048995      2.189541
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  H      -7.125953     -1.897240     -0.507067
  H      -7.686506      0.286527     -1.557506
  H      -7.466963      2.400417     -0.278594
  H      -6.971199      3.739666      1.555643
  H      -6.105672      0.141702      3.151720
  H      -9.923997     -6.944787      5.991005
  H      -9.955312     -5.291998      5.340506
  H      -8.952923     -5.667800      6.755269
  H      -8.541667     -6.739967      3.886211
  H      -7.619246     -7.291905      5.292177
  H      -6.704534     -5.077798      5.661171
  H      -8.804662     -3.890345      3.974245
  H      -7.116550     -3.481352      3.590188
  H      -6.653070     -3.225047      5.910491
  H      -9.134218     -1.618422      3.806576
  H      -9.565379      0.813366      4.023473
  H      -8.498735      2.145070      5.820532
  H      -7.195167      2.511675      7.718202
  H      -6.514509     -1.445284      7.236146
  H      -1.275974     -6.316412      7.885869
  H      -1.582496     -5.094953      9.136292
  H       0.036231     -5.268888      8.446291
  H      -1.114900     -3.250530      7.551531
  H      -0.646002     -4.372039      6.283350
  H      -2.860414     -3.125331      6.157304
  H      -3.578460     -5.162893      8.308919
  H      -3.878650     -3.398796      8.295007
  H      -4.803165     -4.786969      6.117260
  H      -4.784489     -7.226452      6.742296
  H      -6.057952     -9.015669      7.922004
  H      -7.901524     -8.430421      9.472983
  H      -9.360284     -7.001854     10.642012
  H      -7.189297     -4.236184      8.667817
  N      -4.806329     -3.091846      4.554508
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.188190330244
  N      -3.066352     -3.802271      2.266952
  C      -2.653113     -4.925183      1.395127
  C      -2.361435     -6.194227      2.199306
  N      -3.493462     -6.544190      3.085713
  C      -4.645506     -7.144117      2.398270
  C      -5.940492     -6.881147      3.177284
  N      -5.953518     -5.570295      3.832529
  Mo     -4.231788     -4.489357      3.831827
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  C      -2.407366     -6.336929      5.321691
  C      -3.071325     -7.276944      4.294478
  H      -2.481655     -6.831842      6.305284
  H      -1.328238     -6.242169      5.098707
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  H      -2.383641     -8.103758      4.037788
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  H      -2.091986     -7.033644      1.532729
  C      -3.422852     -0.958606     -0.301829
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  C      -3.780327     -2.725948      1.525959
  C      -5.294275     -3.127289      1.491660
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  H      -2.903202     -0.754057     -1.249219
  H      -3.073237     -0.226898      0.442023
  H      -4.493962     -0.776366     -0.461356
  H      -2.054821     -2.515269      0.271111
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  H      -7.624510      0.337654     -1.587739
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  H      -6.995801      3.772941      1.565333
  H      -6.139415      0.167886      3.150707
  H      -9.938780     -6.957143      5.976345
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  H      -7.640404     -7.318094      5.263662
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  H      -8.803736     -3.918695      4.003970
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  H      -9.135814     -1.659584      3.813993
  H      -9.556123      0.775182      3.997561
  H      -8.496483      2.124709      5.785277
  H      -7.203763      2.509571      7.686493
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  H       0.090932     -5.225425      8.373024
  H      -1.101902     -3.221240      7.500268
  H      -0.654202     -4.339324      6.224204
  H      -2.884904     -3.122473      6.146316
  H      -3.541594     -5.148484      8.331738
  H      -3.848986     -3.384909      8.298952
  H      -4.805021     -4.792331      6.153083
  H      -4.780817     -7.229241      6.775936
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  H      -7.930142     -8.428986      9.471352
  H      -9.386757     -7.003882     10.635935
  H      -7.171435     -4.233714      8.714141
  N      -4.815841     -3.066179      4.519476
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.197029384594
  N      -3.094979     -3.828795      2.267179
  C      -2.677439     -4.946693      1.395733
  C      -2.375074     -6.210702      2.201097
  N      -3.502168     -6.566978      3.088196
  C      -4.653239     -7.166464      2.403374
  C      -5.944704     -6.903050      3.185357
  N      -5.955691     -5.589637      3.833551
  Mo     -4.250128     -4.490542      3.835028
  N      -3.047697     -5.010852      5.358473
  C      -2.423616     -6.336157      5.327644
  C      -3.083608     -7.283363      4.306034
  H      -2.496373     -6.826620      6.313959
  H      -1.343931     -6.242129      5.105551
  H      -3.990728     -7.718479      4.748965
  H      -2.392977     -8.112399      4.062878
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  H      -1.747490     -4.696325      0.851591
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  H      -2.099811     -7.047832      1.533190
  C      -3.378216     -0.958252     -0.278262
  C      -3.122558     -2.392777      0.181128
  C      -3.783211     -2.736877      1.524531
  C      -5.305536     -3.106229      1.461488
  N      -6.272839     -2.166882      1.984818
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  C      -6.939590     -0.883744      0.005490
  C      -7.249603      0.347179     -0.568670
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  N      -7.634090     -3.124285      5.623848
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  N      -5.149588     -4.554577      7.124752
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  C      -6.917777     -5.285562      8.604741
  H      -2.843367     -0.748583     -1.216100
  H      -3.030365     -0.238764      0.478306
  H      -4.445031     -0.761523     -0.450246
  H      -2.036364     -2.537880      0.294555
  H      -3.456856     -3.099200     -0.596863
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  H      -6.032769     -1.988704      2.969051
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  H      -7.565317      0.389551     -1.613166
  H      -7.431277      2.486191     -0.294713
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  H      -6.171096      0.190528      3.150728
  H      -9.956155     -6.968447      5.956870
  H      -9.951605     -5.290587      5.377241
  H      -8.941745     -5.753010      6.762483
  H      -8.582765     -6.722254      3.848671
  H      -7.665063     -7.342689      5.229795
  H      -6.726007     -5.177543      5.693106
  H      -8.802296     -3.945949      4.032268
  H      -7.150669     -3.483123      3.608378
  H      -6.694098     -3.275275      6.010791
  H      -9.136624     -1.697237      3.823723
  H      -9.546441      0.739822      3.975194
  H      -8.492944      2.106477      5.753386
  H      -7.209928      2.508840      7.658005
  H      -6.562303     -1.464765      7.283828
  H      -1.171161     -6.256296      7.808682
  H      -1.446806     -5.036999      9.065909
  H       0.141854     -5.177293      8.302204
  H      -1.093442     -3.189432      7.451433
  H      -0.663190     -4.303185      6.167877
  H      -2.909498     -3.118594      6.136251
  H      -3.507426     -5.135627      8.350753
  H      -3.820678     -3.373083      8.301191
  H      -4.805932     -4.798898      6.184262
  H      -4.776531     -7.229242      6.805493
  H      -6.099023     -9.017445      7.934416
  H      -7.956226     -8.426820      9.465864
  H      -9.409501     -7.005549     10.628616
  H      -7.154421     -4.231144      8.756922
  N      -4.825418     -3.046124      4.485382
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.204393677324
  N      -3.124188     -3.856535      2.265898
  C      -2.700405     -4.968986      1.395100
  C      -2.386348     -6.226667      2.203211
  N      -3.508751     -6.587170      3.091290
  C      -4.659453     -7.186606      2.409446
  C      -5.947958     -6.923518      3.194240
  N      -5.958975     -5.607176      3.835116
  Mo     -4.267553     -4.492534      3.838817
  N      -3.062967     -5.010019      5.359224
  C      -2.438702     -6.334202      5.334416
  C      -3.094343     -7.288175      4.317768
  H      -2.510467     -6.820639      6.323140
  H      -1.358469     -6.239968      5.113977
  H      -4.002439     -7.720927      4.761124
  H      -2.401340     -8.119680      4.088424
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  H      -6.081569     -7.728348      3.941599
  H      -4.721902     -6.730997      1.410796
  H      -4.524098     -8.276192      2.268119
  H      -1.773761     -4.711446      0.848639
  H      -3.456063     -5.190185      0.615094
  H      -1.525576     -6.011479      2.853936
  H      -2.105950     -7.062365      1.534902
  C      -3.338004     -0.960042     -0.255013
  C      -3.102272     -2.401612      0.192821
  C      -3.786614     -2.749738      1.522918
  C      -5.315487     -3.088700      1.430900
  N      -6.264667     -2.136835      1.963847
  C      -6.509794     -0.908716      1.332852
  C      -6.902470     -0.842325     -0.017090
  C      -7.212244      0.391296     -0.585587
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  H      -6.738533     -5.225110      5.706628
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  H      -7.162359     -3.484622      3.619856
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  H      -9.135691     -1.731952      3.834601
  H      -9.535493      0.707047      3.954925
  H      -8.486981      2.090254      5.723060
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  H      -1.386549     -5.006829      9.030536
  H       0.188533     -5.125796      8.235306
  H      -1.090815     -3.156665      7.407365
  H      -0.673436     -4.264424      6.116074
  H      -2.935366     -3.114673      6.128777
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  H      -4.807061     -4.808092      6.212251
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.213822480174
  N      -3.153642     -3.883216      2.263605
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  C      -2.394999     -6.240815      2.205900
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  C      -3.102704     -7.291146      4.329743
  H      -2.522948     -6.813986      6.332931
  H      -1.371232     -6.234974      5.123965
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  H      -2.738202     -0.743834     -1.152032
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  H      -0.685303     -4.224054      6.070850
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.212031556778
  N      -3.147829     -3.868598      2.232514
  C      -2.701197     -5.003655      1.352622
  C      -2.362136     -6.267985      2.180461
  N      -3.486879     -6.639030      3.091341
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  Mo     -4.283063     -4.474410      3.854449
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  H      -2.503988     -6.827773      6.364733
  H      -1.347333     -6.244191      5.161991
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  H      -2.741708     -0.726259     -1.213788
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  H      -1.071009     -3.135695      7.435866
  H      -0.666738     -4.224423      6.125302
  H      -2.938469     -3.097350      6.189242
  H      -3.446264     -5.129693      8.417777
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  H      -9.470789     -6.994523     10.617870
  H      -7.119673     -4.215910      8.873307
  N      -4.847496     -3.001380      4.429078
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.215100253615
  N      -3.156951     -3.883189      2.240828
  C      -2.718764     -5.014025      1.356607
  C      -2.376225     -6.277296      2.181207
  N      -3.497968     -6.646164      3.092685
  C      -4.664074     -7.251955      2.417789
  C      -5.955784     -6.980642      3.220297
  N      -5.972896     -5.635841      3.855774
  Mo     -4.284576     -4.480636      3.864548
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  C      -2.434384     -6.359681      5.371528
  C      -3.085001     -7.331732      4.346188
  H      -2.507957     -6.844025      6.361478
  H      -1.353531     -6.263509      5.155463
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  H      -8.825016     -4.027022      4.077581
  H      -7.201955     -3.512099      3.619050
  H      -6.775332     -3.334081      6.095711
  H      -9.177773     -1.803807      3.810603
  H      -9.568926      0.637604      3.858387
  H      -8.520329      2.068422      5.587115
  H      -7.244610      2.540720      7.479345
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  H      -1.023081     -6.220050      7.728172
  H      -1.273955     -5.028729      9.015603
  H       0.279680     -5.109374      8.174793
  H      -1.051869     -3.147686      7.417551
  H      -0.658565     -4.225536      6.095152
  H      -2.935516     -3.113989      6.193749
  H      -3.411423     -5.161698      8.417531
  H      -3.718038     -3.398558      8.381496
  H      -4.795333     -4.816617      6.293287
  H      -4.775456     -7.230269      6.869824
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  H      -8.011741     -8.431433      9.457606
  H      -9.429129     -7.021215     10.660108
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.218961745749
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  C      -2.382912     -6.279483      2.181310
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  C      -3.096452     -7.335265      4.341279
  H      -2.512182     -6.854874      6.353617
  H      -1.359657     -6.275037      5.145615
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  H      -2.100387     -7.113709      1.511269
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  H      -2.689063     -0.701798     -1.135161
  H      -2.920069     -0.240220      0.567026
  H      -4.316207     -0.694523     -0.423633
  H      -1.984177     -2.562206      0.340034
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  H      -5.666059     -3.281089      0.353249
  H      -5.473813     -3.961695      1.937974
  H      -6.013095     -1.908793      2.926781
  H      -6.861795     -1.599758     -0.661590
  H      -7.411299      0.605932     -1.644925
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  H      -7.077580      3.927832      1.674158
  H      -6.230825      0.288257      3.168698
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  H      -7.223313     -3.523868      3.623224
  H      -6.770887     -3.322819      6.107309
  H      -9.219770     -1.862332      3.822541
  H      -9.646547      0.572731      3.824762
  H      -8.597025      2.054647      5.509351
  H      -7.293385      2.587399      7.363534
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  H      -0.973022     -6.229437      7.672995
  H      -1.221292     -5.055828      8.977046
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  H      -1.041468     -3.154350      7.397725
  H      -0.656215     -4.212643      6.057488
  H      -2.943093     -3.129689      6.199138
  H      -3.382788     -5.210612      8.404148
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  H      -4.789299     -4.833922      6.303221
  H      -4.821267     -7.246156      6.847283
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  H      -8.075430     -8.403514      9.432288
  H      -9.444678     -6.977916     10.669195
  H      -7.030630     -4.229413      8.960720
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.221687538685
  N      -3.175981     -3.904125      2.259872
  C      -2.743325     -5.020259      1.367646
  C      -2.389978     -6.279945      2.183939
  N      -3.506516     -6.652745      3.091352
  C      -4.675219     -7.244207      2.417132
  C      -5.954860     -6.986045      3.235070
  N      -5.970685     -5.645707      3.868155
  Mo     -4.288700     -4.491771      3.880719
  N      -3.067548     -5.033132      5.398067
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  C      -3.101045     -7.340632      4.340295
  H      -2.508461     -6.867981      6.350243
  H      -1.360780     -6.283843      5.139416
  H      -4.015735     -7.757801      4.784788
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  C      -3.251423     -0.914955     -0.186277
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  C      -5.334376     -3.002247      1.383572
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  H      -2.674391     -0.686360     -1.093894
  H      -2.913358     -0.235083      0.610183
  H      -4.305227     -0.681578     -0.390266
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  H      -6.254077      0.296425      3.199575
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  H      -7.731462     -7.411846      5.167956
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  H      -7.226068     -3.534205      3.599969
  H      -6.787224     -3.305743      6.094730
  H      -9.216256     -1.874109      3.767740
  H      -9.639828      0.560902      3.728999
  H      -8.600596      2.067681      5.398567
  H      -7.300807      2.628948      7.245133
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  H      -0.931580     -6.237267      7.638488
  H      -1.180709     -5.077688      8.955125
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  H      -1.036120     -3.160653      7.390305
  H      -0.655293     -4.203663      6.036648
  H      -2.951594     -3.146796      6.212466
  H      -3.355101     -5.256118      8.399897
  H      -3.643678     -3.490671      8.425434
  H      -4.782359     -4.856386      6.320999
  H      -4.836657     -7.269579      6.845391
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  H      -8.075690     -8.413274      9.455937
  H      -9.412158     -6.984411     10.723340
  H      -6.987556     -4.247138      9.011106
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.224402997443
  N      -3.184327     -3.914967      2.265138
  C      -2.752410     -5.024964      1.370432
  C      -2.396687     -6.283764      2.183138
  N      -3.511330     -6.656755      3.088976
  C      -4.681961     -7.242031      2.415932
  C      -5.956517     -6.987931      3.240139
  N      -5.971595     -5.648292      3.869793
  Mo     -4.291510     -4.497075      3.885346
  N      -3.068953     -5.043871      5.396402
  C      -2.443196     -6.387496      5.355624
  C      -3.108433     -7.345469      4.335943
  H      -2.508352     -6.878294      6.343236
  H      -1.364404     -6.292561      5.129444
  H      -4.024301     -7.758736      4.781350
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  C      -3.234152     -0.913377     -0.164057
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  C      -3.779907     -2.742392      1.540601
  C      -5.331115     -2.991371      1.386536
  N      -6.214453     -1.999547      1.962875
  C      -6.466627     -0.770434      1.352811
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  H      -2.651737     -0.682592     -1.067548
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  H      -4.286457     -0.677680     -0.372952
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  H      -7.370510      0.635862     -1.620668
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  H      -7.041404      3.959901      1.698000
  H      -6.235692      0.318537      3.203782
  H      -9.990296     -7.007344      5.979400
  H      -9.932741     -5.290185      5.535429
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  H      -7.735889     -7.409154      5.159986
  H      -6.776518     -5.282663      5.759155
  H      -8.831848     -4.078169      4.099006
  H      -7.234341     -3.535977      3.584445
  H      -6.791710     -3.290785      6.082933
  H      -9.255172     -1.902902      3.762176
  H      -9.723754      0.523099      3.715974
  H      -8.699286      2.056451      5.370206
  H      -7.385602      2.652175      7.193876
  H      -6.680373     -1.322073      7.180559
  H      -0.890709     -6.240167      7.598110
  H      -1.142229     -5.094139      8.925958
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  H      -1.032962     -3.163427      7.374788
  H      -0.656617     -4.192051      6.008862
  H      -2.962584     -3.161826      6.218925
  H      -3.330229     -5.301408      8.385557
  H      -3.610108     -3.535767      8.444176
  H      -4.777937     -4.875573      6.332129
  H      -4.862135     -7.286746      6.836292
  H      -6.312189     -9.038209      7.863239
  H      -8.079631     -8.410282      9.481530
  H      -9.375299     -6.977695     10.783962
  H      -6.941912     -4.255235      9.058358
  N      -4.836849     -3.013684      4.456993
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.231014818867
  N      -3.221237     -3.942552      2.273334
  C      -2.780610     -5.025757      1.379177
  C      -2.407490     -6.273809      2.178736
  N      -3.506013     -6.655904      3.079142
  C      -4.675921     -7.234688      2.416897
  C      -5.937768     -6.996877      3.249198
  N      -5.958767     -5.668186      3.871452
  Mo     -4.297592     -4.513213      3.891148
  N      -3.063749     -5.064270      5.377493
  C      -2.435236     -6.390020      5.323143
  C      -3.099499     -7.340614      4.313557
  H      -2.489562     -6.884604      6.309867
  H      -1.359555     -6.285506      5.088730
  H      -4.011115     -7.757377      4.761785
  H      -2.417342     -8.187115      4.105137
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  H      -4.775713     -6.745990      1.437320
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.233698974416
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.237033719534
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  H      -9.376793     -6.579170     11.003850
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.236532820746
  N      -3.307430     -4.007884      2.263386
  C      -2.833626     -5.060008      1.372127
  C      -2.421067     -6.284444      2.171294
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  H      -5.655335     -3.886934      1.789039
  H      -5.984751     -1.837695      2.919034
  H      -6.661326     -1.377983     -0.653845
  H      -7.214402      0.831910     -1.606701
  H      -7.324373      2.835041     -0.211645
  H      -7.005937      4.049231      1.692079
  H      -6.275792      0.382167      3.185653
  H      -9.955704     -7.044213      6.005948
  H      -9.863869     -5.293702      5.673642
  H      -8.769354     -6.038127      6.876911
  H      -8.703670     -6.646718      3.820648
  H      -7.733350     -7.467504      5.069695
  H      -6.779212     -5.334960      5.760843
  H      -8.845855     -4.185350      4.098137
  H      -7.275849     -3.585743      3.515405
  H      -6.888361     -3.299764      6.084623
  H      -9.262934     -2.000790      3.645760
  H      -9.777230      0.398675      3.544702
  H      -8.878744      1.976908      5.218159
  H      -7.649866      2.630957      7.046061
  H      -6.920448     -1.317839      7.176091
  H      -0.668046     -6.213719      7.347722
  H      -0.953727     -5.145046      8.715617
  H       0.520276     -4.983261      7.780530
  H      -1.053516     -3.149032      7.271595
  H      -0.682582     -4.080029      5.848983
  H      -3.042555     -3.239687      6.245865
  H      -3.140303     -5.558073      8.279451
  H      -3.395309     -3.811989      8.507811
  H      -4.797523     -5.048458      6.411928
  H      -5.020677     -7.418307      6.938679
  H      -6.653039     -9.007768      7.962668
  H      -8.297572     -8.217339      9.632426
  H      -9.378742     -6.692374     10.996820
  H      -6.689125     -4.213122      9.234805
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.241000620475
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  C      -2.833757     -5.090970      1.335099
  C      -2.413129     -6.319423      2.136199
  N      -3.482984     -6.703008      3.065031
  C      -4.674241     -7.277030      2.435263
  C      -5.912482     -7.051840      3.303549
  N      -5.946001     -5.706603      3.878386
  Mo     -4.300284     -4.566277      3.893015
  N      -3.038693     -5.116861      5.344771
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  C      -3.063282     -7.386199      4.292968
  H      -2.413114     -6.921989      6.270972
  H      -1.318002     -6.309070      5.024881
  H      -3.968934     -7.802672      4.758008
  H      -2.387802     -8.239985      4.082236
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  H      -4.811704     -6.783540      1.462583
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  H      -1.527359     -6.068864      2.739280
  H      -2.131161     -7.146260      1.454364
  C      -3.106615     -0.905503      0.006887
  C      -2.964453     -2.384162      0.350598
  C      -3.785357     -2.796297      1.576144
  C      -5.331072     -2.918356      1.299639
  N      -6.138985     -1.880604      1.921434
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  C      -8.004325      0.443388      6.290035
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  C      -7.649771     -0.898840      6.367442
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  N      -4.871927     -4.760768      7.391912
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  C      -7.564717     -6.058706      9.609445
  S      -8.682168     -5.359143     10.788644
  C      -6.612631     -5.198663      9.032435
  H      -2.476593     -0.647225     -0.850745
  H      -2.802795     -0.274444      0.853434
  H      -4.138117     -0.637771     -0.243316
  H      -1.906078     -2.600159      0.551410
  H      -3.250766     -2.998645     -0.517855
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  H      -5.556579     -2.989155      0.227663
  H      -5.648628     -3.877760      1.757748
  H      -5.973755     -1.850901      2.928729
  H      -6.499612     -1.315502     -0.710733
  H      -7.042574      0.910610     -1.629595
  H      -7.291547      2.875781     -0.135364
  H      -7.171195      4.045047      1.903072
  H      -6.358056      0.358432      3.279901
  H      -9.921281     -7.022534      6.050786
  H      -9.829282     -5.304805      5.677157
  H      -8.747170     -5.995897      6.877175
  H      -8.678273     -6.658483      3.870897
  H      -7.703063     -7.442460      5.116111
  H      -6.756399     -5.308316      5.767730
  H      -8.827312     -4.209681      4.088642
  H      -7.265535     -3.592664      3.496864
  H      -6.876896     -3.266290      6.076544
  H      -9.278458     -2.052458      3.583927
  H      -9.901718      0.327993      3.473591
  H      -9.096969      1.943984      5.176252
  H      -7.924085      2.647023      7.057912
  H      -7.002433     -1.257165      7.173219
  H      -0.660014     -6.275304      7.283507
  H      -0.913954     -5.218673      8.680074
  H       0.555400     -5.082809      7.730766
  H      -0.983270     -3.216661      7.261387
  H      -0.638795     -4.142690      5.819043
  H      -2.983070     -3.278978      6.250266
  H      -3.095544     -5.617710      8.234602
  H      -3.306745     -3.874142      8.521769
  H      -4.777190     -5.061366      6.412327
  H      -5.097533     -7.413944      6.923681
  H      -6.798659     -8.942527      7.948138
  H      -8.382279     -8.084675      9.648896
  H      -9.348670     -6.510018     11.060254
  H      -6.585520     -4.130089      9.271981
  N      -4.795573     -3.059448      4.449026
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.242025755272
  N      -3.331477     -4.043083      2.244579
  C      -2.853039     -5.090385      1.345629
  C      -2.430343     -6.317331      2.143341
  N      -3.497389     -6.703895      3.066983
  C      -4.686431     -7.276143      2.435488
  C      -5.925233     -7.055524      3.299614
  N      -5.968418     -5.712662      3.871691
  Mo     -4.323985     -4.572991      3.898014
  N      -3.066734     -5.126047      5.347139
  C      -2.406548     -6.429406      5.278413
  C      -3.074270     -7.385315      4.289652
  H      -2.425728     -6.923658      6.266109
  H      -1.339085     -6.297446      5.021952
  H      -3.976691     -7.805446      4.751881
  H      -2.396171     -8.233951      4.077966
  H      -6.808425     -7.233338      2.661896
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  H      -4.824480     -6.777678      1.465525
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  H      -2.144225     -7.142527      1.461903
  C      -3.030897     -0.909996      0.021302
  C      -2.928842     -2.396382      0.374771
  C      -3.790434     -2.800844      1.584239
  C      -5.333768     -2.898895      1.280228
  N      -6.135816     -1.862336      1.896962
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  C      -7.777310     -4.042417      4.397099
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  S      -8.692923     -5.347254     10.809603
  C      -6.642772     -5.229256      9.036110
  H      -2.364197     -0.660498     -0.821501
  H      -2.736951     -0.286835      0.879326
  H      -4.057239     -0.617782     -0.263010
  H      -1.873481     -2.631691      0.608078
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  H      -5.534570     -2.946474      0.199919
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  H      -7.025288      0.961292     -1.623636
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  H      -6.353973      0.367942      3.278614
  H      -9.956195     -7.062760      5.990810
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  H      -8.737742     -6.617015      3.817036
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  H      -6.777191     -5.347594      5.776348
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  H      -7.278798     -3.601152      3.533205
  H      -6.886088     -3.274708      6.109777
  H      -9.268620     -2.085505      3.579472
  H      -9.910242      0.298741      3.409422
  H      -9.123164      1.951770      5.090161
  H      -7.956072      2.697568      6.959098
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  H      -0.540169     -6.248465      7.223040
  H      -0.771967     -5.221534      8.657961
  H       0.666590     -4.998293      7.608794
  H      -1.006509     -3.186191      7.215503
  H      -0.687500     -4.087245      5.739512
  H      -3.051774     -3.293125      6.262137
  H      -3.107014     -5.664263      8.220729
  H      -3.328042     -3.923518      8.536239
  H      -4.813979     -5.098516      6.420186
  H      -5.078204     -7.460412      6.998116
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  H      -8.321079     -8.075925      9.766276
  H      -9.327225     -6.476761     11.127552
  H      -6.637830     -4.159875      9.242204
  N      -4.831223     -3.076630      4.456405
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.245295319427
  N      -3.335832     -4.054340      2.238096
  C      -2.851609     -5.096841      1.338963
  C      -2.418644     -6.319624      2.136017
  N      -3.477103     -6.707530      3.067419
  C      -4.668895     -7.284074      2.445437
  C      -5.901719     -7.070190      3.317476
  N      -5.955931     -5.720881      3.871098
  Mo     -4.311071     -4.580870      3.900929
  N      -3.049511     -5.132607      5.346461
  C      -2.375818     -6.427672      5.270153
  C      -3.042729     -7.387284      4.286456
  H      -2.382405     -6.923687      6.256871
  H      -1.311837     -6.283696      5.005662
  H      -3.940454     -7.811629      4.754772
  H      -2.361905     -8.233152      4.070172
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  H      -4.816953     -6.784872      1.477457
  H      -4.543415     -8.366193      2.241374
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  H      -2.134070     -7.146035      1.455185
  C      -3.014766     -0.908840      0.036574
  C      -2.907368     -2.392992      0.385550
  C      -3.780069     -2.803105      1.585182
  C      -5.321575     -2.886149      1.266715
  N      -6.118470     -1.847177      1.888076
  C      -6.387945     -0.609843      1.332670
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  C      -6.931430      0.818975     -0.541591
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  C      -7.779759     -4.050477      4.374130
  N      -7.727434     -3.159561      5.523242
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  N      -4.878806     -4.824545      7.411904
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  S      -8.647806     -5.293785     10.868271
  C      -6.604779     -5.208126      9.078861
  H      -2.342230     -0.653240     -0.799762
  H      -2.733561     -0.286820      0.900156
  H      -4.037919     -0.623373     -0.255244
  H      -1.854851     -2.622101      0.629204
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  H      -7.084533      0.938866     -1.614003
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  H      -7.219424      4.070881      1.913805
  H      -6.382471      0.386574      3.256509
  H      -9.950748     -7.059842      5.989497
  H      -9.816948     -5.304252      5.698334
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  H      -7.747473     -7.484390      5.025610
  H      -6.780892     -5.340207      5.764700
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  H      -7.283493     -3.617621      3.491709
  H      -6.873542     -3.276090      6.056557
  H      -9.289731     -2.063714      3.602026
  H      -9.914815      0.318970      3.485604
  H      -9.078216      1.950038      5.149907
  H      -7.847596      2.678394      6.963045
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  H      -0.520729     -6.229704      7.229962
  H      -0.790441     -5.210572      8.654780
  H       0.653241     -4.963835      7.643375
  H      -1.028288     -3.176296      7.237320
  H      -0.682597     -4.065000      5.765239
  H      -3.064545     -3.307851      6.281148
  H      -3.084133     -5.725610      8.182521
  H      -3.296796     -3.997949      8.561793
  H      -4.818419     -5.126585      6.430793
  H      -5.176458     -7.472493      6.956273
  H      -6.904576     -8.941912      8.008866
  H      -8.439280     -8.027655      9.728500
  H      -9.389735     -6.415104     11.113758
  H      -6.545559     -4.138912      9.313053
  N      -4.819805     -3.079398      4.456521
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.245334723769
  N      -3.387794     -4.067296      2.202001
  C      -2.897404     -5.110126      1.300617
  C      -2.436630     -6.324457      2.102098
  N      -3.476740     -6.716063      3.058218
  C      -4.675134     -7.309088      2.457999
  C      -5.898320     -7.101838      3.349203
  N      -5.964959     -5.740070      3.879768
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  N      -3.047099     -5.128543      5.332217
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  C      -3.016687     -7.388465      4.275953
  H      -2.336769     -6.910083      6.238644
  H      -1.291119     -6.254841      4.973175
  H      -3.904488     -7.821602      4.758833
  H      -2.329871     -8.228455      4.052458
  H      -6.790446     -7.326175      2.735941
  H      -5.898384     -7.852277      4.165177
  H      -4.844286     -6.816870      1.489961
  H      -4.541520     -8.390719      2.257804
  H      -2.037614     -4.752324      0.708973
  H      -3.670046     -5.401853      0.560719
  H      -1.543752     -6.049764      2.683717
  H      -2.155430     -7.154294      1.423900
  C      -3.107778     -0.903378      0.041917
  C      -2.970614     -2.383859      0.365060
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  C      -6.820161      0.914955     -0.562629
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  C      -6.792988      1.804039      1.654273
  S      -6.963760      3.122902      2.809947
  C      -6.491708      0.540093      2.172133
  C      -9.235271     -6.200128      5.943491
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  C      -8.828312      0.884676      5.195377
  C      -8.023237      0.420318      6.242755
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  C      -7.672202     -0.925874      6.319251
  C      -0.524963     -5.160431      7.655287
  C      -1.205607     -4.125148      6.786327
  C      -2.703858     -4.303176      6.509904
  C      -3.469452     -4.772137      7.769862
  N      -4.886885     -4.859733      7.414956
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  C      -7.531038     -6.099577      9.716222
  S      -8.618515     -5.375913     10.904869
  C      -6.596320     -5.259135      9.100007
  H      -2.458440     -0.631380     -0.794378
  H      -2.829452     -0.283139      0.907564
  H      -4.128645     -0.636457     -0.230437
  H      -1.921483     -2.599412      0.594975
  H      -3.229605     -2.988083     -0.520960
  H      -3.715500     -2.027749      2.331191
  H      -5.548123     -2.872994      0.155185
  H      -5.736584     -3.828422      1.647206
  H      -5.980513     -1.802412      2.883332
  H      -6.455363     -1.189363     -0.743608
  H      -6.947119      1.057744     -1.639670
  H      -7.191716      2.990909     -0.137084
  H      -7.026743      4.115594      1.876599
  H      -6.352475      0.392149      3.247880
  H      -9.940953     -7.023187      6.075132
  H      -9.816038     -5.304432      5.724643
  H      -8.728990     -6.037501      6.893373
  H      -8.728385     -6.659207      3.885247
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  H      -6.789539     -5.319443      5.757289
  H      -8.847582     -4.241328      4.060689
  H      -7.285208     -3.650867      3.454253
  H      -6.889556     -3.286240      6.033109
  H      -9.246108     -2.052388      3.508243
  H      -9.866475      0.333418      3.403927
  H      -9.090835      1.939474      5.120670
  H      -7.919997      2.645863      6.986576
  H      -7.044562     -1.292414      7.133572
  H      -0.605821     -6.182695      7.264694
  H      -0.937969     -5.156218      8.654438
  H       0.529031     -4.928265      7.744128
  H      -1.095803     -3.144308      7.274340
  H      -0.693899     -4.033202      5.830542
  H      -3.095859     -3.305955      6.271637
  H      -3.075377     -5.734462      8.149383
  H      -3.312903     -4.020704      8.557535
  H      -4.846695     -5.170156      6.437679
  H      -5.116036     -7.504621      7.015659
  H      -6.786943     -9.000079      8.109293
  H      -8.334663     -8.105978      9.821882
  H      -9.289469     -6.504441     11.204797
  H      -6.568954     -4.189696      9.311270
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.249093001302
  N      -3.385095     -4.088796      2.199626
  C      -2.896691     -5.131897      1.297276
  C      -2.440259     -6.348525      2.097251
  N      -3.477019     -6.731918      3.059340
  C      -4.682651     -7.319057      2.466197
  C      -5.899629     -7.103318      3.363249
  N      -5.965022     -5.734333      3.876579
  Mo     -4.315839     -4.599830      3.896357
  N      -3.041468     -5.148270      5.333584
  C      -2.337869     -6.431673      5.244433
  C      -3.011429     -7.405515      4.274938
  H      -2.313434     -6.926567      6.231566
  H      -1.282124     -6.265517      4.956913
  H      -3.897317     -7.835058      4.764638
  H      -2.328155     -8.247822      4.048014
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  H      -2.167825     -7.181351      1.419458
  C      -3.009931     -0.913550      0.046536
  C      -2.907728     -2.401177      0.380107
  C      -3.794466     -2.814545      1.562051
  C      -5.334898     -2.852122      1.222853
  N      -6.099722     -1.792165      1.861760
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  C      -6.850527      0.906176     -0.573009
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  C      -9.242544     -6.193072      5.919586
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  C      -7.775238     -4.050080      4.339321
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  C      -7.522356     -6.076210      9.754015
  S      -8.571972     -5.331870     10.966399
  C      -6.577187     -5.254196      9.127736
  H      -2.332093     -0.652349     -0.777857
  H      -2.737562     -0.298268      0.917454
  H      -4.026674     -0.623996     -0.252209
  H      -1.861183     -2.634619      0.635381
  H      -3.157432     -3.002026     -0.510938
  H      -3.679225     -2.043843      2.339492
  H      -5.505390     -2.838922      0.138758
  H      -5.729731     -3.808623      1.621408
  H      -5.956015     -1.781001      2.869934
  H      -6.419784     -1.191308     -0.766793
  H      -6.977557      1.041004     -1.648579
  H      -7.295283      2.976577     -0.132420
  H      -7.233016      4.110434      1.917423
  H      -6.386703      0.415770      3.238485
  H      -9.967367     -7.012965      6.018865
  H      -9.805806     -5.263702      5.732804
  H      -8.724713     -6.077415      6.887838
  H      -8.756111     -6.601377      3.832087
  H      -7.769559     -7.472514      5.025314
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  H      -8.829345     -4.200590      4.046572
  H      -7.264626     -3.632905      3.451865
  H      -6.879425     -3.263383      6.032333
  H      -9.222801     -2.035945      3.498377
  H      -9.882346      0.339258      3.406714
  H      -9.147848      1.941272      5.148034
  H      -8.020653      2.639000      7.056109
  H      -7.049948     -1.262641      7.147613
  H      -0.518763     -6.173239      7.225639
  H      -0.845125     -5.173878      8.647196
  H       0.603364     -4.886423      7.681759
  H      -1.100942     -3.142046      7.262272
  H      -0.708734     -4.009652      5.794604
  H      -3.120518     -3.336174      6.290125
  H      -3.072769     -5.800034      8.114277
  H      -3.295133     -4.097512      8.579540
  H      -4.857134     -5.200031      6.441660
  H      -5.181826     -7.527651      7.006191
  H      -6.874735     -8.989268      8.114336
  H      -8.374629     -8.066010      9.856288
  H      -9.279264     -6.444062     11.256762
  H      -6.520513     -4.185743      9.346685
  N      -4.818090     -3.094238      4.453161
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.249290519479
  N      -3.410110     -4.081338      2.202663
  C      -2.916502     -5.114975      1.294698
  C      -2.444611     -6.332204      2.084280
  N      -3.466322     -6.725906      3.056635
  C      -4.673292     -7.320726      2.475471
  C      -5.882221     -7.115054      3.383596
  N      -5.961030     -5.745537      3.888710
  Mo     -4.312937     -4.603429      3.906570
  N      -3.028886     -5.155713      5.332370
  C      -2.304550     -6.422898      5.224022
  C      -2.976000     -7.399627      4.258814
  H      -2.257765     -6.923587      6.206642
  H      -1.257008     -6.236165      4.922569
  H      -3.848683     -7.841688      4.757357
  H      -2.286069     -8.229634      4.017554
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  H      -4.859453     -6.822868      1.513172
  H      -4.541823     -8.401553      2.268213
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  H      -2.174308     -7.161282      1.401330
  C      -3.002295     -0.904965      0.060995
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  C      -3.808728     -2.804800      1.573023
  C      -5.342874     -2.828251      1.223803
  N      -6.107843     -1.777539      1.863843
  C      -6.377530     -0.538319      1.315648
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  C      -7.781174     -4.070505      4.355362
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  S      -8.550097     -5.257753     11.006957
  C      -6.562279     -5.242184      9.154723
  H      -2.309774     -0.645286     -0.756086
  H      -2.742401     -0.289681      0.935354
  H      -4.016285     -0.613593     -0.253611
  H      -1.862185     -2.624724      0.672060
  H      -3.141840     -2.993189     -0.494422
  H      -3.694617     -2.042572      2.357584
  H      -5.502125     -2.797429      0.137575
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  H      -5.975106     -1.769770      2.882181
  H      -6.413938     -1.170776     -0.772445
  H      -6.961728      1.069124     -1.641534
  H      -7.284675      3.001491     -0.112992
  H      -7.081386      4.140178      1.881024
  H      -6.416137      0.425570      3.254115
  H      -9.961869     -7.062169      6.010299
  H      -9.798812     -5.314435      5.728970
  H      -8.726356     -6.123396      6.884597
  H      -8.744536     -6.629965      3.835809
  H      -7.762716     -7.500318      5.026345
  H      -6.798440     -5.334884      5.774072
  H      -8.833749     -4.220794      4.067263
  H      -7.273628     -3.657270      3.469873
  H      -6.877316     -3.273736      6.038738
  H      -9.234519     -2.083317      3.501549
  H      -9.913190      0.295564      3.371266
  H      -9.178642      1.933727      5.084713
  H      -8.013506      2.685091      6.947923
  H      -7.054747     -1.247851      7.145887
  H      -0.423093     -6.173875      7.174901
  H      -0.739232     -5.210348      8.638251
  H       0.689620     -4.860029      7.615569
  H      -1.093497     -3.150694      7.258911
  H      -0.717040     -3.991845      5.756893
  H      -3.139801     -3.362920      6.320573
  H      -3.063739     -5.865637      8.091589
  H      -3.279771     -4.173424      8.605375
  H      -4.872272     -5.235854      6.449343
  H      -5.266963     -7.561226      7.003134
  H      -7.005796     -8.974090      8.116718
  H      -8.461216     -8.004072      9.875350
  H      -9.337426     -6.345328     11.261141
  H      -6.466844     -4.173273      9.379529
  N      -4.823443     -3.115533      4.478010
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.251401368330
  N      -3.425576     -4.104229      2.180215
  C      -2.930859     -5.140305      1.277578
  C      -2.451716     -6.351225      2.071505
  N      -3.462955     -6.738213      3.055668
  C      -4.673866     -7.337263      2.487958
  C      -5.875676     -7.125189      3.400877
  N      -5.963567     -5.746892      3.878706
  Mo     -4.309182     -4.611666      3.896351
  N      -3.029372     -5.161046      5.324896
  C      -2.289522     -6.418252      5.214702
  C      -2.959403     -7.404196      4.258310
  H      -2.228444     -6.915316      6.198445
  H      -1.246790     -6.219793      4.902876
  H      -3.826268     -7.847381      4.767021
  H      -2.265877     -8.232281      4.015548
  H      -6.775046     -7.394912      2.822845
  H      -5.833491     -7.841675      4.244114
  H      -4.866984     -6.843409      1.524857
  H      -4.543823     -8.419211      2.285711
  H      -2.079150     -4.771847      0.682657
  H      -3.706205     -5.438717      0.542482
  H      -1.546334     -6.069760      2.628311
  H      -2.187711     -7.185667      1.392481
  C      -2.953208     -0.919232      0.059187
  C      -2.867618     -2.406596      0.396534
  C      -3.793403     -2.816194      1.553052
  C      -5.322624     -2.803761      1.178334
  N      -6.075205     -1.746485      1.820342
  C      -6.358262     -0.508585      1.280975
  C      -6.512442     -0.300269     -0.102736
  C      -6.867227      0.962354     -0.567253
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  C      -6.567650      0.587350      2.162620
  C      -9.243429     -6.220219      5.904207
  C      -8.243605     -6.517747      4.791001
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  C      -7.777554     -4.058978      4.336103
  N      -7.699170     -3.139456      5.459098
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  C      -8.854909      0.900628      5.172261
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  C      -2.732900     -4.359110      6.527535
  C      -3.481111     -4.905625      7.755535
  N      -4.904414     -4.965939      7.411312
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  H      -2.246839     -0.659385     -0.746080
  H      -2.706340     -0.306667      0.939543
  H      -3.960852     -0.624797     -0.270851
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  H      -3.677649     -2.063084      2.345596
  H      -5.462179     -2.750710      0.090980
  H      -5.753690     -3.756954      1.539250
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  H      -6.983785      1.107702     -1.639534
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  H      -7.292607      4.143633      1.958945
  H      -6.432751      0.442312      3.229912
  H      -9.978511     -7.034952      5.994619
  H      -9.790747     -5.289127      5.724178
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  H      -7.783914     -7.490893      5.002403
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  H      -8.834160     -4.197864      4.058066
  H      -7.271278     -3.662383      3.442013
  H      -6.850816     -3.257882      5.998625
  H      -9.241965     -2.059517      3.512427
  H      -9.914596      0.320426      3.404771
  H      -9.139652      1.953843      5.096099
  H      -7.925902      2.701875      6.920713
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  H      -0.471750     -6.145547      7.203663
  H      -0.842317     -5.188341      8.648663
  H       0.599849     -4.823992      7.691396
  H      -1.164644     -3.136599      7.292672
  H      -0.748292     -3.974511      5.807022
  H      -3.181686     -3.378627      6.323691
  H      -3.085350     -5.896697      8.054243
  H      -3.315389     -4.216807      8.599553
  H      -4.905401     -5.284792      6.439546
  H      -5.257936     -7.605134      7.042085
  H      -6.949052     -9.010955      8.216690
  H      -8.396826     -8.029995      9.974183
  H      -9.279838     -6.359277     11.337111
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.252540683515
  N      -3.457839     -4.121027      2.156733
  C      -2.963315     -5.163522      1.256525
  C      -2.469155     -6.367508      2.055981
  N      -3.466168     -6.750802      3.059759
  C      -4.681825     -7.362296      2.510694
  C      -5.875819     -7.145448      3.435373
  N      -5.969679     -5.757076      3.891365
  Mo     -4.315442     -4.618895      3.894196
  N      -3.027556     -5.158046      5.319622
  C      -2.268086     -6.407004      5.205065
  C      -2.940454     -7.407972      4.261969
  H      -2.186037     -6.898812      6.190322
  H      -1.231921     -6.195402      4.876679
  H      -3.797376     -7.855978      4.786945
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  H      -2.211580     -7.207054      1.380775
  C      -2.986692     -0.924345      0.055459
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  C      -3.815596     -2.825834      1.532093
  C      -5.343335     -2.794687      1.154881
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  H      -2.288640     -0.658410     -0.747116
  H      -2.738530     -0.314490      0.937818
  H      -3.992869     -0.631723     -0.267593
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  H      -6.891451      1.152560     -1.703565
  H      -7.253294      3.064077     -0.173627
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  H      -6.414126      0.460338      3.191467
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  H      -9.782476     -5.245094      5.773575
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  H      -7.230034     -3.669351      3.438467
  H      -6.847291     -3.264577      6.011394
  H      -9.168520     -2.022917      3.455607
  H      -9.859407      0.347445      3.389332
  H      -9.168745      1.931128      5.163236
  H      -8.059723      2.620072      7.089143
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  H      -0.452267     -6.066617      7.216109
  H      -0.873884     -5.130754      8.654343
  H       0.569985     -4.721930      7.729715
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  H      -0.769127     -3.892650      5.834783
  H      -3.229806     -3.379588      6.318068
  H      -3.081337     -5.917639      8.026688
  H      -3.332923     -4.253499      8.606240
  H      -4.928984     -5.319999      6.441120
  H      -5.304972     -7.624717      7.012756
  H      -6.982665     -9.045128      8.196144
  H      -8.373605     -8.082393     10.005018
  H      -9.206301     -6.424538     11.408490
  H      -6.451572     -4.248087      9.413576
  N      -4.826589     -3.116915      4.452933
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.254223883906
  N      -3.478008     -4.128749      2.151435
  C      -2.986039     -5.166012      1.246025
  C      -2.480449     -6.369300      2.037846
  N      -3.461974     -6.754721      3.055062
  C      -4.682006     -7.372160      2.523017
  C      -5.864238     -7.156751      3.462245
  N      -5.968693     -5.762459      3.895161
  Mo     -4.311938     -4.626532      3.895573
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  C      -2.914797     -7.409360      4.246983
  H      -2.134184     -6.896920      6.162935
  H      -1.215300     -6.172498      4.836186
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  H      -4.901570     -6.888085      1.560561
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  H      -2.230936     -7.208294      1.359027
  C      -2.932784     -0.913232      0.082267
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  C      -5.335511     -2.766064      1.143057
  N      -6.063155     -1.694595      1.798193
  C      -6.342171     -0.457498      1.252606
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  H      -2.211705     -0.647907     -0.706080
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  H      -3.932721     -0.605972     -0.263299
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  H      -6.891821      1.181037     -1.691400
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  H      -7.279864      4.186216      1.901851
  H      -6.449623      0.478035      3.200271
  H     -10.002415     -7.000205      6.002286
  H      -9.784954     -5.256579      5.751341
  H      -8.732798     -6.122402      6.884142
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  H      -7.804969     -7.486619      4.998742
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  H      -9.198264     -2.046865      3.447586
  H      -9.904574      0.321969      3.368883
  H      -9.196534      1.932121      5.113855
  H      -8.068194      2.646990      7.018553
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  H      -0.840481     -5.170855      8.646403
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  H      -1.255167     -3.094797      7.332662
  H      -0.788622     -3.875936      5.831744
  H      -3.256392     -3.412594      6.341006
  H      -3.083457     -5.981405      7.992091
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  H      -4.948966     -5.368338      6.440818
  H      -5.359631     -7.666960      7.027371
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  H      -8.390410     -8.058505     10.072956
  H      -9.161171     -6.377649     11.489961
  H      -6.415957     -4.258993      9.426910
  N      -4.821512     -3.129171      4.461177
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.254473411435
  N      -3.498719     -4.130339      2.139666
  C      -3.010032     -5.166581      1.233198
  C      -2.487831     -6.365974      2.020131
  N      -3.449413     -6.753914      3.054802
  C      -4.673124     -7.380448      2.543489
  C      -5.843676     -7.163540      3.495199
  N      -5.957980     -5.765739      3.909633
  Mo     -4.297909     -4.627814      3.897083
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  C      -2.201080     -6.386992      5.159216
  C      -2.874196     -7.402628      4.235282
  H      -2.065161     -6.880314      6.136647
  H      -1.186802     -6.138246      4.793436
  H      -3.703031     -7.870073      4.783854
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  H      -1.560500     -6.068960      2.531282
  H      -2.246874     -7.205796      1.339238
  C      -2.939730     -0.927626      0.071728
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  C      -3.816403     -2.820454      1.532246
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  N      -6.052300     -1.673962      1.787473
  C      -6.341514     -0.437322      1.250170
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  N      -7.680356     -3.129297      5.445573
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  H      -2.217062     -0.666012     -0.714614
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  H      -9.204618      1.943465      5.053394
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  H      -5.413060     -7.703157      7.024534
  H      -7.095665     -9.053679      8.284060
  H      -8.399684     -8.029932     10.127888
  H      -9.189476     -6.317553     11.498943
  H      -6.374136     -4.270265      9.429003
  N      -4.807364     -3.137150      4.468463
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.255976115813
  N      -3.520640     -4.144365      2.131119
  C      -3.035861     -5.181050      1.223977
  C      -2.502099     -6.375191      2.010483
  N      -3.450275     -6.761948      3.057937
  C      -4.675576     -7.397993      2.562464
  C      -5.837153     -7.179645      3.524173
  N      -5.961396     -5.775853      3.915768
  Mo     -4.302397     -4.635723      3.896518
  N      -3.001664     -5.172003      5.304033
  C      -2.185582     -6.376076      5.147617
  C      -2.857234     -7.402552      4.234599
  H      -2.027592     -6.866247      6.123189
  H      -1.180547     -6.112382      4.766318
  H      -3.675749     -7.876753      4.793718
  H      -2.142065     -8.199847      3.955266
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  H      -5.719443     -7.837263      4.410326
  H      -4.920500     -6.924882      1.600608
  H      -4.535169     -8.481360      2.377287
  H      -2.210877     -4.803133      0.598681
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  H      -1.569056     -6.073758      2.508994
  H      -2.267023     -7.217218      1.330146
  C      -2.921668     -0.923884      0.094906
  C      -2.852981     -2.414870      0.414907
  C      -3.821490     -2.826437      1.531205
  C      -5.332186     -2.728097      1.113805
  N      -6.043982     -1.655995      1.778706
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  C      -6.449954     -0.187040     -0.143675
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  S      -7.226777      3.203100      2.834194
  C      -6.571510      0.661417      2.125282
  C      -9.274723     -6.204318      5.884074
  C      -8.272862     -6.505502      4.773790
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  C      -7.751812     -4.063902      4.303812
  N      -7.667894     -3.123510      5.408339
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  C      -8.894715     -1.370962      4.216019
  C      -9.300325     -0.036396      4.164126
  C      -8.899910      0.891360      5.123855
  C      -8.057706      0.461916      6.163007
  S      -7.470019      1.571837      7.417369
  C      -7.648795     -0.870097      6.237908
  C      -0.454690     -5.036986      7.640152
  C      -1.306832     -4.046132      6.838071
  C      -2.780977     -4.398323      6.544041
  C      -3.509659     -5.053254      7.729051
  N      -4.936497     -5.122812      7.393713
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  C      -7.648048     -7.462796      9.633018
  C      -7.420280     -6.120312      9.973806
  S      -8.291384     -5.301450     11.281868
  C      -6.488805     -5.367277      9.248388
  H      -2.190733     -0.658229     -0.681704
  H      -2.702785     -0.321299      0.988854
  H      -3.914260     -0.621766     -0.263884
  H      -1.829138     -2.662926      0.738426
  H      -3.048539     -3.002032     -0.498329
  H      -3.695388     -2.103219      2.350020
  H      -5.438952     -2.617273      0.027408
  H      -5.814574     -3.676844      1.404358
  H      -5.931826     -1.667027      2.795595
  H      -6.292785     -0.997219     -0.856870
  H      -6.867013      1.245010     -1.685685
  H      -7.303783      3.130344     -0.123423
  H      -7.312303      4.212413      1.930436
  H      -6.479257      0.497063      3.200326
  H     -10.045768     -6.988434      5.937423
  H      -9.780156     -5.243416      5.729922
  H      -8.766172     -6.158815      6.859740
  H      -8.788794     -6.567440      3.801246
  H      -7.834532     -7.491846      4.968772
  H      -6.847106     -5.317709      5.773651
  H      -8.806940     -4.180806      4.012920
  H      -7.212213     -3.699837      3.415747
  H      -6.815213     -3.234928      5.954416
  H      -9.199354     -2.064188      3.434113
  H      -9.927231      0.299202      3.336629
  H      -9.213361      1.933795      5.056707
  H      -8.041240      2.693056      6.910595
  H      -6.994250     -1.206561      7.046798
  H      -0.363655     -6.020802      7.160792
  H      -0.863579     -5.195584      8.649140
  H       0.564931     -4.640283      7.758423
  H      -1.323209     -3.090720      7.387193
  H      -0.821137     -3.824827      5.873139
  H      -3.303578     -3.448457      6.366238
  H      -3.087845     -6.056040      7.945156
  H      -3.363135     -4.432785      8.626970
  H      -4.977435     -5.457426      6.427781
  H      -5.462560     -7.737094      7.019946
  H      -7.130729     -9.077979      8.306815
  H      -8.381694     -8.050568     10.183255
  H      -9.114424     -6.337148     11.582596
  H      -6.343365     -4.304774      9.456557
  N      -4.811869     -3.141014      4.465549
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.256389168669
  N      -3.538001     -4.148640      2.119293
  C      -3.059996     -5.185493      1.206753
  C      -2.515531     -6.379082      1.988374
  N      -3.449366     -6.767463      3.050408
  C      -4.677455     -7.412001      2.570898
  C      -5.829015     -7.192315      3.545019
  N      -5.961408     -5.783698      3.919660
  Mo     -4.301255     -4.641905      3.892038
  N      -2.997143     -5.179095      5.295953
  C      -2.165600     -6.373126      5.126572
  C      -2.836423     -7.406114      4.219356
  H      -1.985794     -6.862980      6.098272
  H      -1.169679     -6.095780      4.729968
  H      -3.643849     -7.890864      4.786524
  H      -2.114861     -8.194012      3.928690
  H      -6.745579     -7.555530      3.050010
  H      -5.692980     -7.836583      4.438758
  H      -4.934503     -6.944614      1.609612
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  H      -2.241289     -4.807363      0.573439
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  H      -1.575606     -6.077047      2.473637
  H      -2.288914     -7.221126      1.305047
  C      -2.880242     -0.892657      0.134145
  C      -2.841702     -2.399133      0.428873
  C      -3.823755     -2.818802      1.531598
  C      -5.332787     -2.702876      1.104391
  N      -6.039592     -1.632621      1.780695
  C      -6.335184     -0.393113      1.251151
  C      -6.446849     -0.152846     -0.134432
  C      -6.782941      1.118464     -0.598029
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  C      -9.270603     -6.215204      5.901793
  C      -8.265661     -6.514469      4.781766
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  C      -7.762092     -4.078459      4.287550
  N      -7.674319     -3.124838      5.376359
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  C      -8.070288      0.468267      6.095898
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  C      -3.526770     -5.084182      7.719029
  N      -4.950637     -5.160528      7.377232
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  C      -7.369545     -6.119262     10.031757
  S      -8.165540     -5.294625     11.381960
  C      -6.453033     -5.377000      9.276390
  H      -2.135350     -0.621256     -0.629704
  H      -2.656050     -0.309398      1.043646
  H      -3.868339     -0.563675     -0.233731
  H      -1.820967     -2.671078      0.758601
  H      -3.043124     -2.967859     -0.497371
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  H      -5.435463     -2.577952      0.017612
  H      -5.823203     -3.655971      1.374992
  H      -5.926431     -1.651400      2.793715
  H      -6.286002     -0.956774     -0.849409
  H      -6.856843      1.288051     -1.674556
  H      -7.299869      3.161598     -0.109614
  H      -7.309555      4.229722      1.946700
  H      -6.492497      0.507161      3.209865
  H     -10.037849     -6.997369      5.955034
  H      -9.782614     -5.250038      5.755549
  H      -8.762381     -6.174935      6.877913
  H      -8.781310     -6.582332      3.809253
  H      -7.816980     -7.499557      4.977746
  H      -6.855629     -5.311629      5.767364
  H      -8.825687     -4.200983      4.004679
  H      -7.219836     -3.717363      3.384026
  H      -6.814788     -3.225519      5.911802
  H      -9.215956     -2.088932      3.394077
  H      -9.946971      0.272420      3.276580
  H      -9.232547      1.925446      4.981665
  H      -8.050458      2.705758      6.825899
  H      -6.999292     -1.188552      6.990688
  H      -0.368412     -6.017023      7.156633
  H      -0.902386     -5.227951      8.652824
  H       0.529840     -4.641223      7.798828
  H      -1.358734     -3.106632      7.424504
  H      -0.834406     -3.815573      5.907250
  H      -3.319576     -3.468194      6.371491
  H      -3.101607     -6.085227      7.928300
  H      -3.392039     -4.472112      8.624523
  H      -4.991637     -5.503985      6.412748
  H      -5.557601     -7.761093      6.997859
  H      -7.211630     -9.079316      8.330361
  H      -8.362998     -8.039874     10.263289
  H      -8.929595     -6.327738     11.746067
  H      -6.275621     -4.317474      9.487671
  N      -4.807788     -3.149837      4.468582
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7128.071486192478
  N      -3.559223     -4.153428      2.114504
  C      -3.086519     -5.189743      1.200343
  C      -2.528197     -6.378680      1.978556
  N      -3.446601     -6.769182      3.052988
  C      -4.675749     -7.422968      2.590059
  C      -5.818430     -7.202620      3.573584
  N      -5.959468     -5.791799      3.933996
  Mo     -4.300444     -4.646040      3.894754
  N      -2.991197     -5.178471      5.293242
  C      -2.146273     -6.361020      5.114217
  C      -2.814435     -7.401827      4.214883
  H      -1.946218     -6.847828      6.083238
  H      -1.159760     -6.071266      4.703096
  H      -3.610209     -7.896502      4.789857
  H      -2.086126     -8.180395      3.915309
  H      -6.735913     -7.579377      3.091992
  H      -5.666465     -7.835525      4.472712
  H      -4.944713     -6.962431      1.628764
  H      -4.527946     -8.506879      2.414689
  H      -2.276026     -4.810252      0.557373
  H      -3.893896     -5.515554      0.512410
  H      -1.583026     -6.072771      2.450811
  H      -2.307346     -7.221286      1.293795
  C      -2.892979     -0.899723      0.142359
  C      -2.845383     -2.400549      0.436588
  C      -3.832670     -2.819811      1.533067
  C      -5.335788     -2.686630      1.099567
  N      -6.034662     -1.617224      1.784185
  C      -6.329740     -0.374380      1.262422
  C      -6.432829     -0.123207     -0.123910
  C      -6.763933      1.152076     -0.580839
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  S      -7.222930      3.224378      2.872214
  C      -6.575532      0.691170      2.152723
  C      -9.294766     -6.201890      5.875604
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  C      -7.175319     -5.441785      4.723137
  C      -7.758141     -4.080940      4.278963
  N      -7.666350     -3.118307      5.359307
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  C      -8.926183     -1.399151      4.149064
  C      -9.340267     -0.068509      4.075151
  C      -8.928734      0.882895      5.007866
  C      -8.061762      0.483363      6.036357
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  C      -7.642330     -0.843824      6.131460
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  C      -1.340072     -4.043132      6.875354
  C      -2.801001     -4.423492      6.551209
  C      -3.532389     -5.115307      7.715094
  N      -4.955793     -5.208964      7.369442
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  C      -7.339044     -6.137356     10.064855
  S      -8.112440     -5.301107     11.422498
  C      -6.428291     -5.408026      9.290887
  H      -2.148238     -0.626858     -0.618879
  H      -2.678002     -0.314599      1.050501
  H      -3.878710     -0.579208     -0.226337
  H      -1.827572     -2.667340      0.769091
  H      -3.038683     -2.968997     -0.489739
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  H      -5.431553     -2.550122      0.013649
  H      -5.835277     -3.638936      1.352352
  H      -5.923849     -1.644861      2.797172
  H      -6.268728     -0.921730     -0.845588
  H      -6.831267      1.330091     -1.657741
  H      -7.276879      3.192639     -0.081618
  H      -7.312295      4.242700      1.989083
  H      -6.497045      0.510599      3.226873
  H     -10.070772     -6.975626      5.918664
  H      -9.794737     -5.236367      5.721365
  H      -8.800126     -6.164858      6.855161
  H      -8.778222     -6.583054      3.797178
  H      -7.836879     -7.494526      4.984215
  H      -6.870398     -5.310799      5.772270
  H      -8.821057     -4.200460      3.996844
  H      -7.213758     -3.731546      3.375110
  H      -6.800477     -3.210001      5.883997
  H      -9.239895     -2.111517      3.387850
  H      -9.983518      0.243982      3.251694
  H      -9.249650      1.921469      4.924040
  H      -8.058316      2.718553      6.756665
  H      -6.969326     -1.157359      6.934982
  H      -0.333191     -5.991034      7.133372
  H      -0.893385     -5.251375      8.646157
  H       0.530052     -4.608257      7.811077
  H      -1.387772     -3.106378      7.453461
  H      -0.850414     -3.779327      5.924013
  H      -3.340290     -3.481633      6.381665
  H      -3.095350     -6.113571      7.919368
  H      -3.409781     -4.509183      8.625729
  H      -4.995244     -5.557728      6.407102
  H      -5.581526     -7.802952      7.017442
  H      -7.219496     -9.098174      8.387011
  H      -8.339256     -8.044565     10.328842
  H      -8.951428     -6.309223     11.758945
  H      -6.243723     -4.350772      9.491580
  N      -4.806182     -3.155104      4.475494
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.257112121871
  N      -3.582349     -4.158129      2.109560
  C      -3.115710     -5.193841      1.193354
  C      -2.541440     -6.377595      1.967284
  N      -3.442087     -6.770786      3.055625
  C      -4.672155     -7.435039      2.611442
  C      -5.804767     -7.214280      3.605653
  N      -5.955657     -5.801390      3.950962
  Mo     -4.298179     -4.650690      3.898103
  N      -2.982525     -5.177744      5.290089
  C      -2.123037     -6.347337      5.099745
  C      -2.788218     -7.396695      4.209074
  H      -1.900353     -6.830590      6.065331
  H      -1.147503     -6.043839      4.672510
  H      -3.570527     -7.902550      4.792680
  H      -2.052720     -8.164582      3.899031
  H      -6.723032     -7.605779      3.139077
  H      -5.634978     -7.834713      4.510123
  H      -4.954688     -6.982252      1.650396
  H      -4.519375     -8.519148      2.441862
  H      -2.314827     -4.812703      0.539395
  H      -3.930141     -5.525507      0.516431
  H      -1.590539     -6.067233      2.424714
  H      -2.327056     -7.220733      1.280851
  C      -2.910813     -0.908068      0.150310
  C      -2.851710     -2.402040      0.444522
  C      -3.843361     -2.820912      1.534926
  C      -5.339794     -2.669822      1.095637
  N      -6.030549     -1.601936      1.789480
  C      -6.326146     -0.355825      1.276293
  C      -6.420265     -0.093166     -0.110691
  C      -6.746651      1.186168     -0.560364
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  C      -6.912126      1.973087      1.703126
  S      -7.214776      3.232478      2.903913
  C      -6.576686      0.702433      2.174226
  C      -9.320172     -6.189168      5.845560
  C      -8.286998     -6.507732      4.767565
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  H      -2.167305     -0.633521     -0.608812
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  H      -5.922158     -1.638826      2.802239
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  H      -6.807069      1.373094     -1.637565
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  H      -8.813920     -4.200222      3.989540
  H      -7.204986     -3.747396      3.368114
  H      -6.783639     -3.195268      5.856751
  H      -9.261414     -2.134783      3.383704
  H     -10.016877      0.214541      3.228604
  H      -9.262919      1.915861      4.866867
  H      -8.063459      2.726921      6.691018
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  H      -0.292046     -5.962552      7.107024
  H      -0.878826     -5.279295      8.637448
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  H      -1.415855     -3.108772      7.485703
  H      -0.865659     -3.740896      5.942871
  H      -3.359486     -3.497116      6.393210
  H      -3.085864     -6.145526      7.909526
  H      -3.426035     -4.551115      8.626965
  H      -4.995823     -5.617025      6.400370
  H      -5.601693     -7.848577      7.044296
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  H      -8.325056     -8.038488     10.392481
  H      -8.994925     -6.266790     11.753567
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7068.023803472566
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  C      -2.533945     -6.386910      1.962210
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  Mo     -4.289461     -4.650332      3.901109
  N      -2.972771     -5.193947      5.293165
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  C      -2.797977     -7.412796      4.200661
  H      -1.908727     -6.860954      6.063716
  H      -1.143948     -6.074465      4.677765
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  H      -2.322798     -7.228846      1.274447
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  C      -3.816719     -2.810776      1.544832
  C      -5.329978     -2.665747      1.109000
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  H      -2.018275     -0.621839     -0.605013
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  H      -6.537726      0.521475      3.247817
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  H      -7.195181     -3.726143      3.368166
  H      -6.788482     -3.186101      5.879136
  H      -9.257562     -2.144643      3.377813
  H     -10.041824      0.200763      3.232133
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  H      -0.835075     -3.820262      5.961066
  H      -3.313005     -3.514823      6.407646
  H      -3.082304     -6.148131      7.903112
  H      -3.380707     -4.554352      8.633449
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  H      -8.344692     -7.976089     10.350689
  H      -8.794502     -6.170921     11.818720
  H      -6.126623     -4.308619      9.540705
  N      -4.785915     -3.161926      4.491032
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.224469897306
  N      -3.541870     -4.153607      2.121891
  C      -3.078379     -5.190727      1.191381
  C      -2.525008     -6.392833      1.958218
  N      -3.442706     -6.779308      3.037912
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  C      -5.821521     -7.199721      3.569732
  N      -5.944140     -5.782019      3.930498
  Mo     -4.281684     -4.648716      3.904273
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  C      -2.805206     -7.425636      4.192959
  H      -1.915518     -6.886678      6.062705
  H      -1.139900     -6.099828      4.683602
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  H      -2.315504     -7.233743      1.269790
  C      -2.680983     -0.846432      0.137533
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  C      -5.323600     -2.662540      1.121617
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  H      -1.873866     -0.614952     -0.603357
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  H      -6.942448      1.279635     -1.609618
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  H      -6.571595      0.528453      3.248351
  H     -10.033869     -7.079511      5.852393
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  H      -9.251218     -2.150273      3.374800
  H     -10.053337      0.195210      3.242259
  H      -9.376293      1.900940      4.918144
  H      -8.251149      2.792806      6.693350
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  H      -0.988168     -5.396953      8.599690
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  H      -1.344462     -3.234039      7.502561
  H      -0.808311     -3.895488      5.980378
  H      -3.268964     -3.530221      6.421615
  H      -3.081252     -6.147388      7.897138
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  H      -4.982365     -5.503968      6.426401
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  H      -8.597905     -6.072211     11.868598
  H      -6.038199     -4.234253      9.592724
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.230585979087
  N      -3.535452     -4.154428      2.124281
  C      -3.065957     -5.192200      1.199242
  C      -2.512225     -6.389907      1.972087
  N      -3.436325     -6.778009      3.045195
  C      -4.670940     -7.424076      2.575004
  C      -5.816841     -7.202692      3.556979
  N      -5.942743     -5.788376      3.925335
  Mo     -4.283090     -4.648781      3.902327
  N      -2.969777     -5.197304      5.300862
  C      -2.130360     -6.385503      5.114082
  C      -2.806958     -7.420445      4.207350
  H      -1.931716     -6.875919      6.081358
  H      -1.143515     -6.096329      4.704983
  H      -3.604038     -7.913836      4.780855
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  H      -2.294145     -7.231615      1.286720
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  C      -5.319587     -2.678245      1.114186
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  H      -1.931221     -0.618497     -0.610061
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  H      -9.203109     -2.100497      3.383522
  H      -9.984740      0.243464      3.297791
  H      -9.318067      1.890995      5.026395
  H      -8.117465      2.753012      6.767862
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  H      -0.381077     -6.082773      7.128528
  H      -0.965594     -5.339755      8.616192
  H       0.478403     -4.740611      7.845992
  H      -1.358688     -3.185889      7.487359
  H      -0.820000     -3.854316      5.967691
  H      -3.287089     -3.510777      6.409722
  H      -3.082197     -6.128045      7.905293
  H      -3.353728     -4.531314      8.636769
  H      -4.980835     -5.509227      6.422584
  H      -5.818555     -7.709693      6.872583
  H      -7.529984     -8.975200      8.216498
  H      -8.405283     -7.893407     10.294661
  H      -8.552389     -6.109771     11.916426
  H      -6.040155     -4.241449      9.596138
  N      -4.786657     -3.158756      4.486617
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.239405018821
  N      -3.538954     -4.155824      2.116389
  C      -3.065280     -5.193626      1.193980
  C      -2.508498     -6.388289      1.969743
  N      -3.432886     -6.778404      3.042677
  C      -4.664537     -7.428899      2.571473
  C      -5.813454     -7.208770      3.550074
  N      -5.943691     -5.795416      3.919124
  Mo     -4.286352     -4.650488      3.893453
  N      -2.974620     -5.190964      5.295160
  C      -2.132409     -6.378725      5.114129
  C      -2.803912     -7.417019      4.207694
  H      -1.935135     -6.866554      6.083227
  H      -1.144722     -6.089256      4.706459
  H      -3.601187     -7.911877      4.780176
  H      -2.078355     -8.195343      3.907454
  H      -6.732497     -7.576620      3.059146
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  H      -4.928194     -6.965999      1.609340
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  H      -1.564470     -6.083195      2.446210
  H      -2.286693     -7.230154      1.285424
  C      -2.734622     -0.859302      0.141271
  C      -2.773791     -2.395272      0.458288
  C      -3.801521     -2.810652      1.538452
  C      -5.322132     -2.683523      1.098993
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  C      -9.329169     -6.271912      5.744093
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  C      -8.874465     -1.385351      4.191852
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  C      -8.928721      0.859797      5.141529
  C      -8.103077      0.428560      6.191991
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  C      -2.779623     -4.441067      6.557228
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  N      -4.922070     -5.162975      7.367265
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  C      -7.669150     -7.325572      9.733474
  C      -7.265101     -5.985697     10.111362
  S      -7.867006     -5.133537     11.537200
  C      -6.353500     -5.282499      9.324421
  H      -1.944402     -0.611563     -0.603627
  H      -2.509791     -0.277165      1.065347
  H      -3.716256     -0.472045     -0.277002
  H      -1.755440     -2.702130      0.836900
  H      -2.964493     -2.966264     -0.480111
  H      -3.666579     -2.105176      2.381762
  H      -5.414261     -2.543412      0.012695
  H      -5.819418     -3.643292      1.358722
  H      -5.942313     -1.635283      2.788984
  H      -6.332469     -0.982281     -0.833101
  H      -6.953188      1.234715     -1.670527
  H      -7.425087      3.121066     -0.130845
  H      -7.435166      4.219378      1.861662
  H      -6.592429      0.514111      3.202526
  H     -10.102475     -7.061251      5.726221
  H      -9.831176     -5.279046      5.602536
  H      -8.871209     -6.267606      6.766286
  H      -8.724607     -6.586289      3.653002
  H      -7.824279     -7.542851      4.861308
  H      -6.887127     -5.366401      5.761055
  H      -8.788637     -4.174314      3.970422
  H      -7.167047     -3.703332      3.383218
  H      -6.800487     -3.242655      5.942413
  H      -9.152618     -2.070625      3.388425
  H      -9.902768      0.282555      3.317307
  H      -9.254339      1.892697      5.086060
  H      -8.102485      2.689374      6.902730
  H      -7.037305     -1.236723      7.070328
  H      -0.390409     -6.061597      7.132964
  H      -0.978108     -5.317328      8.620473
  H       0.466995     -4.717119      7.851161
  H      -1.371909     -3.165831      7.480978
  H      -0.827838     -3.838830      5.964375
  H      -3.296413     -3.498173      6.393658
  H      -3.092869     -6.106857      7.910844
  H      -3.377104     -4.504892      8.624725
  H      -4.985400     -5.517577      6.411800
  H      -5.796450     -7.717678      6.905575
  H      -7.486124     -8.973804      8.275115
  H      -8.385697     -7.876898     10.329549
  H      -8.635313     -6.078650     11.890122
  H      -6.071226     -4.227747      9.561650
  N      -4.794284     -3.160732      4.473353
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.249159564284
  N      -3.552612     -4.153818      2.119556
  C      -3.068614     -5.183443      1.197678
  C      -2.501239     -6.374598      1.968427
  N      -3.419109     -6.776080      3.041936
  C      -4.644858     -7.437534      2.574380
  C      -5.794001     -7.225560      3.553592
  N      -5.940318     -5.814717      3.917039
  Mo     -4.290263     -4.658665      3.891216
  N      -2.979805     -5.191040      5.292436
  C      -2.124107     -6.366217      5.109482
  C      -2.782215     -7.408763      4.202826
  H      -1.919405     -6.853545      6.076968
  H      -1.140448     -6.064690      4.700552
  H      -3.573325     -7.914559      4.773755
  H      -2.046803     -8.176714      3.900103
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  H      -5.645257     -7.863097      4.451892
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  H      -2.273191     -7.212333      1.280507
  C      -2.835349     -0.877415      0.144525
  C      -2.795568     -2.383545      0.466861
  C      -3.813768     -2.811375      1.542450
  C      -5.320699     -2.676577      1.088374
  N      -6.039175     -1.618019      1.769340
  C      -6.365288     -0.385942      1.247348
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  C      -6.828529      1.122019     -0.588924
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  C      -8.893212      0.856027      5.099888
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  C      -7.271476     -5.971275     10.130515
  S      -7.875902     -5.093669     11.541674
  C      -6.357700     -5.291287      9.323409
  H      -2.067688     -0.609293     -0.605575
  H      -2.644699     -0.278427      1.056241
  H      -3.819694     -0.555889     -0.259578
  H      -1.780160     -2.639021      0.841154
  H      -2.954336     -2.965647     -0.464308
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  H      -5.940946     -1.643429      2.786090
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  H      -6.899776      1.292088     -1.660229
  H      -7.386067      3.155624     -0.092053
  H      -7.449554      4.217557      1.941397
  H      -6.570944      0.502713      3.208886
  H     -10.132003     -7.061649      5.664931
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  H      -8.721331     -6.584681      3.620661
  H      -7.848564     -7.556804      4.831240
  H      -6.896691     -5.399498      5.757165
  H      -8.783467     -4.185561      3.978885
  H      -7.161060     -3.720422      3.389373
  H      -6.777527     -3.260281      5.923676
  H      -9.192793     -2.117420      3.425556
  H      -9.923893      0.245983      3.324944
  H      -9.205848      1.900553      5.026880
  H      -8.044649      2.688668      6.855842
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  H      -0.345990     -6.024330      7.109823
  H      -0.954379     -5.328228      8.617239
  H       0.478777     -4.666996      7.850759
  H      -1.410635     -3.154347      7.496906
  H      -0.853718     -3.793225      5.964498
  H      -3.334124     -3.506122      6.395546
  H      -3.100578     -6.129336      7.909853
  H      -3.411637     -4.531321      8.624404
  H      -4.998677     -5.573884      6.402620
  H      -5.828966     -7.752613      6.954129
  H      -7.516056     -8.960546      8.361023
  H      -8.410736     -7.835428     10.394130
  H      -8.603128     -6.051703     11.958623
  H      -6.071378     -4.239567      9.534782
  N      -4.807460     -3.177552      4.473474
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.254400200483
  N      -3.559294     -4.166145      2.111272
  C      -3.079448     -5.196030      1.191129
  C      -2.507084     -6.382463      1.963323
  N      -3.419975     -6.783577      3.039090
  C      -4.644007     -7.448669      2.577209
  C      -5.789857     -7.235722      3.558991
  N      -5.940566     -5.824543      3.916335
  Mo     -4.292012     -4.667328      3.885508
  N      -2.981025     -5.195315      5.284694
  C      -2.123287     -6.367818      5.101699
  C      -2.780537     -7.412915      4.198982
  H      -1.914939     -6.852990      6.069490
  H      -1.141447     -6.065187      4.688924
  H      -3.570081     -7.919957      4.771591
  H      -2.043326     -8.180037      3.895840
  H      -6.703623     -7.619889      3.074697
  H      -5.637222     -7.868632      4.459571
  H      -4.917288     -6.993476      1.614319
  H      -4.487517     -8.531822      2.404666
  H      -2.276340     -4.806812      0.545338
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  H      -1.564070     -6.068329      2.434785
  H      -2.279540     -7.220937      1.276235
  C      -2.823625     -0.878259      0.180102
  C      -2.799664     -2.393170      0.467460
  C      -3.814686     -2.822304      1.539431
  C      -5.315499     -2.675572      1.081305
  N      -6.025234     -1.615209      1.769876
  C      -6.339362     -0.374982      1.255352
  C      -6.437105     -0.115351     -0.124347
  C      -6.788826      1.156924     -0.571152
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  C      -9.366892     -6.262977      5.675285
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  C      -7.722167     -4.099532      4.257286
  N      -7.644967     -3.165858      5.364503
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  N      -4.947778     -5.232893      7.345832
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  S      -7.832792     -5.077040     11.570994
  C      -6.339212     -5.297222      9.328114
  H      -2.061551     -0.604254     -0.568170
  H      -2.614306     -0.300309      1.099480
  H      -3.806737     -0.536876     -0.207395
  H      -1.785622     -2.673012      0.826581
  H      -2.978103     -2.954046     -0.470874
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  H      -6.261446     -0.904997     -0.846519
  H      -6.859637      1.339403     -1.640541
  H      -7.353047      3.182198     -0.052570
  H      -7.434989      4.216304      2.014958
  H      -6.564870      0.486554      3.229752
  H     -10.151835     -7.033731      5.639096
  H      -9.847691     -5.273677      5.530969
  H      -8.931821     -6.270710      6.694255
  H      -8.722907     -6.583636      3.610255
  H      -7.864237     -7.545331      4.830769
  H      -6.909880     -5.398249      5.743133
  H      -8.783126     -4.197959      3.958148
  H      -7.160989     -3.734325      3.367681
  H      -6.773081     -3.255595      5.886885
  H      -9.233792     -2.144839      3.418550
  H     -10.006820      0.199256      3.336004
  H      -9.290377      1.863895      5.031949
  H      -7.990880      2.708188      6.755786
  H      -6.975891     -1.215856      6.979749
  H      -0.313273     -5.994129      7.088741
  H      -0.926204     -5.319410      8.607659
  H       0.497031     -4.623379      7.836264
  H      -1.416339     -3.140809      7.486491
  H      -0.861716     -3.770632      5.946383
  H      -3.344402     -3.509305      6.382083
  H      -3.094369     -6.132901      7.910837
  H      -3.419777     -4.532165      8.615544
  H      -4.995060     -5.612779      6.396455
  H      -5.851078     -7.760688      6.980138
  H      -7.518751     -8.937268      8.422919
  H      -8.387247     -7.806188     10.457567
  H      -8.600407     -6.032487     11.999990
  H      -6.044295     -4.252370      9.527851
  N      -4.807033     -3.180785      4.467569
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.257033681659
  N      -3.566270     -4.178152      2.098613
  C      -3.093654     -5.212744      1.182142
  C      -2.511008     -6.391747      1.958027
  N      -3.412345     -6.789827      3.043785
  C      -4.636522     -7.462377      2.596375
  C      -5.776128     -7.244146      3.583243
  N      -5.932825     -5.830350      3.926352
  Mo     -4.283041     -4.672072      3.882957
  N      -2.968386     -5.192080      5.279639
  C      -2.104740     -6.359528      5.095429
  C      -2.761498     -7.412037      4.201490
  H      -1.885559     -6.839273      6.063531
  H      -1.128139     -6.053118      4.672977
  H      -3.544454     -7.922308      4.780697
  H      -2.021238     -8.176148      3.895168
  H      -6.688974     -7.638133      3.107071
  H      -5.615319     -7.866377      4.489588
  H      -4.917782     -7.016488      1.631377
  H      -4.477376     -8.546422      2.432332
  H      -2.297343     -4.827124      0.526002
  H      -3.906959     -5.551296      0.507751
  H      -1.564412     -6.072818      2.418684
  H      -2.288018     -7.233756      1.273702
  C      -2.834741     -0.901216      0.179218
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  C      -3.814640     -2.834341      1.528901
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.258669632524
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  C      -2.755939     -7.402641      4.189893
  H      -1.888952     -6.829836      6.055358
  H      -1.133628     -6.033526      4.670192
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.259944160560
  N      -3.564033     -4.173083      2.110318
  C      -3.094915     -5.199612      1.183474
  C      -2.506814     -6.382720      1.949036
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  C      -2.750873     -7.415749      4.189601
  H      -1.885236     -6.851202      6.058076
  H      -1.123691     -6.055095      4.675439
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  H     -10.206559     -6.986603      5.555571
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  H      -3.071429     -6.136645      7.934539
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.260527412428
  N      -3.573010     -4.178684      2.106016
  C      -3.114788     -5.207155      1.177184
  C      -2.518101     -6.388002      1.939152
  N      -3.403771     -6.795499      3.034306
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  C      -5.762670     -7.264265      3.593420
  N      -5.927384     -5.851278      3.933138
  Mo     -4.281825     -4.688564      3.888320
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  C      -2.735791     -7.416674      4.182583
  H      -1.854189     -6.848857      6.042753
  H      -1.111046     -6.047900      4.652458
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  H      -7.340323      3.224341      0.094046
  H      -7.294689      4.231695      2.189421
  H      -6.547301      0.457124      3.318123
  H     -10.213710     -6.970885      5.539502
  H      -9.852737     -5.235207      5.452073
  H      -9.000579     -6.252472      6.628918
  H      -8.721332     -6.580715      3.575001
  H      -7.911364     -7.534889      4.826986
  H      -6.935108     -5.398023      5.732269
  H      -8.756257     -4.216091      3.900071
  H      -7.145589     -3.785099      3.319392
  H      -6.727668     -3.202575      5.775955
  H      -9.333138     -2.229752      3.387998
  H     -10.203359      0.073008      3.292415
  H      -9.469704      1.794939      4.922365
  H      -8.073101      2.708108      6.551712
  H      -6.906142     -1.131574      6.790327
  H      -0.226037     -5.958330      7.048558
  H      -0.887478     -5.368273      8.584330
  H       0.520613     -4.582544      7.866468
  H      -1.415678     -3.151947      7.511713
  H      -0.848831     -3.738935      5.956537
  H      -3.335795     -3.528194      6.378867
  H      -3.043443     -6.153545      7.931576
  H      -3.438805     -4.551965      8.599524
  H      -4.942791     -5.762694      6.387741
  H      -6.026224     -7.760391      6.975895
  H      -7.716819     -8.807921      8.476252
  H      -8.425570     -7.664305     10.558953
  H      -8.510820     -5.939768     12.127067
  H      -5.849771     -4.321334      9.556095
  N      -4.790556     -3.202828      4.484409
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.261382542969
  N      -3.576561     -4.182492      2.109679
  C      -3.125955     -5.208493      1.174449
  C      -2.524217     -6.391577      1.928958
  N      -3.403219     -6.802150      3.028471
  C      -4.627062     -7.487408      2.600529
  C      -5.760900     -7.274213      3.595951
  N      -5.926193     -5.860884      3.933604
  Mo     -4.281985     -4.698959      3.890641
  N      -2.949658     -5.217583      5.273574
  C      -2.074879     -6.373124      5.070768
  C      -2.727704     -7.424170      4.172694
  H      -1.843175     -6.859538      6.032700
  H      -1.104970     -6.052578      4.643010
  H      -3.495778     -7.953481      4.754860
  H      -1.980267     -8.175176      3.850053
  H      -6.672148     -7.677028      3.124883
  H      -5.589839     -7.891878      4.502993
  H      -4.925102     -7.051881      1.635874
  H      -4.459460     -8.570917      2.441496
  H      -2.346897     -4.816901      0.501283
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  H      -1.570672     -6.073045      2.375113
  H      -2.311443     -7.227430      1.233801
  C      -2.818844     -0.879352      0.268805
  C      -2.807193     -2.394236      0.496990
  C      -3.819173     -2.830296      1.562947
  C      -5.308259     -2.651181      1.104061
  N      -6.008503     -1.614359      1.834828
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  C      -6.425546     -0.047189     -0.005678
  C      -6.773876      1.241327     -0.407405
  C      -7.043176      2.250706      0.514449
  C      -6.954934      1.946163      1.882130
  S      -7.299824      3.160800      3.130088
  C      -6.602951      0.664504      2.304618
  C      -9.407031     -6.235493      5.605643
  C      -8.300819     -6.547647      4.597893
  C      -7.176597     -5.497751      4.652715
  C      -7.711478     -4.128988      4.181425
  N      -7.624121     -3.147537      5.247212
  C      -8.101327     -1.857728      5.074896
  C      -9.042652     -1.522617      4.080181
  C      -9.541905     -0.224129      4.012014
  C      -9.127972      0.768451      4.899952
  C      -8.158843      0.450080      5.863546
  S      -7.533167      1.656020      7.009045
  C      -7.650327     -0.844567      5.949056
  C      -0.430089     -5.053479      7.626479
  C      -1.331754     -4.062210      6.889984
  C      -2.778912     -4.476195      6.539887
  C      -3.503637     -5.193774      7.695045
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  C      -6.391866     -7.230694      7.885275
  C      -7.342613     -7.789824      8.741125
  C      -7.705979     -7.145846      9.923341
  C      -7.118703     -5.904836     10.235378
  S      -7.535700     -4.996483     11.701309
  C      -6.184257     -5.331086      9.365375
  H      -2.061664     -0.589992     -0.473710
  H      -2.597669     -0.340473      1.202539
  H      -3.796597     -0.519775     -0.091828
  H      -1.799405     -2.702009      0.827656
  H      -3.003346     -2.914320     -0.455282
  H      -3.692379     -2.151906      2.417209
  H      -5.365087     -2.444600      0.028361
  H      -5.831062     -3.608113      1.272451
  H      -5.915235     -1.694442      2.848029
  H      -6.250068     -0.812252     -0.761169
  H      -6.844849      1.462372     -1.474288
  H      -7.327432      3.248889      0.182463
  H      -7.255992      4.230894      2.296333
  H      -6.543975      0.434828      3.371247
  H     -10.211354     -6.980517      5.541098
  H      -9.856192     -5.245990      5.446054
  H      -9.005659     -6.256305      6.627815
  H      -8.713116     -6.602020      3.575883
  H      -7.901179     -7.543481      4.836899
  H      -6.938982     -5.390745      5.725111
  H      -8.766327     -4.234000      3.886647
  H      -7.159699     -3.812287      3.280465
  H      -6.718428     -3.177247      5.713586
  H      -9.371090     -2.268612      3.356795
  H     -10.264212      0.024817      3.232238
  H      -9.524737      1.778384      4.826336
  H      -8.093976      2.728404      6.409606
  H      -6.895441     -1.094177      6.700050
  H      -0.200339     -5.949614      7.035292
  H      -0.875624     -5.382342      8.571711
  H       0.525299     -4.570315      7.870133
  H      -1.419102     -3.158303      7.514717
  H      -0.849085     -3.731982      5.958373
  H      -3.335100     -3.541566      6.377871
  H      -3.019793     -6.162421      7.937702
  H      -3.438445     -4.562053      8.593304
  H      -4.920557     -5.816292      6.391402
  H      -6.095125     -7.755225      6.974191
  H      -7.801035     -8.751981      8.490958
  H      -8.439579     -7.599936     10.593698
  H      -8.426962     -5.893668     12.182553
  H      -5.768771     -4.340248      9.570006
  N      -4.790677     -3.213463      4.494010
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.262273255439
  N      -3.567428     -4.176863      2.118009
  C      -3.122444     -5.198962      1.172804
  C      -2.515733     -6.387103      1.917370
  N      -3.392957     -6.806025      3.016731
  C      -4.614105     -7.495766      2.585268
  C      -5.754305     -7.287298      3.575459
  N      -5.922307     -5.874671      3.918421
  Mo     -4.282691     -4.710898      3.890163
  N      -2.945129     -5.229810      5.272174
  C      -2.065398     -6.382204      5.065254
  C      -2.713837     -7.430901      4.159162
  H      -1.836228     -6.873502      6.025451
  H      -1.094887     -6.056132      4.643529
  H      -3.479465     -7.967679      4.737891
  H      -1.963371     -8.177203      3.832692
  H      -6.661867     -7.688436      3.097303
  H      -5.587864     -7.909385      4.480178
  H      -4.911504     -7.062551      1.619554
  H      -4.441443     -8.578467      2.426977
  H      -2.347864     -4.803100      0.496969
  H      -3.955591     -5.532451      0.520229
  H      -1.562686     -6.068388      2.364418
  H      -2.302143     -7.218773      1.217382
  C      -2.815964     -0.862152      0.301959
  C      -2.793740     -2.371959      0.516773
  C      -3.810005     -2.820349      1.577124
  C      -5.298535     -2.640755      1.110517
  N      -6.008311     -1.617094      1.846783
  C      -6.328622     -0.359308      1.380237
  C      -6.428663     -0.053269      0.005430
  C      -6.775578      1.234624     -0.400028
  C      -7.035253      2.248121      0.518827
  C      -6.943701      1.947215      1.888272
  S      -7.274264      3.172351      3.130259
  C      -6.601264      0.664085      2.316170
  C      -9.406057     -6.254618      5.592920
  C      -8.293855     -6.569316      4.586155
  C      -7.176868     -5.511501      4.634700
  C      -7.720592     -4.142977      4.156949
  N      -7.626810     -3.155056      5.219087
  C      -8.117652     -1.872830      5.060318
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  C      -9.577393     -0.241164      4.015486
  C      -9.170273      0.741891      4.911148
  C      -8.191066      0.420010      5.870167
  S      -7.574881      1.613891      7.026712
  C      -7.666617     -0.868160      5.940228
  C      -0.420275     -5.068992      7.614299
  C      -1.331811     -4.073576      6.889874
  C      -2.776595     -4.489324      6.538162
  C      -3.497569     -5.207553      7.692183
  N      -4.884976     -5.435271      7.303760
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  C      -7.429476     -7.703004      8.753770
  C      -7.739497     -7.050824      9.946515
  C      -7.082706     -5.847665     10.253506
  S      -7.425624     -4.930615     11.731896
  C      -6.132722     -5.320271      9.373389
  H      -2.058087     -0.560301     -0.437890
  H      -2.604401     -0.332529      1.243738
  H      -3.792517     -0.511566     -0.056592
  H      -1.787735     -2.673407      0.848582
  H      -2.980547     -2.882880     -0.443619
  H      -3.688999     -2.147150      2.437563
  H      -5.343151     -2.413056      0.038217
  H      -5.821213     -3.601330      1.259869
  H      -5.922722     -1.703474      2.859985
  H      -6.257259     -0.820857     -0.746991
  H      -6.851340      1.451893     -1.467328
  H      -7.317156      3.246953      0.183956
  H      -7.221666      4.237088      2.301488
  H      -6.543418      0.436382      3.384433
  H     -10.208532     -6.999966      5.528673
  H      -9.856319     -5.265465      5.426932
  H      -9.011074     -6.271112      6.617189
  H      -8.703270     -6.632221      3.562852
  H      -7.888475     -7.563004      4.832170
  H      -6.938481     -5.395682      5.707051
  H      -8.779687     -4.249764      3.875944
  H      -7.179657     -3.833484      3.238866
  H      -6.708611     -3.166266      5.661477
  H      -9.395540     -2.272467      3.343676
  H     -10.309703      0.010135      3.239442
  H      -9.581148      1.748098      4.847188
  H      -8.114568      2.687960      6.411072
  H      -6.904047     -1.120879      6.683068
  H      -0.183291     -5.954081      7.009618
  H      -0.862383     -5.416480      8.560416
  H       0.534530     -4.580974      7.864243
  H      -1.425008     -3.177197      7.524085
  H      -0.851763     -3.730643      5.960313
  H      -3.334275     -3.555858      6.378140
  H      -2.995440     -6.160732      7.951446
  H      -3.454437     -4.562684      8.581258
  H      -4.886683     -5.897408      6.394291
  H      -6.211193     -7.727037      6.966954
  H      -7.940461     -8.635360      8.505619
  H      -8.482069     -7.467841     10.628065
  H      -8.329165     -5.801494     12.241639
  H      -5.660315     -4.357407      9.582667
  N      -4.802585     -3.234259      4.504098
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.262966594230
  N      -3.570966     -4.176391      2.124965
  C      -3.129376     -5.193018      1.171925
  C      -2.515495     -6.383227      1.907407
  N      -3.386896     -6.810049      3.009027
  C      -4.605978     -7.505642      2.579407
  C      -5.746390     -7.303753      3.571551
  N      -5.918358     -5.892190      3.916930
  Mo     -4.285072     -4.723201      3.893797
  N      -2.937311     -5.242468      5.268118
  C      -2.052592     -6.388891      5.052979
  C      -2.699733     -7.436245      4.144970
  H      -1.818253     -6.883676      6.010115
  H      -1.085244     -6.055801      4.630003
  H      -3.459547     -7.980071      4.724356
  H      -1.947631     -8.176612      3.811475
  H      -6.653057     -7.707432      3.093880
  H      -5.576538     -7.926760      4.475074
  H      -4.907536     -7.073570      1.614507
  H      -4.427697     -8.587282      2.420117
  H      -2.360054     -4.791447      0.493289
  H      -3.965526     -5.525888      0.523147
  H      -1.561685     -6.063015      2.352009
  H      -2.302196     -7.211219      1.203123
  C      -2.818005     -0.850393      0.333141
  C      -2.802180     -2.364340      0.531663
  C      -3.815409     -2.818578      1.590940
  C      -5.303406     -2.635236      1.125186
  N      -6.014040     -1.620932      1.875036
  C      -6.332824     -0.357054      1.425196
  C      -6.431263     -0.031730      0.054218
  C      -6.772012      1.263464     -0.334072
  C      -7.027060      2.265393      0.600112
  C      -6.938195      1.944313      1.966762
  S      -7.261140      3.154773      3.227700
  C      -6.601150      0.654283      2.375379
  C      -9.402238     -6.264683      5.593375
  C      -8.289102     -6.587870      4.592777
  C      -7.174271     -5.527543      4.631694
  C      -7.721972     -4.166189      4.137699
  N      -7.615480     -3.157993      5.176792
  C      -8.127431     -1.884809      5.006114
  C      -9.108103     -1.573786      4.041591
  C      -9.633009     -0.283000      3.974738
  C      -9.207626      0.724349      4.834602
  C      -8.197406      0.428653      5.768617
  S      -7.562943      1.654298      6.881180
  C      -7.661540     -0.858520      5.853013
  C      -0.401402     -5.078179      7.602613
  C      -1.319166     -4.084133      6.881918
  C      -2.765445     -4.504860      6.535161
  C      -3.478033     -5.227055      7.693105
  N      -4.860023     -5.483829      7.304845
  C      -5.789303     -6.004773      8.199684
  C      -6.505574     -7.174390      7.894985
  C      -7.486807     -7.642787      8.766812
  C      -7.770838     -6.977509      9.959053
  C      -7.065321     -5.803406     10.262270
  S      -7.375752     -4.868868     11.736540
  C      -6.093746     -5.317006      9.382501
  H      -2.067225     -0.545631     -0.409796
  H      -2.594676     -0.330681      1.277700
  H      -3.796107     -0.489777     -0.012399
  H      -1.795562     -2.675141      0.856068
  H      -2.997103     -2.865101     -0.432836
  H      -3.693234     -2.149358      2.454670
  H      -5.344476     -2.388840      0.056638
  H      -5.825360     -3.598640      1.257743
  H      -5.928207     -1.719483      2.886363
  H      -6.262004     -0.789477     -0.709522
  H      -6.845861      1.495867     -1.399526
  H      -7.304030      3.270259      0.279089
  H      -7.196419      4.230323      2.416502
  H      -6.541426      0.411848      3.439607
  H     -10.210165     -7.007253      5.526498
  H      -9.845426     -5.273068      5.421418
  H      -9.010002     -6.280939      6.621849
  H      -8.697911     -6.659704      3.569914
  H      -7.884125     -7.578345      4.847316
  H      -6.933004     -5.398355      5.701927
  H      -8.783442     -4.277022      3.868218
  H      -7.189995     -3.875373      3.210284
  H      -6.682385     -3.149712      5.593118
  H      -9.451451     -2.328294      3.338189
  H     -10.392910     -0.053752      3.223199
  H      -9.630961      1.727970      4.764508
  H      -8.116831      2.714697      6.251431
  H      -6.876505     -1.091615      6.578821
  H      -0.160086     -5.958824      6.992821
  H      -0.842299     -5.433989      8.547314
  H       0.551471     -4.586029      7.857152
  H      -1.413065     -3.189333      7.518972
  H      -0.842874     -3.736771      5.950289
  H      -3.327389     -3.573592      6.379305
  H      -2.958742     -6.168758      7.962174
  H      -3.446662     -4.573862      8.576815
  H      -4.856759     -5.965112      6.404760
  H      -6.277076     -7.718005      6.975206
  H      -8.035710     -8.552480      8.520258
  H      -8.530518     -7.360376     10.641701
  H      -8.309306     -5.706207     12.254261
  H      -5.587106     -4.373140      9.591337
  N      -4.806923     -3.254908      4.518951
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.263688998037
  N      -3.570332     -4.182757      2.125112
  C      -3.133706     -5.200491      1.171678
  C      -2.514086     -6.387493      1.906192
  N      -3.381859     -6.815035      3.009564
  C      -4.598534     -7.516144      2.581255
  C      -5.741841     -7.313933      3.569987
  N      -5.915510     -5.901932      3.912196
  Mo     -4.286733     -4.731514      3.894706
  N      -2.931853     -5.244764      5.264883
  C      -2.043414     -6.387954      5.048515
  C      -2.689901     -7.438714      4.144028
  H      -1.805335     -6.881312      6.005784
  H      -1.078055     -6.052281      4.622396
  H      -3.446118     -7.984736      4.726785
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.264208106707
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.264448477341
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  C      -2.524941     -6.394601      1.921321
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.264776267206
  N      -3.576364     -4.188838      2.140468
  C      -3.154668     -5.212323      1.186537
  C      -2.530016     -6.396391      1.919087
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  Mo     -4.297728     -4.742160      3.911212
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  C      -2.689017     -7.444595      4.156417
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  H      -2.014235     -0.558977     -0.367992
  H      -2.538809     -0.348338      1.321672
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  H      -3.687106     -2.160108      2.477011
  H      -5.290519     -2.341482      0.056094
  H      -5.809110     -3.585181      1.201067
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  H      -6.213787     -0.769880     -0.707649
  H      -6.794766      1.515360     -1.383883
  H      -7.281477      3.277917      0.300882
  H      -7.160513      4.222348      2.438609
  H      -6.549190      0.400362      3.444328
  H     -10.263811     -7.006529      5.408729
  H      -9.914132     -5.277165      5.229390
  H      -9.128417     -6.201709      6.516290
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  H      -7.903031     -7.575234      4.855513
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  H      -8.791305     -4.280352      3.797897
  H      -7.186490     -3.911615      3.153310
  H      -6.668644     -3.128214      5.484159
  H      -9.472943     -2.316405      3.268164
  H     -10.458629     -0.054033      3.235538
  H      -9.751885      1.682346      4.859353
  H      -8.228140      2.665711      6.383179
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  H      -0.087559     -5.871777      6.883553
  H      -0.752547     -5.408165      8.463703
  H       0.596162     -4.499265      7.763591
  H      -1.419926     -3.159255      7.495959
  H      -0.877760     -3.666873      5.904127
  H      -3.354302     -3.603938      6.395962
  H      -2.800674     -6.148256      8.003415
  H      -3.432371     -4.591246      8.572783
  H      -4.735985     -6.218481      6.484030
  H      -6.450486     -7.642308      6.948989
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  H      -8.642989     -7.110737     10.626346
  H      -8.159260     -5.571063     12.315210
  H      -5.293883     -4.545040      9.714837
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265048481348
  N      -3.582600     -4.188094      2.151474
  C      -3.168381     -5.211031      1.193234
  C      -2.538475     -6.395893      1.920475
  N      -3.393772     -6.824873      3.033168
  C      -4.607523     -7.539529      2.615878
  C      -5.748743     -7.329405      3.605574
  N      -5.925406     -5.912377      3.928415
  Mo     -4.299483     -4.745639      3.923957
  N      -2.922129     -5.253743      5.273005
  C      -2.026232     -6.388417      5.044080
  C      -2.684291     -7.446313      4.157073
  H      -1.763979     -6.876579      5.997842
  H      -1.072403     -6.047606      4.596557
  H      -3.430618     -7.990584      4.754454
  H      -1.935419     -8.184985      3.810747
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  H      -5.577131     -7.935004      4.521034
  H      -4.912637     -7.127318      1.643359
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  H      -2.333000     -7.224465      1.214832
  C      -2.758630     -0.865353      0.385091
  C      -2.769895     -2.384227      0.577411
  C      -3.803964     -2.825802      1.622837
  C      -5.278081     -2.617184      1.129015
  N      -6.002948     -1.620152      1.892215
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  C      -9.493823     -6.241508      5.440602
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  C      -8.328869      0.392861      5.785211
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  C      -0.320723     -5.012319      7.504384
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  C      -6.933878     -5.781782     10.327593
  S      -7.075428     -4.873578     11.843675
  C      -5.887747     -5.421829      9.469892
  H      -2.009138     -0.570218     -0.361925
  H      -2.517227     -0.353509      1.328576
  H      -3.735523     -0.482474      0.050066
  H      -1.770125     -2.716572      0.907838
  H      -2.968495     -2.877690     -0.388965
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  H      -6.219004     -0.761583     -0.689072
  H      -6.807681      1.521848     -1.363133
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  H      -7.176300      4.225237      2.465905
  H      -6.560294      0.402437      3.464358
  H     -10.284783     -7.000632      5.370182
  H      -9.938777     -5.271047      5.180095
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  H      -7.916425     -7.572394      4.857119
  H      -6.989620     -5.374304      5.670418
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  H      -7.182371     -3.919374      3.137184
  H      -6.666739     -3.113136      5.454750
  H      -9.462784     -2.319940      3.232905
  H     -10.455341     -0.060344      3.179183
  H      -9.767412      1.686142      4.799425
  H      -8.244958      2.675848      6.330752
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  H      -0.055900     -5.857667      6.856249
  H      -0.718471     -5.422879      8.444877
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  H      -1.419745     -3.168001      7.508319
  H      -0.883956     -3.652623      5.906209
  H      -3.357550     -3.619582      6.416519
  H      -2.763665     -6.164314      8.010070
  H      -3.419515     -4.619410      8.584096
  H      -4.708736     -6.271294      6.503511
  H      -6.478942     -7.627874      6.948884
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  H      -8.652809     -7.075418     10.638143
  H      -8.113905     -5.576752     12.346570
  H      -5.226149     -4.599703      9.747213
  N      -4.816078     -3.275571      4.557290
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265191261902
  N      -3.584617     -4.193844      2.157515
  C      -3.177913     -5.215937      1.195923
  C      -2.545256     -6.401973      1.918418
  N      -3.396794     -6.831704      3.033491
  C      -4.610980     -7.545999      2.619152
  C      -5.748652     -7.334201      3.611554
  N      -5.926611     -5.916701      3.930833
  Mo     -4.297427     -4.752586      3.930196
  N      -2.917970     -5.267194      5.273664
  C      -2.021790     -6.400022      5.037186
  C      -2.684651     -7.456215      4.153278
  H      -1.751590     -6.888630      5.988182
  H      -1.071756     -6.057282      4.583198
  H      -3.430585     -7.998552      4.753296
  H      -1.939112     -8.196757      3.803983
  H      -6.654331     -7.752618      3.144442
  H      -5.573917     -7.937885      4.527847
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  H      -1.584434     -6.078300      2.344539
  H      -2.343052     -7.229431      1.210602
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  C      -2.756389     -2.385888      0.593913
  C      -3.796240     -2.827851      1.634151
  C      -5.267329     -2.611275      1.134310
  N      -5.992267     -1.617262      1.901338
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  H      -1.995213     -0.574751     -0.344147
  H      -2.510373     -0.358315      1.345156
  H      -3.722448     -0.490716      0.063012
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  H      -6.205573     -0.738210     -0.674719
  H      -6.798969      1.550138     -1.328833
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  H      -7.171060      4.221229      2.525465
  H      -6.558584      0.389810      3.489460
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  H      -8.641686     -6.726157      3.454488
  H      -7.930190     -7.572861      4.836550
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  H      -7.171919     -3.920895      3.121499
  H      -6.671928     -3.105674      5.433834
  H      -9.474222     -2.347884      3.214216
  H     -10.496907     -0.104243      3.153641
  H      -9.832184      1.658212      4.769409
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  H      -0.678678     -5.432518      8.426430
  H       0.635674     -4.477540      7.723239
  H      -1.411888     -3.180404      7.507257
  H      -0.888468     -3.653013      5.897395
  H      -3.354425     -3.640792      6.428074
  H      -2.740265     -6.186864      8.011246
  H      -3.400163     -4.646267      8.589398
  H      -4.697309     -6.306974      6.516785
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  H      -8.639450     -6.999238     10.674516
  H      -8.050271     -5.518631     12.379596
  H      -5.157443     -4.615051      9.759408
  N      -4.811034     -3.282894      4.567728
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265332039533
  N      -3.587893     -4.190863      2.168573
  C      -3.185920     -5.212440      1.204437
  C      -2.550870     -6.399268      1.923421
  N      -3.400537     -6.830394      3.039707
  C      -4.614276     -7.545755      2.626397
  C      -5.750605     -7.333181      3.619961
  N      -5.930233     -5.915077      3.936936
  Mo     -4.298892     -4.751379      3.941469
  N      -2.916263     -5.270583      5.279676
  C      -2.018557     -6.400749      5.036714
  C      -2.686114     -7.456593      4.156767
  H      -1.740311     -6.888997      5.985643
  H      -1.072477     -6.055333      4.576823
  H      -3.431790     -7.995367      4.760085
  H      -1.944426     -8.199978      3.805951
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  H      -5.574509     -7.935700      4.536980
  H      -4.924359     -7.136336      1.654331
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  H      -2.349809     -7.225777      1.214177
  C      -2.736861     -0.869185      0.415745
  C      -2.751201     -2.385256      0.608456
  C      -3.795001     -2.824914      1.645702
  C      -5.263161     -2.607867      1.139940
  N      -5.991230     -1.613957      1.903954
  C      -6.318225     -0.347245      1.465386
  C      -6.395278     -0.001763      0.098617
  C      -6.745182      1.294494     -0.276308
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  C      -9.541054     -6.236604      5.352473
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  C      -7.730073     -4.172090      4.043916
  N      -7.630119     -3.150128      5.070211
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  C      -9.161652     -1.592643      3.935760
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  N      -4.680053     -5.772005      7.375088
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  C      -5.823279     -5.429960      9.494961
  H      -1.984902     -0.575976     -0.330811
  H      -2.496665     -0.357581      1.359172
  H      -3.711686     -0.486171      0.077788
  H      -1.755716     -2.719222      0.946119
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  H      -6.802920      1.539893     -1.337990
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  H      -7.206303      4.221351      2.507318
  H      -6.571801      0.395485      3.485896
  H     -10.315921     -7.010381      5.276347
  H      -9.997061     -5.279899      5.061117
  H      -9.249128     -6.152756      6.407808
  H      -8.636024     -6.723665      3.434706
  H      -7.944392     -7.567919      4.829521
  H      -7.026603     -5.387769      5.659885
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  H      -7.160110     -3.912403      3.129982
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  H      -9.446698     -2.337362      3.193064
  H     -10.468175     -0.093296      3.120141
  H      -9.832929      1.663567      4.753961
  H      -8.322593      2.670896      6.298016
  H      -7.036112     -1.099165      6.561576
  H      -0.010776     -5.845075      6.783210
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  H      -1.409442     -3.193693      7.517491
  H      -0.901008     -3.639346      5.893947
  H      -3.356535     -3.655496      6.450754
  H      -2.707854     -6.206564      8.010602
  H      -3.380087     -4.676856      8.600837
  H      -4.679785     -6.340870      6.530557
  H      -6.535064     -7.586551      6.962765
  H      -8.416737     -8.123488      8.479558
  H      -8.649306     -6.969813     10.675101
  H      -8.043614     -5.500543     12.381522
  H      -5.116729     -4.649687      9.782373
  N      -4.811236     -3.281574      4.580805
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265455439559
  N      -3.587560     -4.189286      2.177131
  C      -3.191022     -5.208548      1.207558
  C      -2.555563     -6.399169      1.920028
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  N      -2.914841     -5.283763      5.280771
  C      -2.017117     -6.412709      5.029438
  C      -2.689544     -7.464915      4.149657
  H      -1.733170     -6.903447      5.975322
  H      -1.073820     -6.064712      4.565775
  H      -3.436310     -8.000503      4.754346
  H      -1.952347     -8.211517      3.796496
  H      -6.659235     -7.756011      3.150397
  H      -5.577984     -7.939755      4.532073
  H      -4.929001     -7.137805      1.649894
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  H      -2.449220     -4.811444      0.497044
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  H      -1.593335     -6.077638      2.344672
  H      -2.355910     -7.223046      1.207484
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  C      -2.744465     -2.376455      0.627603
  C      -3.791623     -2.820986      1.658791
  C      -5.257532     -2.605016      1.145171
  N      -5.991174     -1.613037      1.906092
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  C      -6.743377      1.293363     -0.278113
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  C      -9.552899     -6.239059      5.333249
  C      -8.335510     -6.596425      4.475103
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  N      -7.638223     -3.155392      5.072200
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  C      -9.386740      0.669222      4.794260
  C      -8.416665      0.378874      5.768856
  S      -7.915139      1.573875      6.984117
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  C      -0.253525     -5.014815      7.427616
  C      -1.290665     -4.058410      6.827948
  C      -2.723394     -4.569505      6.555432
  C      -3.319587     -5.368534      7.732163
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  C      -7.829332     -6.680431     10.015113
  C      -6.865505     -5.724508     10.367046
  S      -6.938761     -4.821960     11.891867
  C      -5.800846     -5.427653      9.504677
  H      -1.975825     -0.561758     -0.301761
  H      -2.481071     -0.351851      1.391024
  H      -3.700243     -0.470212      0.110007
  H      -1.750590     -2.715168      0.966907
  H      -2.936008     -2.861473     -0.344762
  H      -3.676859     -2.161653      2.531314
  H      -5.250638     -2.306668      0.090083
  H      -5.790875     -3.569138      1.207492
  H      -5.914752     -1.722646      2.917170
  H      -6.195233     -0.744539     -0.674318
  H      -6.799222      1.538364     -1.339849
  H      -7.319821      3.283521      0.352629
  H      -7.224533      4.220087      2.501585
  H      -6.576040      0.396610      3.483754
  H     -10.316993     -7.023737      5.267062
  H     -10.023497     -5.292771      5.027578
  H      -9.263285     -6.137156      6.388484
  H      -8.634969     -6.725527      3.419327
  H      -7.951793     -7.569803      4.819943
  H      -7.036373     -5.402303      5.654764
  H      -8.783919     -4.261306      3.736813
  H      -7.154282     -3.909565      3.134961
  H      -6.693071     -3.115795      5.464880
  H      -9.422722     -2.334306      3.168514
  H     -10.449058     -0.093821      3.090348
  H      -9.847058      1.655337      4.745152
  H      -8.361731      2.658386      6.311745
  H      -7.069289     -1.107606      6.580917
  H       0.002472     -5.843181      6.754735
  H      -0.597688     -5.447015      8.378866
  H       0.678224     -4.469548      7.638158
  H      -1.402615     -3.203097      7.514320
  H      -0.908836     -3.636174      5.883914
  H      -3.354372     -3.675989      6.462489
  H      -2.680102     -6.230155      8.006130
  H      -3.354819     -4.706847      8.607310
  H      -4.666962     -6.370143      6.541770
  H      -6.547975     -7.581192      6.978941
  H      -8.440924     -8.078943      8.493805
  H      -8.660737     -6.910560     10.683112
  H      -8.042157     -5.437532     12.375711
  H      -5.081931     -4.659908      9.792653
  N      -4.810153     -3.287313      4.591916
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265551682387
  N      -3.587290     -4.185310      2.185591
  C      -3.192615     -5.200692      1.210871
  C      -2.556811     -6.395001      1.916581
  N      -3.404714     -6.834334      3.031124
  C      -4.618306     -7.548192      2.615363
  C      -5.754048     -7.337538      3.610764
  N      -5.935865     -5.919793      3.929893
  Mo     -4.300763     -4.756615      3.953797
  N      -2.914826     -5.294212      5.283071
  C      -2.014754     -6.419509      5.023313
  C      -2.688563     -7.469051      4.141959
  H      -1.725366     -6.913017      5.966217
  H      -1.074527     -6.066319      4.557398
  H      -3.435024     -8.004524      4.746953
  H      -1.953276     -8.216372      3.786217
  H      -6.658971     -7.759066      3.145139
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  H      -4.929517     -7.136643      1.644629
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  H      -1.594317     -6.075213      2.341859
  H      -2.357787     -7.215834      1.200484
  C      -2.717729     -0.848802      0.469207
  C      -2.737294     -2.367559      0.646709
  C      -3.790564     -2.816229      1.670609
  C      -5.254060     -2.602657      1.149465
  N      -5.992717     -1.612231      1.906940
  C      -6.318487     -0.345929      1.465935
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  N      -4.649155     -5.820617      7.393729
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  C      -7.829508     -6.641348     10.028589
  C      -6.851639     -5.697560     10.375646
  S      -6.912347     -4.789565     11.896554
  C      -5.783124     -5.419863      9.513148
  H      -1.962728     -0.549477     -0.273433
  H      -2.478186     -0.346785      1.419015
  H      -3.690796     -0.460038      0.129359
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  H      -5.241483     -2.305095      0.094455
  H      -5.784130     -3.567842      1.210733
  H      -5.918509     -1.721259      2.918574
  H      -6.192065     -0.744867     -0.673040
  H      -6.794986      1.538751     -1.340834
  H      -7.314708      3.284354      0.349443
  H      -7.238204      4.219796      2.498130
  H      -6.582732      0.395688      3.484288
  H     -10.316507     -7.037574      5.255894
  H     -10.040314     -5.306600      4.999086
  H      -9.269104     -6.128926      6.369081
  H      -8.636796     -6.724142      3.402956
  H      -7.960409     -7.574480      4.803547
  H      -7.043293     -5.418885      5.651097
  H      -8.780843     -4.264599      3.730640
  H      -7.150472     -3.908567      3.142460
  H      -6.705697     -3.124649      5.481775
  H      -9.416196     -2.342956      3.161474
  H     -10.450180     -0.106861      3.078596
  H      -9.865140      1.645602      4.735527
  H      -8.394251      2.654543      6.301931
  H      -7.089901     -1.109447      6.587537
  H       0.008756     -5.848895      6.718826
  H      -0.567349     -5.465709      8.354783
  H       0.692761     -4.480313      7.600948
  H      -1.399914     -3.223108      7.524053
  H      -0.918355     -3.630909      5.883570
  H      -3.354017     -3.693724      6.475756
  H      -2.665291     -6.258087      7.995678
  H      -3.333496     -4.739529      8.614969
  H      -4.665388     -6.386901      6.548717
  H      -6.566051     -7.573834      6.995768
  H      -8.462779     -8.038308      8.514886
  H      -8.662346     -6.857498     10.698186
  H      -8.031947     -5.379225     12.374006
  H      -5.054175     -4.659959      9.797076
  N      -4.811757     -3.291326      4.602387
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265645460155
  N      -3.586269     -4.183446      2.192496
  C      -3.194630     -5.194036      1.211368
  C      -2.559463     -6.393275      1.908765
  N      -3.405499     -6.837765      3.022278
  C      -4.619750     -7.550041      2.606038
  C      -5.755157     -7.340962      3.602321
  N      -5.937313     -5.923764      3.922776
  Mo     -4.301711     -4.761741      3.957880
  N      -2.914740     -5.308671      5.283210
  C      -2.012899     -6.430648      5.014382
  C      -2.687342     -7.476729      4.129517
  H      -1.719818     -6.928510      5.953909
  H      -1.074986     -6.072525      4.547394
  H      -3.432492     -8.014794      4.734028
  H      -1.952576     -8.222845      3.769491
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  H      -5.578458     -7.946551      4.517217
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  H      -2.454974     -4.790059      0.502857
  H      -4.061940     -5.515600      0.599059
  H      -1.595807     -6.076839      2.333926
  H      -2.362755     -7.210509      1.187982
  C      -2.712320     -0.834156      0.505732
  C      -2.731950     -2.354731      0.668552
  C      -3.789480     -2.811900      1.683620
  C      -5.250764     -2.599031      1.155162
  N      -5.994088     -1.610611      1.910962
  C      -6.317426     -0.343484      1.470430
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  C      -6.735103      1.296928     -0.274866
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  N      -7.655366     -3.168690      5.068978
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  C      -8.455942      0.364520      5.753393
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  C      -7.829433     -6.595105     10.045947
  C      -6.834802     -5.666684     10.386906
  S      -6.878338     -4.753415     11.904593
  C      -5.763135     -5.411428      9.522725
  H      -1.957617     -0.528141     -0.233292
  H      -2.473858     -0.340654      1.460284
  H      -3.684603     -0.442724      0.168456
  H      -1.741855     -2.697728      1.013888
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  H      -3.688312     -2.160320      2.563428
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  H      -5.777823     -3.565721      1.213000
  H      -5.922723     -1.720512      2.921821
  H      -6.183001     -0.741331     -0.668636
  H      -6.785335      1.543167     -1.337843
  H      -7.312323      3.286807      0.354408
  H      -7.243533      4.220669      2.500206
  H      -6.585781      0.396352      3.486895
  H     -10.309395     -7.054459      5.261038
  H     -10.050000     -5.323921      4.986422
  H      -9.265049     -6.125221      6.361664
  H      -8.639867     -6.728550      3.396907
  H      -7.960359     -7.581151      4.793910
  H      -7.046170     -5.427234      5.644946
  H      -8.783030     -4.275898      3.721042
  H      -7.153186     -3.915879      3.136015
  H      -6.719540     -3.131559      5.483715
  H      -9.412419     -2.350940      3.139950
  H     -10.452279     -0.118725      3.054162
  H      -9.883373      1.633127      4.716710
  H      -8.424557      2.646214      6.287282
  H      -7.111359     -1.114759      6.582416
  H       0.015541     -5.853403      6.692795
  H      -0.540400     -5.479579      8.337676
  H       0.704951     -4.484583      7.571955
  H      -1.398636     -3.241477      7.530793
  H      -0.927419     -3.628906      5.882997
  H      -3.354675     -3.714308      6.483338
  H      -2.653701     -6.287132      7.981840
  H      -3.312061     -4.772510      8.620995
  H      -4.664694     -6.406661      6.557255
  H      -6.591101     -7.561503      7.013536
  H      -8.491401     -7.986101      8.540287
  H      -8.663556     -6.794618     10.718594
  H      -8.007873     -5.321016     12.383163
  H      -5.022059     -4.660899      9.800594
  N      -4.813208     -3.299471      4.613105
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265771535221
  N      -3.588938     -4.179990      2.203387
  C      -3.202409     -5.180710      1.210297
  C      -2.565738     -6.388097      1.891377
  N      -3.405340     -6.843266      3.004730
  C      -4.620595     -7.554021      2.589283
  C      -5.755012     -7.349224      3.587446
  N      -5.939012     -5.933459      3.910818
  Mo     -4.304130     -4.772928      3.964191
  N      -2.914116     -5.333809      5.281483
  C      -2.006935     -6.447059      4.995224
  C      -2.679775     -7.488350      4.103567
  H      -1.705390     -6.952822      5.927776
  H      -1.074510     -6.077933      4.525716
  H      -3.419077     -8.036183      4.706796
  H      -1.942618     -8.227287      3.733195
  H      -6.659641     -7.770927      3.122013
  H      -5.576112     -7.956228      4.500585
  H      -4.933541     -7.135613      1.621908
  H      -4.432202     -8.635496      2.441253
  H      -2.465560     -4.768724      0.503421
  H      -4.073258     -5.494268      0.598583
  H      -1.598991     -6.077420      2.313836
  H      -2.374383     -7.198234      1.161129
  C      -2.700952     -0.809978      0.569942
  C      -2.722285     -2.332760      0.709122
  C      -3.791254     -2.803935      1.706273
  C      -5.247516     -2.590367      1.163600
  N      -6.000003     -1.606366      1.915370
  C      -6.315077     -0.336363      1.476264
  C      -6.371820      0.011159      0.108315
  C      -6.718312      1.308207     -0.269245
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  C      -9.556983     -6.268869      5.305964
  C      -8.342044     -6.620541      4.444653
  C      -7.232686     -5.561757      4.553375
  C      -7.740730     -4.200834      4.022634
  N      -7.671351     -3.180285      5.049596
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  C      -9.449176      0.629085      4.735560
  C      -8.492822      0.349183      5.725384
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  C      -6.797781     -5.614673     10.410726
  S      -6.804289     -4.692237     11.923413
  C      -5.723357     -5.401821      9.540734
  H      -1.939608     -0.492585     -0.158013
  H      -2.471192     -0.332097      1.534317
  H      -3.670407     -0.413278      0.230428
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  H      -2.892492     -2.789278     -0.280558
  H      -3.703104     -2.161785      2.594498
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  H      -6.169338     -0.730923     -0.662484
  H      -6.766768      1.555152     -1.330342
  H      -7.292128      3.298591      0.360305
  H      -7.244171      4.227327      2.504215
  H      -6.595711      0.398747      3.492736
  H     -10.299727     -7.078480      5.270743
  H     -10.057948     -5.349276      4.971306
  H      -9.256953     -6.123280      6.353302
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  H      -7.048782     -5.435939      5.634284
  H      -8.788810     -4.297819      3.702953
  H      -7.160448     -3.933618      3.119070
  H      -6.740745     -3.139101      5.473218
  H      -9.420582     -2.373065      3.107216
  H     -10.472545     -0.146975      3.016180
  H      -9.923382      1.608433      4.680315
  H      -8.489782      2.629956      6.260965
  H      -7.145341     -1.122653      6.563119
  H       0.029510     -5.859978      6.656897
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  H       0.717647     -4.492111      7.541711
  H      -1.399679     -3.275131      7.545748
  H      -0.941717     -3.628738      5.887636
  H      -3.359277     -3.752131      6.496042
  H      -2.633887     -6.341641      7.953694
  H      -3.275821     -4.836635      8.631586
  H      -4.665655     -6.449209      6.574205
  H      -6.640870     -7.536131      7.045837
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  H      -8.662142     -6.677738     10.760104
  H      -7.949862     -5.219078     12.409657
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.265890047280
  N      -3.592047     -4.174251      2.216685
  C      -3.209019     -5.165215      1.212604
  C      -2.571463     -6.380175      1.878908
  N      -3.406245     -6.845962      2.991130
  C      -4.622425     -7.554478      2.574767
  C      -5.756056     -7.355053      3.574684
  N      -5.940314     -5.940932      3.903578
  Mo     -4.307372     -4.781735      3.973058
  N      -2.914912     -5.354100      5.282730
  C      -2.003919     -6.459951      4.981398
  C      -2.675158     -7.496867      4.083043
  H      -1.695482     -6.973199      5.907746
  H      -1.075816     -6.081991      4.510211
  H      -3.409574     -8.054510      4.683778
  H      -1.934656     -8.228339      3.703619
  H      -6.661047     -7.775070      3.108230
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  H      -1.601897     -6.075641      2.299436
  H      -2.384715     -7.183053      1.139310
  C      -2.696835     -0.786787      0.631102
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  C      -3.795826     -2.794654      1.730320
  C      -5.247271     -2.582822      1.174398
  N      -6.009763     -1.602902      1.921738
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  C      -7.814243     -6.450139     10.121287
  C      -6.759270     -5.582077     10.441586
  S      -6.729596     -4.657185     11.953092
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  H      -1.929153     -0.459232     -0.085333
  H      -2.477586     -0.321836      1.603123
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  H      -5.208541     -2.275016      0.123450
  H      -5.765073     -3.555293      1.215220
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  H      -6.158822     -0.720773     -0.654516
  H      -6.746844      1.567893     -1.323461
  H      -7.282724      3.308153      0.369785
  H      -7.252426      4.231554      2.510695
  H      -6.609614      0.400556      3.498860
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  H      -8.650092     -6.751863      3.393060
  H      -7.955757     -7.603688      4.780639
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  H      -7.165540     -3.951004      3.096100
  H      -6.759993     -3.138580      5.454054
  H      -9.422081     -2.389841      3.059690
  H     -10.478022     -0.165858      2.953679
  H      -9.948384      1.594139      4.618033
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  H      -1.400282     -3.315695      7.568271
  H      -0.955850     -3.629130      5.897595
  H      -3.364687     -3.786971      6.515605
  H      -2.615112     -6.397860      7.920168
  H      -3.236081     -4.906636      8.646065
  H      -4.671262     -6.485474      6.592845
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  H      -8.649677     -6.592461     10.807056
  H      -7.883188     -5.154342     12.451244
  H      -4.898702     -4.691021      9.821074
  N      -4.826911     -3.334862      4.655890
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266051499764
  N      -3.600375     -4.168817      2.230229
  C      -3.221807     -5.147785      1.213073
  C      -2.581690     -6.371134      1.860776
  N      -3.408896     -6.850109      2.972610
  C      -4.626290     -7.556279      2.555748
  C      -5.757434     -7.364371      3.559631
  N      -5.942148     -5.952383      3.895741
  Mo     -4.311933     -4.794640      3.981975
  N      -2.915636     -5.379781      5.280330
  C      -1.999698     -6.475142      4.959349
  C      -2.669543     -7.507610      4.054651
  H      -1.679261     -6.996551      5.876998
  H      -1.078662     -6.085912      4.483477
  H      -3.396843     -8.077775      4.652670
  H      -1.924547     -8.228478      3.663387
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  H      -2.401438     -7.164787      1.109471
  C      -2.687032     -0.756945      0.712751
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  C      -3.802185     -2.784174      1.758004
  C      -5.244658     -2.571674      1.180287
  N      -6.020191     -1.596015      1.919058
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  H      -1.910065     -0.416220      0.014143
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  H      -3.649769     -0.352156      0.365679
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  H      -2.849203     -2.708305     -0.202263
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  H      -6.709601      1.584770     -1.326221
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  H      -6.626671      0.407033      3.494491
  H     -10.287791     -7.107038      5.292719
  H     -10.063616     -5.382569      4.943759
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  H      -7.168995     -3.968640      3.072072
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  H      -9.428307     -2.411392      3.012249
  H     -10.489404     -0.188387      2.890534
  H      -9.984684      1.574859      4.558293
  H      -8.617152      2.608959      6.189402
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  H      -0.450249     -5.596146      8.254208
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  H      -1.403270     -3.359890      7.587387
  H      -0.971223     -3.639717      5.907356
  H      -3.373523     -3.835000      6.539208
  H      -2.591351     -6.472102      7.871475
  H      -3.184534     -5.002579      8.659892
  H      -4.682572     -6.538838      6.617772
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  H      -8.628132     -6.471869     10.865559
  H      -7.791161     -5.053009     12.499610
  H      -4.816170     -4.720101      9.835982
  N      -4.837669     -3.358446      4.682249
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266217755166
  N      -3.610354     -4.160464      2.246054
  C      -3.235819     -5.127619      1.216096
  C      -2.592555     -6.358906      1.845570
  N      -3.412864     -6.851825      2.956653
  C      -4.630775     -7.556661      2.538636
  C      -5.759570     -7.373805      3.547076
  N      -5.944014     -5.964370      3.893530
  Mo     -4.316947     -4.805991      3.992287
  N      -2.916240     -5.401562      5.279262
  C      -1.996505     -6.487451      4.939555
  C      -2.665791     -7.515610      4.029305
  H      -1.663605     -7.016075      5.848581
  H      -1.082341     -6.088137      4.458805
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  H      -1.917009     -8.226724      3.627400
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  H      -4.949633     -7.120364      1.581058
  H      -4.441831     -8.635001      2.369898
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  H      -1.615575     -6.068583      2.258847
  H      -2.417620     -7.142917      1.082803
  C      -2.684339     -0.725696      0.793300
  C      -2.701308     -2.252097      0.861911
  C      -3.811904     -2.771512      1.787732
  C      -5.244688     -2.561427      1.187079
  N      -6.036278     -1.591440      1.915253
  C      -6.322926     -0.313025      1.478915
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  C      -6.660717      1.347965     -0.264409
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  C      -7.759618     -4.240915      3.952069
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  H      -1.893737     -0.371189      0.116129
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  H      -6.652356      0.409217      3.491752
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  H      -9.262080     -6.099936      6.339742
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  H      -3.377531     -3.879692      6.566435
  H      -2.567792     -6.542141      7.826667
  H      -3.133787     -5.095422      8.671613
  H      -4.692857     -6.590214      6.643088
  H      -6.768947     -7.453029      7.163686
  H      -8.665432     -7.589689      8.755474
  H      -8.606076     -6.361748     10.917958
  H      -7.700634     -4.964596     12.546325
  H      -4.739364     -4.753369      9.853014
  N      -4.849430     -3.380716      4.709347
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266404408237
  N      -3.618943     -4.152336      2.261242
  C      -3.246971     -5.107303      1.218660
  C      -2.601645     -6.346758      1.829868
  N      -3.417225     -6.854371      2.938297
  C      -4.634929     -7.557491      2.516508
  C      -5.761914     -7.385229      3.529302
  N      -5.945095     -5.979134      3.889976
  Mo     -4.321522     -4.819110      4.000402
  N      -2.916578     -5.424847      5.275764
  C      -1.994744     -6.502836      4.917824
  C      -2.664594     -7.525679      4.002085
  H      -1.649459     -7.038471      5.817962
  H      -1.086923     -6.094887      4.432189
  H      -3.381378     -8.115780      4.593219
  H      -1.913238     -8.228756      3.590937
  H      -6.670930     -7.796542      3.062487
  H      -5.567822     -8.013402      4.424499
  H      -4.956279     -7.114214      1.563095
  H      -4.444030     -8.634095      2.338763
  H      -2.520863     -4.660621      0.520930
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  H      -1.622185     -6.063487      2.241970
  H      -2.430638     -7.120367      1.055601
  C      -2.677765     -0.695741      0.873779
  C      -2.690752     -2.222815      0.921539
  C      -3.819133     -2.759457      1.816066
  C      -5.239951     -2.551826      1.188126
  N      -6.049252     -1.588186      1.904717
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  C      -6.628464      1.366547     -0.266514
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  S      -7.342594      3.159135      3.309142
  C      -6.652483      0.680832      2.425658
  C      -9.562956     -6.306483      5.286835
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  C      -7.764335     -4.257206      3.930058
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  C      -9.232858     -1.707474      3.687009
  C      -9.833826     -0.450277      3.599065
  C      -9.579495      0.554472      4.531222
  C      -8.669637      0.295140      5.570031
  S      -8.283375      1.506922      6.811615
  C      -8.053562     -0.951709      5.670009
  C      -0.157358     -5.165653      7.272901
  C      -1.282987     -4.223472      6.834828
  C      -2.699351     -4.788514      6.589946
  C      -3.186218     -5.710924      7.722909
  N      -4.565986     -6.085827      7.506084
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  C      -7.751609     -6.180929     10.255994
  C      -6.597981     -5.434543     10.539141
  S      -6.421150     -4.487055     12.028933
  C      -5.529289     -5.394177      9.635218
  H      -1.872136     -0.328772      0.221001
  H      -2.519865     -0.277651      1.878638
  H      -3.628457     -0.287406      0.497368
  H      -1.726864     -2.587901      1.314180
  H      -2.787830     -2.619084     -0.102734
  H      -3.805089     -2.159458      2.737026
  H      -5.156065     -2.234294      0.142017
  H      -5.746080     -3.533053      1.189899
  H      -6.059304     -1.715468      2.914390
  H      -6.102226     -0.675959     -0.665647
  H      -6.629498      1.627111     -1.326839
  H      -7.191730      3.359437      0.364148
  H      -7.312789      4.248970      2.509053
  H      -6.671099      0.407768      3.483188
  H     -10.293239     -7.126405      5.289415
  H     -10.069208     -5.407403      4.905535
  H      -9.276832     -6.100778      6.328172
  H      -8.640984     -6.823654      3.395767
  H      -7.942544     -7.634232      4.801043
  H      -7.059872     -5.415420      5.589998
  H      -8.803927     -4.379492      3.590579
  H      -7.163714     -4.003224      3.034626
  H      -6.819830     -3.146110      5.382893
  H      -9.437454     -2.458643      2.924132
  H     -10.513666     -0.242629      2.770735
  H     -10.057961      1.529489      4.443011
  H      -8.768692      2.570907      6.134078
  H      -7.340328     -1.154388      6.473910
  H       0.101025     -5.909110      6.508239
  H      -0.411067     -5.707816      8.195617
  H       0.751646     -4.583722      7.479943
  H      -1.395246     -3.453654      7.617032
  H      -0.984726     -3.680781      5.922548
  H      -3.376810     -3.925828      6.591140
  H      -2.544806     -6.608423      7.789022
  H      -3.084838     -5.181079      8.677342
  H      -4.702284     -6.646943      6.672037
  H      -6.808766     -7.414682      7.207770
  H      -8.702010     -7.459071      8.807541
  H      -8.585081     -6.213413     10.958960
  H      -7.611568     -4.832467     12.575030
  H      -4.657244     -4.781392      9.867168
  N      -4.861460     -3.406375      4.734956
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266597147423
  N      -3.627509     -4.140737      2.281012
  C      -3.257068     -5.080829      1.223880
  C      -2.611110     -6.330028      1.814302
  N      -3.424100     -6.854911      2.917045
  C      -4.641195     -7.554749      2.488320
  C      -5.766273     -7.396894      3.506245
  N      -5.946800     -5.995868      3.887259
  Mo     -4.327239     -4.832967      4.010029
  N      -2.918402     -5.451625      5.273051
  C      -1.996879     -6.523220      4.895577
  C      -2.668591     -7.536914      3.971540
  H      -1.641764     -7.068380      5.785950
  H      -1.093650     -6.107442      4.407778
  H      -3.383783     -8.134321      4.556832
  H      -1.916540     -8.233876      3.551584
  H      -6.677061     -7.801133      3.036783
  H      -5.569271     -8.037250      4.391960
  H      -4.965154     -7.101288      1.540683
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  H      -4.137987     -5.355001      0.607940
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  H      -2.442639     -7.091172      1.027315
  C      -2.678860     -0.657211      0.968245
  C      -2.683301     -2.184997      0.992519
  C      -3.828498     -2.743441      1.851521
  C      -5.236044     -2.540630      1.193375
  N      -6.066692     -1.584963      1.895980
  C      -6.328431     -0.298621      1.465520
  C      -6.302982      0.072966      0.103094
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  C      -7.768895     -4.276987      3.910455
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  C      -3.161026     -5.777263      7.718916
  N      -4.547144     -6.141396      7.530088
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  C      -7.726740     -6.069271     10.290321
  C      -6.542390     -5.369065     10.562718
  S      -6.319568     -4.410357     12.038427
  C      -5.473514     -5.384581      9.656751
  H      -1.857769     -0.274831      0.344246
  H      -2.551938     -0.253623      1.983905
  H      -3.621305     -0.249352      0.571050
  H      -1.727498     -2.550581      1.404027
  H      -2.752161     -2.565939     -0.040145
  H      -3.840910     -2.157183      2.781586
  H      -5.134411     -2.219997      0.149282
  H      -5.737206     -3.524946      1.180242
  H      -6.099308     -1.716549      2.904522
  H      -6.077613     -0.660003     -0.670862
  H      -6.585921      1.648896     -1.325354
  H      -7.161772      3.376416      0.365211
  H      -7.343986      4.251538      2.508264
  H      -6.705726      0.405634      3.477889
  H     -10.295434     -7.140607      5.289298
  H     -10.070358     -5.423369      4.896012
  H      -9.285284     -6.108462      6.326420
  H      -8.636034     -6.857618      3.400724
  H      -7.935567     -7.647245      4.817067
  H      -7.061860     -5.416847      5.579396
  H      -8.805011     -4.405524      3.563086
  H      -7.161653     -4.025112      3.019654
  H      -6.834503     -3.154939      5.359524
  H      -9.440378     -2.489902      2.884074
  H     -10.526331     -0.279915      2.711666
  H     -10.093899      1.501288      4.381448
  H      -8.842125      2.548971      6.095072
  H      -7.387228     -1.164940      6.449718
  H       0.119869     -5.938281      6.476907
  H      -0.396240     -5.772165      8.167353
  H       0.760272     -4.627919      7.474877
  H      -1.383683     -3.504795      7.622636
  H      -0.983801     -3.717607      5.923508
  H      -3.371881     -3.975163      6.616983
  H      -2.524214     -6.678936      7.755403
  H      -3.034161     -5.267597      8.681268
  H      -4.713703     -6.701582      6.702090
  H      -6.844091     -7.376486      7.254592
  H      -8.732173     -7.324661      8.857852
  H      -8.560029     -6.057628     10.993838
  H      -7.519915     -4.698991     12.596073
  H      -4.575253     -4.809092      9.883115
  N      -4.875531     -3.434631      4.764774
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266812609792
  N      -3.635246     -4.126876      2.303264
  C      -3.264102     -5.049763      1.230228
  C      -2.619281     -6.310303      1.797737
  N      -3.431705     -6.854282      2.892246
  C      -4.648452     -7.548806      2.454122
  C      -5.771158     -7.408036      3.478061
  N      -5.947643     -6.013554      3.884163
  Mo     -4.331626     -4.848013      4.020307
  N      -2.920203     -5.483188      5.270658
  C      -2.000288     -6.549019      4.871756
  C      -2.675247     -7.550297      3.936878
  H      -1.637015     -7.105960      5.751332
  H      -1.100566     -6.125360      4.383876
  H      -3.391021     -8.153552      4.515034
  H      -1.924365     -8.242981      3.507982
  H      -6.684141     -7.803181      3.005435
  H      -5.571592     -8.063441      4.351736
  H      -4.975067     -7.081430      1.514293
  H      -4.453990     -8.619614      2.246406
  H      -2.539457     -4.581191      0.545194
  H      -4.144822     -5.313259      0.609513
  H      -1.637541     -6.044340      2.215557
  H      -2.452651     -7.057322      0.997111
  C      -2.679184     -0.617272      1.067829
  C      -2.672718     -2.145090      1.071859
  C      -3.836583     -2.724825      1.890661
  C      -5.228463     -2.525999      1.199072
  N      -6.081960     -1.578414      1.885664
  C      -6.331451     -0.288477      1.457274
  C      -6.280552      0.088643      0.097232
  C      -6.565562      1.402137     -0.271886
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  C      -9.564623     -6.337657      5.283442
  C      -8.334523     -6.711867      4.454002
  C      -7.246947     -5.628076      4.500239
  C      -7.773039     -4.298681      3.892204
  N      -7.769440     -3.246092      4.888456
  C      -8.388658     -2.023624      4.682133
  C      -9.269229     -1.768029      3.610944
  C      -9.884199     -0.519814      3.504140
  C      -9.658804      0.493872      4.433118
  C      -8.766484      0.251200      5.489710
  S      -8.410940      1.469346      6.731470
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  C      -1.265018     -4.320408      6.832221
  C      -2.682489     -4.888407      6.600075
  C      -3.138437     -5.848434      7.714133
  N      -4.531149     -6.198649      7.554190
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  C      -7.816509     -6.667623      9.133544
  C      -7.695624     -5.941546     10.322792
  C      -6.481279     -5.290835     10.581893
  S      -6.213308     -4.316797     12.038942
  C      -5.414975     -5.368323      9.674894
  H      -1.838307     -0.220210      0.479333
  H      -2.592817     -0.226555      2.092791
  H      -3.609564     -0.211093      0.640854
  H      -1.727112     -2.509768      1.506953
  H      -2.707898     -2.512156      0.032739
  H      -3.878738     -2.153824      2.829098
  H      -5.106255     -2.201836      0.158042
  H      -5.725181     -3.512190      1.169012
  H      -6.137977     -1.714257      2.892276
  H      -6.046174     -0.642182     -0.675636
  H      -6.530228      1.673151     -1.328291
  H      -7.129048      3.394877      0.360340
  H      -7.391711      4.254152      2.501251
  H      -6.739456      0.407824      3.465337
  H     -10.296292     -7.156020      5.288325
  H     -10.067953     -5.440093      4.893812
  H      -9.288544     -6.124683      6.327142
  H      -8.632106     -6.892972      3.406033
  H      -7.926756     -7.661926      4.832433
  H      -7.063624     -5.421967      5.569183
  H      -8.805232     -4.434877      3.535934
  H      -7.158938     -4.047198      3.005921
  H      -6.851051     -3.165960      5.339995
  H      -9.448227     -2.526786      2.849616
  H     -10.550475     -0.327876      2.661321
  H     -10.142677      1.464097      4.327542
  H      -8.924311      2.522377      6.055590
  H      -7.435451     -1.175610      6.426789
  H       0.138494     -5.976386      6.443976
  H      -0.383695     -5.849697      8.136991
  H       0.769772     -4.686446      7.472522
  H      -1.370111     -3.564626      7.628662
  H      -0.980047     -3.762961      5.925133
  H      -3.364474     -4.030173      6.643340
  H      -2.510759     -6.756580      7.723017
  H      -2.985270     -5.358487      8.683112
  H      -4.730222     -6.756247      6.732557
  H      -6.879331     -7.337474      7.308368
  H      -8.757335     -7.177429      8.913895
  H      -8.527261     -5.879682     11.026035
  H      -7.421900     -4.546272     12.605716
  H      -4.492190     -4.830689      9.892924
  N      -4.889227     -3.467505      4.799023
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.267008921834
  N      -3.644115     -4.113637      2.327814
  C      -3.272149     -5.018914      1.239364
  C      -2.628810     -6.290246      1.783997
  N      -3.440824     -6.852598      2.869643
  C      -4.657389     -7.541056      2.422036
  C      -5.777889     -7.416875      3.450996
  N      -5.950531     -6.029290      3.880892
  Mo     -4.337610     -4.862582      4.032897
  N      -2.924282     -5.515717      5.270659
  C      -2.005410     -6.574464      4.850024
  C      -2.683650     -7.562779      3.904133
  H      -1.634979     -7.143522      5.718699
  H      -1.109165     -6.142049      4.363192
  H      -3.400081     -8.171361      4.475639
  H      -1.934620     -8.251721      3.466119
  H      -6.692765     -7.803272      2.975214
  H      -5.576228     -8.086665      4.312819
  H      -4.986034     -7.059021      1.490408
  H      -4.462315     -8.608316      2.196945
  H      -2.547203     -4.538547      0.562887
  H      -4.152656     -5.271289      0.613899
  H      -1.646421     -6.033314      2.205784
  H      -2.464023     -7.023273      0.970342
  C      -2.682343     -0.578109      1.173004
  C      -2.664559     -2.105941      1.154626
  C      -3.845216     -2.706610      1.932770
  C      -5.220403     -2.509650      1.208015
  N      -6.095600     -1.568735      1.876741
  C      -6.333819     -0.276277      1.447982
  C      -6.256757      0.103591      0.089961
  C      -6.532535      1.418616     -0.280539
  C      -6.888570      2.388271      0.656802
  C      -6.975773      2.011295      2.006421
  S      -7.408437      3.171863      3.281903
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  H      -1.825512     -0.166603      0.619101
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  H      -6.476342      1.692561     -1.335347
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  H     -10.066960     -5.455338      4.896430
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  H      -8.633711     -6.922860      3.412642
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  H      -7.067029     -5.426857      5.559944
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  H      -7.159373     -4.070122      2.990953
  H      -6.868880     -3.176110      5.320917
  H      -9.453176     -2.560599      2.811886
  H     -10.569010     -0.371647      2.605461
  H     -10.185356      1.431628      4.266553
  H      -8.999431      2.500958      6.006433
  H      -7.479106     -1.181898      6.399060
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  H      -0.369770     -5.920728      8.107864
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  H      -1.361436     -3.623238      7.637731
  H      -0.982618     -3.803632      5.929512
  H      -3.362074     -4.087136      6.671134
  H      -2.499443     -6.835273      7.687528
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  H      -4.746101     -6.811618      6.763514
  H      -6.910083     -7.302805      7.361188
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  H      -8.481271     -5.719965     11.059034
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.267456169193
  N      -3.641343     -4.081066      2.353023
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  C      -2.630780     -6.251083      1.771655
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  N      -5.951517     -6.023000      3.878072
  Mo     -4.335086     -4.860602      4.044104
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  C      -2.709991     -7.570373      3.860159
  H      -1.653924     -7.199233      5.680348
  H      -1.118944     -6.176491      4.345177
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  H      -1.801831     -0.089703      0.781849
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  H      -9.541876     -2.621142      2.887366
  H     -10.702623     -0.457232      2.694069
  H     -10.300660      1.369155      4.326742
  H      -9.076893      2.473331      6.012659
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  H      -0.967332     -3.869439      5.943355
  H      -3.348837     -4.145201      6.694549
  H      -2.514529     -6.928448      7.645943
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  H      -4.786749     -6.849145      6.759939
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  H      -8.446966     -5.567688     11.063848
  H      -7.235234     -4.286411     12.588077
  H      -4.342466     -4.910966      9.904165
  N      -4.899994     -3.515911      4.878744
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.266065837465
  N      -3.640348     -4.065975      2.372666
  C      -3.255556     -4.932528      1.257631
  C      -2.637734     -6.231067      1.764857
  N      -3.472534     -6.820345      2.819327
  C      -4.694100     -7.473253      2.339298
  C      -5.798015     -7.391338      3.387217
  N      -5.952061     -6.025925      3.886820
  Mo     -4.327075     -4.869376      4.056872
  N      -2.923879     -5.592553      5.263373
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  C      -2.734051     -7.589290      3.826331
  H      -1.669549     -7.261974      5.650661
  H      -1.124040     -6.223268      4.331930
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  H      -2.473019     -6.938007      0.928427
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  C      -5.157583     -2.461775      1.183000
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  H      -1.799139     -0.051102      0.875899
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  H     -10.802375     -0.583884      2.624251
  H     -10.294775      1.344539      4.104685
  H      -8.962593      2.544723      5.626657
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  H      -0.364743     -6.105956      8.070841
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  H      -1.313399     -3.771728      7.643946
  H      -0.946526     -3.935692      5.933966
  H      -3.328580     -4.188994      6.691727
  H      -2.524961     -6.982662      7.646058
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  H      -4.815758     -6.893789      6.769541
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  H      -7.176333     -4.070637     12.509947
  H      -4.307743     -4.863604      9.851361
  N      -4.881430     -3.540008      4.922156
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.268298894456
  N      -3.659915     -4.034939      2.416334
  C      -3.270327     -4.889189      1.292742
  C      -2.650237     -6.192136      1.784066
  N      -3.485685     -6.794583      2.830028
  C      -4.707932     -7.439564      2.339603
  C      -5.814675     -7.371931      3.386643
  N      -5.962023     -6.014710      3.910525
  Mo     -4.339787     -4.858366      4.093091
  N      -2.932472     -5.593459      5.288105
  C      -2.036816     -6.647952      4.810674
  C      -2.745328     -7.573772      3.827139
  H      -1.672158     -7.264071      5.648930
  H      -1.135568     -6.209472      4.339641
  H      -3.478349     -8.181195      4.376690
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  C      -5.176294     -2.449014      1.207909
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  H      -7.239367     -4.118938      3.007293
  H      -6.873648     -3.167389      5.308751
  H      -9.567215     -2.650099      2.885728
  H     -10.719070     -0.487964      2.651125
  H     -10.262148      1.388056      4.214021
  H      -9.021813      2.526301      5.855376
  H      -7.428205     -1.118449      6.312194
  H       0.166391     -6.140147      6.354302
  H      -0.338155     -6.126447      8.057578
  H       0.806491     -4.918568      7.460433
  H      -1.331021     -3.798598      7.695820
  H      -0.978457     -3.917811      5.978697
  H      -3.348318     -4.234370      6.757685
  H      -2.468276     -7.030322      7.634064
  H      -2.879063     -5.690744      8.696360
  H      -4.767411     -6.991951      6.793341
  H      -6.928145     -7.416233      7.472175
  H      -8.755176     -6.981297      9.076770
  H      -8.381266     -5.566769     11.088867
  H      -7.176972     -4.187365     12.520402
  H      -4.286969     -4.966805      9.882087
  N      -4.901580     -3.541977      4.973175
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.268947170319
  N      -3.681853     -4.026852      2.454218
  C      -3.292020     -4.858255      1.312291
  C      -2.665580     -6.169918      1.772604
  N      -3.492685     -6.796695      2.811417
  C      -4.717045     -7.434149      2.315265
  C      -5.816755     -7.391206      3.372216
  N      -5.956044     -6.047049      3.929997
  Mo     -4.339922     -4.886360      4.120326
  N      -2.919629     -5.636615      5.287976
  C      -2.027358     -6.681091      4.781402
  C      -2.743543     -7.592177      3.789211
  H      -1.648578     -7.309840      5.603894
  H      -1.133167     -6.232099      4.306428
  H      -3.471878     -8.209488      4.334258
  H      -2.023042     -8.277299      3.301093
  H      -6.747500     -7.722329      2.886257
  H      -5.606431     -8.138584      4.164422
  H      -5.053106     -6.864750      1.437114
  H      -4.534471     -8.478082      1.991181
  H      -2.557028     -4.334600      0.680464
  H      -4.164414     -5.063996      0.659573
  H      -1.684575     -5.954430      2.219427
  H      -2.503433     -6.847488      0.911982
  C      -2.756956     -0.399530      1.578985
  C      -2.669868     -1.924743      1.514822
  C      -3.906241     -2.608849      2.120268
  C      -5.190899     -2.435281      1.242877
  N      -6.151488     -1.493831      1.787007
  C      -6.343566     -0.206443      1.316906
  C      -6.109842      0.154377     -0.027675
  C      -6.352043      1.461149     -0.447470
  C      -6.833515      2.437069      0.424591
  C      -7.079405      2.077809      1.759765
  S      -7.684601      3.246509      2.953046
  C      -6.831271      0.777502      2.203150
  C      -9.494373     -6.423906      5.491261
  C      -8.301529     -6.795085      4.609278
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  C      -7.824485     -4.388546      3.918747
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  C      -9.368661     -1.905790      3.555065
  C     -10.015890     -0.680444      3.399388
  C      -9.784782      0.387063      4.263097
  C      -8.859273      0.216191      5.305225
  S      -8.485983      1.503010      6.465189
  C      -8.196274     -1.000787      5.472914
  C      -0.070192     -5.580620      7.172926
  C      -1.206831     -4.598816      6.868822
  C      -2.631704     -5.152805      6.646668
  C      -3.049328     -6.200819      7.694892
  N      -4.455003     -6.523505      7.620261
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  C      -6.745704     -6.696687      8.321741
  C      -7.770502     -6.369260      9.196951
  C      -7.546392     -5.556515     10.313969
  C      -6.252844     -5.072153     10.535836
  S      -5.851440     -4.028873     11.911145
  C      -5.203748     -5.387189      9.662528
  H      -1.849633      0.062904      1.166811
  H      -2.871063     -0.054886      2.618040
  H      -3.613734     -0.014267      1.007676
  H      -1.785383     -2.270147      2.075287
  H      -2.528554     -2.236985      0.466932
  H      -4.108294     -2.111731      3.079419
  H      -4.928686     -2.119272      0.225078
  H      -5.671733     -3.423973      1.147423
  H      -6.336555     -1.609376      2.780722
  H      -5.764146     -0.584055     -0.750738
  H      -6.163874      1.725163     -1.490612
  H      -7.016982      3.453896      0.076596
  H      -7.725805      4.304117      2.109542
  H      -7.009670      0.511332      3.248148
  H     -10.220097     -7.249203      5.525509
  H     -10.022668     -5.532836      5.123957
  H      -9.173125     -6.212024      6.522566
  H      -8.649965     -7.031528      3.588011
  H      -7.839669     -7.713609      5.008567
  H      -7.035917     -5.426281      5.619644
  H      -8.859307     -4.565742      3.589222
  H      -7.235657     -4.163981      3.007511
  H      -6.888787     -3.188860      5.304741
  H      -9.554713     -2.707949      2.843233
  H     -10.711784     -0.553184      2.567670
  H     -10.291638      1.340662      4.119826
  H      -9.105519      2.496736      5.786566
  H      -7.476703     -1.128796      6.285076
  H       0.188204     -6.215468      6.315243
  H      -0.310232     -6.239350      8.020842
  H       0.838194     -5.024215      7.447414
  H      -1.285844     -3.892913      7.711946
  H      -0.949033     -3.987700      5.989339
  H      -3.314648     -4.303660      6.789109
  H      -2.452106     -7.124104      7.594292
  H      -2.821025     -5.804970      8.692696
  H      -4.763856     -7.046384      6.810845
  H      -6.943702     -7.336947      7.459075
  H      -8.774229     -6.756469      9.011697
  H      -8.361472     -5.306577     10.991479
  H      -7.108068     -3.939394     12.401754
  H      -4.218007     -4.963954      9.851235
  N      -4.910936     -3.595044      5.030563
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.269762590066
  N      -3.715869     -4.022460      2.500829
  C      -3.320119     -4.834786      1.346354
  C      -2.688765     -6.152267      1.784300
  N      -3.510731     -6.797826      2.815991
  C      -4.739928     -7.420883      2.311213
  C      -5.835381     -7.399865      3.374007
  N      -5.959444     -6.071740      3.970619
  Mo     -4.342776     -4.913223      4.163554
  N      -2.908770     -5.680669      5.301998
  C      -2.025160     -6.721537      4.771516
  C      -2.754957     -7.615068      3.771783
  H      -1.639964     -7.362938      5.581312
  H      -1.134106     -6.269083      4.293862
  H      -3.479873     -8.239151      4.314632
  H      -2.042851     -8.294030      3.262503
  H      -6.772567     -7.708432      2.883712
  H      -5.627878     -8.171415      4.143105
  H      -5.078429     -6.825229      1.451536
  H      -4.562084     -8.455768      1.956750
  H      -2.585616     -4.299015      0.724068
  H      -4.190522     -5.031635      0.688954
  H      -1.706781     -5.941991      2.231050
  H      -2.527846     -6.815242      0.912210
  C      -2.820807     -0.362473      1.724342
  C      -2.714769     -1.884347      1.633173
  C      -3.957146     -2.600162      2.191476
  C      -5.229106     -2.418940      1.298680
  N      -6.180753     -1.461092      1.828250
  C      -6.361840     -0.177315      1.344690
  C      -6.124932      0.170764     -0.003012
  C      -6.360562      1.475192     -0.433419
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  S      -7.646358      3.304957      2.960996
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  C      -9.503860     -6.455047      5.501295
  C      -8.299821     -6.822646      4.631589
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  C      -7.837647     -4.419406      3.918538
  N      -7.838308     -3.305730      4.847663
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  C      -9.779569      0.370487      4.140146
  C      -8.875316      0.216168      5.203172
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  C      -1.173943     -4.657270      6.868592
  C      -2.601577     -5.211940      6.664523
  C      -2.993059     -6.271831      7.709909
  N      -4.393680     -6.605726      7.648438
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  C      -7.725157     -6.324664      9.170904
  C      -7.503606     -5.460651     10.248644
  C      -6.207135     -4.974415     10.453900
  S      -5.801284     -3.870605     11.780689
  C      -5.153755     -5.341828      9.605400
  H      -1.903653      0.117281      1.353863
  H      -2.974681     -0.040929      2.765294
  H      -3.661240      0.026844      1.130734
  H      -1.842379     -2.230981      2.211362
  H      -2.540612     -2.173299      0.583963
  H      -4.186862     -2.129849      3.158436
  H      -4.951433     -2.114605      0.281233
  H      -5.723154     -3.402253      1.207084
  H      -6.369371     -1.562008      2.822539
  H      -5.782507     -0.575974     -0.720279
  H      -6.173685      1.728757     -1.477898
  H      -7.002016      3.479319      0.077497
  H      -7.677169      4.357740      2.111748
  H      -7.022722      0.560556      3.271518
  H     -10.225888     -7.282347      5.532026
  H     -10.031420     -5.565743      5.123460
  H      -9.193991     -6.236680      6.534711
  H      -8.639623     -7.067498      3.610755
  H      -7.830698     -7.734780      5.035818
  H      -7.054192     -5.432350      5.639290
  H      -8.871236     -4.603727      3.586608
  H      -7.243232     -4.205217      3.007663
  H      -6.926355     -3.205851      5.313587
  H      -9.532653     -2.752051      2.778375
  H     -10.670080     -0.593768      2.439282
  H     -10.279046      1.323280      3.969072
  H      -9.129474      2.507055      5.643212
  H      -7.513786     -1.115027      6.230231
  H       0.206585     -6.264813      6.262367
  H      -0.248589     -6.308314      7.979117
  H       0.883907     -5.085530      7.390743
  H      -1.235698     -3.964468      7.724192
  H      -0.935610     -4.032155      5.992957
  H      -3.283576     -4.367110      6.829095
  H      -2.387485     -7.186769      7.597077
  H      -2.759559     -5.880283      8.707825
  H      -4.706781     -7.136495      6.847233
  H      -6.887859     -7.390580      7.495290
  H      -8.730958     -6.713130      8.996190
  H      -8.321622     -5.172694     10.908197
  H      -7.062575     -3.721972     12.247916
  H      -4.165822     -4.915230      9.778428
  N      -4.913913     -3.640569      5.099738
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.270643873819
  N      -3.743166     -4.005178      2.549971
  C      -3.333181     -4.789202      1.381096
  C      -2.699491     -6.114180      1.792232
  N      -3.522809     -6.784996      2.806909
  C      -4.751709     -7.394104      2.284183
  C      -5.846543     -7.402922      3.348055
  N      -5.964122     -6.094273      3.987300
  Mo     -4.351393     -4.935384      4.198748
  N      -2.910487     -5.724181      5.313421
  C      -2.030812     -6.755619      4.757682
  C      -2.766622     -7.626295      3.741770
  H      -1.643512     -7.414074      5.552613
  H      -1.140776     -6.295073      4.286114
  H      -3.491872     -8.259014      4.274218
  H      -2.059235     -8.296468      3.214612
  H      -6.785382     -7.693197      2.850369
  H      -5.639817     -8.198891      4.091958
  H      -5.090406     -6.771615      1.443755
  H      -4.573542     -8.417407      1.897940
  H      -2.595560     -4.235817      0.777362
  H      -4.197493     -4.973515      0.712377
  H      -1.719605     -5.911233      2.246809
  H      -2.533888     -6.756863      0.905943
  C      -2.863088     -0.319187      1.884390
  C      -2.738666     -1.838148      1.773963
  C      -3.994123     -2.579792      2.266543
  C      -5.233191     -2.395864      1.331536
  N      -6.197612     -1.431733      1.824636
  C      -6.367077     -0.151653      1.328068
  C      -6.092037      0.191632     -0.013461
  C      -6.324950      1.492270     -0.457113
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  S      -7.727864      3.325605      2.889580
  C      -6.876624      0.844363      2.187574
  C      -9.496792     -6.485604      5.542083
  C      -8.298423     -6.853706      4.664820
  C      -7.263684     -5.722949      4.603408
  C      -7.855173     -4.455537      3.921472
  N      -7.841676     -3.328012      4.834242
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  C      -9.374870     -1.976757      3.465663
  C     -10.013711     -0.752714      3.265117
  C      -9.783221      0.342170      4.095644
  C      -8.860270      0.204605      5.144544
  S      -8.467261      1.536999      6.247162
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  C      -0.013715     -5.710695      7.111560
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  C      -2.967243     -6.363265      7.711648
  N      -4.367246     -6.698479      7.670151
  C      -5.348767     -6.233691      8.513511
  C      -6.676484     -6.686593      8.322817
  C      -7.700167     -6.235718      9.144494
  C      -7.456934     -5.334768     10.186531
  C      -6.146513     -4.881727     10.379330
  S      -5.710701     -3.738063     11.662505
  C      -5.101160     -5.317085      9.553275
  H      -1.931904      0.173322      1.569632
  H      -3.072815     -0.015888      2.921001
  H      -3.674432      0.074031      1.254377
  H      -1.889248     -2.186804      2.383973
  H      -2.516388     -2.108144      0.728769
  H      -4.267163     -2.136759      3.235287
  H      -4.918290     -2.097321      0.323145
  H      -5.729706     -3.376754      1.227542
  H      -6.418811     -1.525335      2.813058
  H      -5.722026     -0.555972     -0.715914
  H      -6.109869      1.742472     -1.497117
  H      -7.000136      3.492856      0.024075
  H      -7.768013      4.368925      2.029302
  H      -7.088716      0.589675      3.229960
  H     -10.217964     -7.313331      5.580745
  H     -10.026848     -5.598177      5.163465
  H      -9.179761     -6.262546      6.571796
  H      -8.648613     -7.108568      3.650532
  H      -7.818584     -7.759543      5.070056
  H      -7.054682     -5.444384      5.648739
  H      -8.893937     -4.644363      3.607870
  H      -7.273187     -4.254728      2.999208
  H      -6.928979     -3.228125      5.297278
  H      -9.566434     -2.804356      2.783600
  H     -10.704661     -0.648945      2.426999
  H     -10.282690      1.293478      3.915730
  H      -9.096989      2.505645      5.543489
  H      -7.484273     -1.111403      6.170939
  H       0.210757     -6.318616      6.225376
  H      -0.219931     -6.395683      7.947113
  H       0.902721     -5.159921      7.366632
  H      -1.215339     -4.050383      7.751249
  H      -0.937362     -4.082429      6.015304
  H      -3.274647     -4.441719      6.871025
  H      -2.365000     -7.275713      7.571007
  H      -2.717933     -5.992796      8.714438
  H      -4.695111     -7.224547      6.871194
  H      -6.886906     -7.400198      7.522902
  H      -8.717049     -6.598544      8.979067
  H      -8.268600     -4.993835     10.828540
  H      -6.969827     -3.516044     12.106464
  H      -4.100921     -4.913966      9.713706
  N      -4.934450     -3.689626      5.163550
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.271669545446
  N      -3.754751     -3.980973      2.597885
  C      -3.329220     -4.740656      1.421732
  C      -2.697783     -6.070734      1.816307
  N      -3.526671     -6.758588      2.813879
  C      -4.755869     -7.349683      2.271703
  C      -5.856009     -7.375355      3.328082
  N      -5.968939     -6.083867      4.002443
  Mo     -4.349721     -4.941093      4.239228
  N      -2.907951     -5.760025      5.336047
  C      -2.033523     -6.785374      4.762914
  C      -2.775995     -7.627489      3.727744
  H      -1.658262     -7.464094      5.546420
  H      -1.137979     -6.322863      4.305237
  H      -3.504710     -8.265931      4.248486
  H      -2.076045     -8.290831      3.182879
  H      -6.792215     -7.646001      2.816659
  H      -5.659426     -8.192360      4.052856
  H      -5.087299     -6.704550      1.445236
  H      -4.580762     -8.363531      1.861607
  H      -2.583336     -4.174872      0.837302
  H      -4.186512     -4.911433      0.740173
  H      -1.721250     -5.872876      2.280876
  H      -2.525431     -6.698392      0.920149
  C      -2.860358     -0.294600      1.966168
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  C      -6.276628      1.492628     -0.526014
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  S      -7.903281      3.329274      2.715662
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  C      -9.504622     -6.487973      5.558723
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  C      -9.428492     -1.984568      3.507106
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  C      -9.804954      0.340831      4.137511
  C      -8.834154      0.211311      5.143850
  S      -8.382874      1.562516      6.202815
  C      -8.176732     -1.003038      5.339599
  C       0.000471     -5.761811      7.113879
  C      -1.158695     -4.779611      6.913430
  C      -2.587069     -5.337761      6.710815
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  N      -4.346622     -6.804912      7.684634
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  C      -7.410827     -5.305677     10.150975
  C      -6.092038     -4.865325     10.319359
  S      -5.632309     -3.687500     11.564628
  C      -5.062526     -5.339596      9.496965
  H      -1.915945      0.188303      1.677209
  H      -3.099277      0.018592      2.993649
  H      -3.647994      0.100234      1.309320
  H      -1.909051     -2.163067      2.504109
  H      -2.491353     -2.093196      0.832321
  H      -4.306470     -2.122881      3.296126
  H      -4.866730     -2.091575      0.363164
  H      -5.722473     -3.348419      1.264822
  H      -6.441235     -1.465774      2.796443
  H      -5.606132     -0.541747     -0.718361
  H      -6.025884      1.731178     -1.562648
  H      -7.045840      3.474844     -0.116265
  H      -7.949684      4.352081      1.831590
  H      -7.169512      0.628116      3.135104
  H     -10.225805     -7.316713      5.602805
  H     -10.033341     -5.604463      5.176282
  H      -9.180909     -6.259023      6.582101
  H      -8.671405     -7.107056      3.667150
  H      -7.828287     -7.758351      5.077242
  H      -7.066002     -5.434345      5.652798
  H      -8.931535     -4.654773      3.639619
  H      -7.326699     -4.271851      2.985280
  H      -6.939054     -3.229035      5.285410
  H      -9.652891     -2.816066      2.841049
  H     -10.804086     -0.659916      2.520145
  H     -10.311295      1.291847      3.971584
  H      -9.028941      2.523027      5.503637
  H      -7.421096     -1.099554      6.123273
  H       0.209982     -6.360897      6.218252
  H      -0.189226     -6.455948      7.945167
  H       0.919415     -5.209032      7.358518
  H      -1.205913     -4.123854      7.798950
  H      -0.944711     -4.113661      6.061098
  H      -3.273802     -4.504838      6.915064
  H      -2.341395     -7.349190      7.560119
  H      -2.701365     -6.091589      8.735091
  H      -4.666342     -7.320784      6.869836
  H      -6.888006     -7.463439      7.549369
  H      -8.698472     -6.585272      8.993354
  H      -8.211771     -4.933711     10.790126
  H      -6.884451     -3.433181     12.009038
  H      -4.053427     -4.947225      9.632146
  N      -4.935814     -3.710390      5.223027
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.272725280037
  N      -3.799192     -3.967107      2.655685
  C      -3.364187     -4.697192      1.463913
  C      -2.721889     -6.030519      1.829053
  N      -3.543611     -6.746001      2.812930
  C      -4.770918     -7.332036      2.261227
  C      -5.867120     -7.387345      3.320620
  N      -5.979118     -6.114564      4.029488
  Mo     -4.367940     -4.966420      4.283008
  N      -2.910327     -5.797362      5.351088
  C      -2.037343     -6.807878      4.750140
  C      -2.784791     -7.631033      3.703835
  H      -1.654047     -7.501338      5.516567
  H      -1.146771     -6.333395      4.295160
  H      -3.508289     -8.281180      4.216955
  H      -2.086834     -8.281364      3.141127
  H      -6.805256     -7.646391      2.806105
  H      -5.666355     -8.222017      4.023563
  H      -5.109235     -6.670925      1.450317
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  H      -2.621862     -4.112752      0.893744
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  H      -1.746149     -5.834927      2.296234
  H      -2.546083     -6.637331      0.919271
  C      -2.937584     -0.256448      2.118102
  C      -2.796346     -1.773239      2.001170
  C      -4.064710     -2.538691      2.416706
  C      -5.255173     -2.346689      1.428494
  N      -6.213520     -1.345096      1.850065
  C      -6.361010     -0.086313      1.301190
  C      -6.001160      0.222938     -0.027785
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  C      -9.508689     -6.542180      5.589396
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  C      -7.357492     -5.176742     10.055038
  C      -6.028864     -4.765390     10.216576
  S      -5.550138     -3.535427     11.402815
  C      -5.004984     -5.311413      9.432840
  H      -1.990429      0.241369      1.865828
  H      -3.210711      0.037715      3.142833
  H      -3.709462      0.140231      1.443774
  H      -1.977024     -2.122761      2.650033
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  H      -4.387916     -2.131664      3.386100
  H      -4.880600     -2.078134      0.432018
  H      -5.770498     -3.317247      1.326611
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  H      -5.565502     -0.536393     -0.675918
  H      -5.948555      1.727966     -1.560925
  H      -6.995032      3.496814     -0.165506
  H      -7.957322      4.401542      1.743145
  H      -7.217362      0.695564      3.120823
  H     -10.222847     -7.376670      5.637998
  H     -10.045308     -5.664935      5.203718
  H      -9.185235     -6.305662      6.611448
  H      -8.675629     -7.165367      3.699344
  H      -7.819384     -7.798330      5.110884
  H      -7.083536     -5.457856      5.667402
  H      -8.951131     -4.706098      3.649195
  H      -7.348696     -4.337371      2.980365
  H      -6.948602     -3.267733      5.274839
  H      -9.665017     -2.866908      2.823230
  H     -10.798710     -0.706055      2.473649
  H     -10.280780      1.263898      3.890198
  H      -8.980669      2.506866      5.394844
  H      -7.401991     -1.118839      6.067383
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  H      -0.153713     -6.523407      7.911194
  H       0.940759     -5.262314      7.328069
  H      -1.184819     -4.195988      7.819642
  H      -0.947405     -4.152360      6.079121
  H      -3.262352     -4.574148      6.957830
  H      -2.309167     -7.426755      7.530929
  H      -2.643975     -6.195691      8.739381
  H      -4.635602     -7.412474      6.902044
  H      -6.870672     -7.480400      7.573565
  H      -8.669227     -6.477371      8.949254
  H      -8.154232     -4.748750     10.663459
  H      -6.799981     -3.219444     11.812087
  H      -3.987437     -4.940670      9.559337
  N      -4.966820     -3.763699      5.293691
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.273865086328
  N      -3.832647     -3.959102      2.713958
  C      -3.391469     -4.662658      1.506975
  C      -2.745352     -6.001144      1.844295
  N      -3.565612     -6.738305      2.812227
  C      -4.793391     -7.314013      2.251587
  C      -5.886972     -7.390176      3.312803
  N      -5.994953     -6.133960      4.051465
  Mo     -4.385753     -4.990617      4.325527
  N      -2.914387     -5.838292      5.366490
  C      -2.049457     -6.839239      4.738634
  C      -2.805633     -7.640416      3.682921
  H      -1.662774     -7.549550      5.487788
  H      -1.160625     -6.358628      4.286347
  H      -3.528029     -8.297523      4.188160
  H      -2.111171     -8.282233      3.105992
  H      -6.828320     -7.635207      2.795165
  H      -5.687728     -8.239556      3.997519
  H      -5.134616     -6.641497      1.451457
  H      -4.613678     -8.310340      1.801757
  H      -2.650341     -4.064965      0.951501
  H      -4.242590     -4.814614      0.813547
  H      -1.770591     -5.811879      2.316081
  H      -2.566792     -6.588810      0.922573
  C      -3.005250     -0.222477      2.279871
  C      -2.838282     -1.734516      2.133664
  C      -4.104576     -2.525445      2.505694
  C      -5.278079     -2.320371      1.497261
  N      -6.230080     -1.303712      1.894437
  C      -6.359756     -0.053669      1.322310
  C      -5.953127      0.233738      0.001404
  C      -6.159592      1.507450     -0.527112
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  S      -7.958902      3.454935      2.553569
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  C      -9.512628     -6.604254      5.610422
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  C      -7.925349     -4.550534      3.926827
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  C      -8.817466      0.161510      5.035447
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  C      -2.869065     -6.604811      7.730760
  N      -4.262452     -6.986103      7.751019
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  C      -7.296808     -5.032218      9.929740
  C      -5.960660     -4.645934     10.086607
  S      -5.470713     -3.350024     11.194365
  C      -4.941022     -5.271234      9.359136
  H      -2.059529      0.294404      2.063143
  H      -3.308887      0.045051      3.303451
  H      -3.765740      0.177046      1.594168
  H      -2.026992     -2.085584      2.792226
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  H      -4.883886     -2.057936      0.506451
  H      -5.803310     -3.285393      1.389042
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  H      -5.495826     -0.536761     -0.619157
  H      -5.842386      1.712883     -1.551503
  H      -6.930308      3.508071     -0.224487
  H      -7.964350      4.444730      1.631199
  H      -7.276658      0.762790      3.101553
  H     -10.212484     -7.449967      5.662133
  H     -10.066711     -5.735857      5.226228
  H      -9.189319     -6.360950      6.633027
  H      -8.674086     -7.217107      3.715351
  H      -7.805810     -7.836304      5.128592
  H      -7.112198     -5.481273      5.680763
  H      -8.972981     -4.748107      3.654928
  H      -7.372582     -4.385583      2.980571
  H      -6.971718     -3.300885      5.279804
  H      -9.680720     -2.906739      2.807429
  H     -10.808594     -0.746290      2.441881
  H     -10.289149      1.231436      3.844522
  H      -8.989980      2.479661      5.338535
  H      -7.413228     -1.141241      6.038402
  H       0.227484     -6.443919      6.135269
  H      -0.111677     -6.587245      7.872283
  H       0.967457     -5.317129      7.281375
  H      -1.155779     -4.267638      7.828892
  H      -0.944747     -4.194717      6.086233
  H      -3.241684     -4.642157      6.997124
  H      -2.270819     -7.500134      7.504623
  H      -2.570311     -6.290227      8.740840
  H      -4.589669     -7.501805      6.943685
  H      -6.841540     -7.500592      7.605210
  H      -8.628378     -6.366556      8.890096
  H      -8.090441     -4.543518     10.494384
  H      -6.720025     -2.974961     11.549754
  H      -3.916846     -4.921891      9.479729
  N      -4.988297     -3.806191      5.356118
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.274808231565
  N      -3.871160     -3.949811      2.773618
  C      -3.419933     -4.622360      1.553069
  C      -2.764719     -5.963207      1.862433
  N      -3.580647     -6.726399      2.813415
  C      -4.806252     -7.294421      2.240950
  C      -5.899388     -7.397431      3.300541
  N      -6.007343     -6.161371      4.073439
  Mo     -4.403555     -5.017915      4.368281
  N      -2.918322     -5.877033      5.382904
  C      -2.055631     -6.864113      4.730414
  C      -2.816047     -7.644880      3.662649
  H      -1.663412     -7.589248      5.462493
  H      -1.170050     -6.373344      4.282847
  H      -3.535245     -8.312789      4.158232
  H      -2.122858     -8.274214      3.070335
  H      -6.840983     -7.628136      2.777032
  H      -5.700884     -8.263999      3.963162
  H      -5.150589     -6.607556      1.454502
  H      -4.622922     -8.280563      1.770557
  H      -2.681085     -4.006460      1.013916
  H      -4.267189     -4.764961      0.853115
  H      -1.791804     -5.777060      2.339169
  H      -2.580650     -6.529609      0.928457
  C      -3.059905     -0.199412      2.433020
  C      -2.882503     -1.708258      2.266909
  C      -4.151933     -2.514331      2.594067
  C      -5.304993     -2.299521      1.565213
  N      -6.246310     -1.263217      1.934061
  C      -6.362796     -0.024991      1.336039
  C      -5.922643      0.242417      0.021459
  C      -6.116296      1.507591     -0.532104
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  C      -7.950517     -4.594928      3.930791
  N      -7.887040     -3.426155      4.787760
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  C      -9.782266      0.251423      4.001199
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  C      -1.116979     -4.939095      6.925999
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  N      -4.228429     -7.061729      7.784592
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  H      -2.109185      0.323549      2.255877
  H      -3.397051      0.049560      3.450767
  H      -3.798736      0.209558      1.729946
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  H      -5.447975     -0.536243     -0.574946
  H      -5.772434      1.697228     -1.551051
  H      -6.894479      3.512656     -0.280686
  H      -7.985849      4.474184      1.534033
  H      -7.324376      0.819309      3.077038
  H     -10.216652     -7.502052      5.686001
  H     -10.083227     -5.789394      5.240180
  H      -9.200083     -6.400047      6.649097
  H      -8.682222     -7.267325      3.736665
  H      -7.806469     -7.873053      5.150507
  H      -7.135349     -5.507764      5.692152
  H      -9.002256     -4.792894      3.674251
  H      -7.408403     -4.442901      2.976186
  H      -6.983479     -3.340222      5.272596
  H      -9.706293     -2.948355      2.809991
  H     -10.822187     -0.783182      2.433913
  H     -10.275856      1.204396      3.811521
  H      -8.955879      2.458595      5.277971
  H      -7.391588     -1.165124      5.998502
  H       0.233462     -6.478797      6.108528
  H      -0.077617     -6.636620      7.849252
  H       0.985524     -5.356425      7.251221
  H      -1.137875     -4.327104      7.843151
  H      -0.948118     -4.231029      6.098908
  H      -3.230486     -4.703216      7.031942
  H      -2.245127     -7.565139      7.487291
  H      -2.515841     -6.373217      8.747386
  H      -4.556260     -7.576204      6.975297
  H      -6.821686     -7.498813      7.611160
  H      -8.592991     -6.246187      8.806357
  H      -8.024744     -4.356236     10.318643
  H      -6.625309     -2.771425     11.306503
  H      -3.848631     -4.916816      9.400765
  N      -5.015415     -3.857252      5.420464
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.275644981256
  N      -3.888484     -3.941202      2.822822
  C      -3.431330     -4.583718      1.589022
  C      -2.772844     -5.928664      1.872106
  N      -3.591153     -6.712727      2.802389
  C      -4.816491     -7.267666      2.219172
  C      -5.913016     -7.387988      3.274754
  N      -6.021931     -6.168806      4.078167
  Mo     -4.416063     -5.037642      4.397429
  N      -2.917265     -5.911528      5.388022
  C      -2.063472     -6.892169      4.715212
  C      -2.831103     -7.648630      3.635878
  H      -1.671009     -7.635436      5.429936
  H      -1.176660     -6.398525      4.272896
  H      -3.552617     -8.322763      4.120039
  H      -2.138367     -8.271212      3.034636
  H      -6.853911     -7.600549      2.742655
  H      -5.723986     -8.268811      3.919784
  H      -5.158231     -6.574047      1.437888
  H      -4.635660     -8.249551      1.738040
  H      -2.693934     -3.951347      1.066469
  H      -4.274485     -4.715703      0.882183
  H      -1.802634     -5.749490      2.356753
  H      -2.581588     -6.475045      0.927492
  C      -3.076222     -0.184516      2.559370
  C      -2.897112     -1.691354      2.372930
  C      -4.171052     -2.502813      2.670940
  C      -5.311859     -2.282010      1.628880
  N      -6.235296     -1.221225      1.965409
  C      -6.351265     -0.010100      1.318143
  C      -5.863568      0.226776      0.013014
  C      -6.049992      1.473164     -0.584016
  C      -6.715461      2.511807      0.065340
  C      -7.204395      2.277566      1.360701
  S      -8.061681      3.523546      2.291303
  C      -7.019144      1.043078      1.979839
  C      -9.527738     -6.699811      5.628642
  C      -8.332584     -7.023447      4.732414
  C      -7.351431     -5.846155      4.657479
  C      -7.985690     -4.617841      3.949841
  N      -7.897664     -3.448920      4.802882
  C      -8.505232     -2.249375      4.505032
  C      -9.484090     -2.110784      3.496050
  C     -10.109222     -0.879540      3.298873
  C      -9.797028      0.237983      4.070473
  C      -8.797325      0.115685      5.050758
  S      -8.293626      1.490140      6.054466
  C      -8.152297     -1.104713      5.258111
  C       0.081675     -5.938194      7.019811
  C      -1.102345     -4.970548      6.919696
  C      -2.524574     -5.550742      6.759518
  C      -2.806833     -6.708238      7.741904
  N      -4.205113     -7.096560      7.806575
  C      -5.174003     -6.309117      8.413629
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  C      -7.523300     -5.886594      8.860677
  C      -7.207729     -4.807882      9.689090
  C      -5.859037     -4.481241      9.872747
  S      -5.345616     -3.124620     10.893153
  C      -4.849454     -5.222738      9.246550
  H      -2.121044      0.340619      2.413059
  H      -3.436627      0.044927      3.573434
  H      -3.798084      0.236063      1.846897
  H      -2.109992     -2.053878      3.054238
  H      -2.546358     -1.892775      1.346746
  H      -4.547531     -2.162703      3.647059
  H      -4.885046     -2.065598      0.641978
  H      -5.864249     -3.234610      1.537752
  H      -6.621246     -1.250213      2.907019
  H      -5.354990     -0.558524     -0.544478
  H      -5.666253      1.637389     -1.592744
  H      -6.852855      3.478387     -0.419706
  H      -8.026209      4.478228      1.333632
  H      -7.395904      0.874316      2.989895
  H     -10.212615     -7.556771      5.691445
  H     -10.102751     -5.841152      5.250558
  H      -9.196373     -6.447723      6.646312
  H      -8.689899     -7.294528      3.725600
  H      -7.809241     -7.906082      5.131633
  H      -7.166242     -5.543224      5.699941
  H      -9.044709     -4.813464      3.717708
  H      -7.466782     -4.464147      2.982977
  H      -6.993954     -3.374493      5.285380
  H      -9.746929     -2.956613      2.861515
  H     -10.861331     -0.786218      2.513035
  H     -10.293424      1.192434      3.895501
  H      -8.961306      2.434796      5.352134
  H      -7.373729     -1.192674      6.019164
  H       0.247759     -6.509536      6.097666
  H      -0.045685     -6.658174      7.841284
  H       1.004194     -5.376294      7.225325
  H      -1.122805     -4.362430      7.839880
  H      -0.938268     -4.259239      6.094190
  H      -3.210679     -4.739492      7.037075
  H      -2.230982     -7.605783      7.472713
  H      -2.461962     -6.418956      8.747366
  H      -4.526045     -7.594930      6.979471
  H      -6.802652     -7.469173      7.581022
  H      -8.571910     -6.152042      8.712859
  H      -7.994682     -4.233851     10.179039
  H      -6.588546     -2.658591     11.151436
  H      -3.808292     -4.934564      9.396605
  N      -5.016902     -3.881339      5.460468
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.276558978873
  N      -3.938882     -3.929471      2.869803
  C      -3.465804     -4.543364      1.627680
  C      -2.797634     -5.888022      1.889258
  N      -3.614579     -6.695742      2.800684
  C      -4.834880     -7.244344      2.200890
  C      -5.935455     -7.393466      3.248435
  N      -6.047573     -6.196890      4.084535
  Mo     -4.450849     -5.059183      4.425534
  N      -2.942413     -5.936486      5.398790
  C      -2.085480     -6.902604      4.709783
  C      -2.851217     -7.643996      3.617984
  H      -1.688209     -7.655296      5.412231
  H      -1.201263     -6.397968      4.274610
  H      -3.570536     -8.328057      4.091482
  H      -2.157677     -8.254637      3.005708
  H      -6.874765     -7.591620      2.707919
  H      -5.748256     -8.291156      3.870209
  H      -5.176564     -6.534109      1.434633
  H      -4.647536     -8.213956      1.697918
  H      -2.730160     -3.894039      1.123998
  H      -4.302375     -4.668237      0.911793
  H      -1.831549     -5.710310      2.382575
  H      -2.596405     -6.414885      0.935684
  C      -3.153430     -0.158693      2.717406
  C      -2.958384     -1.660401      2.506681
  C      -4.233192     -2.490585      2.745188
  C      -5.343472     -2.257495      1.676853
  N      -6.246655     -1.170922      1.980406
  C      -6.336325      0.030703      1.313610
  C      -5.804334      0.253909      0.023688
  C      -5.969432      1.494908     -0.591149
  C      -6.654223      2.541316      0.025851
  C      -7.184790      2.320492      1.307143
  S      -8.071441      3.573714      2.199157
  C      -7.022922      1.091560      1.942370
  C      -9.536269     -6.771453      5.654084
  C      -8.345637     -7.078460      4.745968
  C      -7.380269     -5.887991      4.659491
  C      -8.029167     -4.671892      3.944578
  N      -7.908154     -3.487979      4.773158
  C      -8.501727     -2.285121      4.464425
  C      -9.500295     -2.149795      3.474369
  C     -10.108828     -0.911996      3.266413
  C      -9.758749      0.215908      4.006862
  C      -8.737934      0.096577      4.965144
  S      -8.180059      1.484935      5.920242
  C      -8.110816     -1.130842      5.184621
  C       0.080757     -5.940356      6.965970
  C      -1.113892     -4.983443      6.899790
  C      -2.533348     -5.578134      6.766700
  C      -2.779581     -6.741448      7.751962
  N      -4.170654     -7.147003      7.858451
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  C      -6.496221     -6.644410      8.273138
  C      -7.473182     -5.871171      8.889157
  C      -7.142201     -4.758906      9.665210
  C      -5.789698     -4.431621      9.817545
  S      -5.255815     -3.034914     10.771857
  C      -4.791663     -5.205754      9.212686
  H      -2.195575      0.373208      2.621966
  H      -3.555859      0.047108      3.720621
  H      -3.847252      0.274888      1.985020
  H      -2.192733     -2.031719      3.207253
  H      -2.571646     -1.838805      1.489553
  H      -4.643513     -2.178756      3.717264
  H      -4.887937     -2.065457      0.697491
  H      -5.916916     -3.197869      1.586093
  H      -6.663686     -1.184164      2.909007
  H      -5.276667     -0.536396     -0.508762
  H      -5.552871      1.648578     -1.588571
  H      -6.774341      3.503057     -0.473193
  H      -8.011111      4.519526      1.234147
  H      -7.435592      0.931653      2.939762
  H     -10.207451     -7.638445      5.727536
  H     -10.127961     -5.923118      5.279604
  H      -9.196814     -6.511024      6.666175
  H      -8.710457     -7.357767      3.744423
  H      -7.804550     -7.952089      5.141418
  H      -7.194542     -5.575854      5.698572
  H      -9.094958     -4.864455      3.744448
  H      -7.534635     -4.539333      2.961259
  H      -6.999424     -3.421035      5.246909
  H      -9.792601     -3.004000      2.864576
  H     -10.877252     -0.821398      2.496148
  H     -10.241782      1.175601      3.822617
  H      -8.851176      2.425807      5.216422
  H      -7.315635     -1.217003      5.929071
  H       0.225034     -6.509603      6.038570
  H      -0.017392     -6.662518      7.789475
  H       1.004037     -5.370857      7.145941
  H      -1.118956     -4.380533      7.823575
  H      -0.975743     -4.265954      6.074553
  H      -3.222733     -4.775503      7.060252
  H      -2.203285     -7.632740      7.464369
  H      -2.410475     -6.453407      8.749243
  H      -4.501253     -7.651741      7.039078
  H      -6.774677     -7.511458      7.669944
  H      -8.524732     -6.138431      8.769011
  H      -7.920196     -4.160247     10.139784
  H      -6.492244     -2.548787     11.024948
  H      -3.747319     -4.917728      9.338048
  N      -5.063872     -3.925594      5.505688
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.277349103252
  N      -3.981922     -3.915970      2.911170
  C      -3.500639     -4.504582      1.660129
  C      -2.825651     -5.849907      1.900000
  N      -3.640620     -6.676914      2.796339
  C      -4.860424     -7.214168      2.185473
  C      -5.961040     -7.388672      3.228771
  N      -6.069052     -6.216487      4.098979
  Mo     -4.476245     -5.074597      4.450451
  N      -2.957145     -5.956833      5.400353
  C      -2.104514     -6.915051      4.696650
  C      -2.875422     -7.639336      3.596212
  H      -1.704989     -7.677280      5.387600
  H      -1.221136     -6.405833      4.265227
  H      -3.594545     -8.328868      4.062029
  H      -2.186419     -8.242255      2.971829
  H      -6.902091     -7.566857      2.684057
  H      -5.776669     -8.304500      3.824252
  H      -5.202100     -6.485431      1.436825
  H      -4.672788     -8.171391      1.659506
  H      -2.767742     -3.841020      1.171317
  H      -4.334271     -4.621191      0.939420
  H      -1.861227     -5.676180      2.397956
  H      -2.619910     -6.359165      0.937909
  C      -3.217530     -0.136361      2.852839
  C      -3.014793     -1.633259      2.615106
  C      -4.287848     -2.477538      2.811278
  C      -5.380389     -2.235155      1.731770
  N      -6.248450     -1.115921      2.010709
  C      -6.317224      0.070996      1.317703
  C      -5.750123      0.272336      0.039827
  C      -5.896559      1.504095     -0.598607
  C      -6.595573      2.561986     -0.016975
  C      -7.159218      2.362768      1.253963
  S      -8.071417      3.626712      2.104455
  C      -7.016854      1.143519      1.910764
  C      -9.534711     -6.850780      5.694865
  C      -8.348138     -7.131664      4.772506
  C      -7.402851     -5.924337      4.676901
  C      -8.075357     -4.723605      3.959370
  N      -7.915944     -3.522621      4.756956
  C      -8.492611     -2.317278      4.431432
  C      -9.507727     -2.186348      3.457686
  C     -10.097599     -0.942621      3.232932
  C      -9.710789      0.195587      3.939465
  C      -8.673302      0.079560      4.879780
  S      -8.065487      1.479573      5.786258
  C      -8.065069     -1.154017      5.116282
  C       0.089317     -5.933668      6.922606
  C      -1.114393     -4.987224      6.872647
  C      -2.531888     -5.594065      6.762432
  C      -2.753490     -6.755752      7.753738
  N      -4.140371     -7.171404      7.887024
  C      -5.100649     -6.334492      8.444395
  C      -6.466122     -6.655930      8.292797
  C      -7.441881     -5.864355      8.887997
  C      -7.107153     -4.734268      9.636981
  C      -5.753649     -4.408230      9.783489
  S      -5.212936     -2.990589     10.703281
  C      -4.757936     -5.199039      9.196689
  H      -2.257559      0.396809      2.796241
  H      -3.646940      0.047527      3.849234
  H      -3.890408      0.314615      2.111647
  H      -2.262972     -2.016160      3.324299
  H      -2.606425     -1.790464      1.603141
  H      -4.720439     -2.190842      3.781280
  H      -4.911032     -2.080711      0.751710
  H      -5.982327     -3.159407      1.657557
  H      -6.685904     -1.108390      2.930458
  H      -5.207077     -0.525622     -0.465298
  H      -5.453481      1.640865     -1.587482
  H      -6.701099      3.515266     -0.535222
  H      -7.992558      4.558627      1.127506
  H      -7.458294      0.998631      2.897801
  H     -10.186380     -7.731949      5.777409
  H     -10.148838     -6.016050      5.327658
  H      -9.188028     -6.583103      6.702384
  H      -8.719379     -7.418317      3.775173
  H      -7.785395     -7.995152      5.160526
  H      -7.215017     -5.604485      5.713138
  H      -9.148552     -4.914392      3.804682
  H      -7.617721     -4.615437      2.954266
  H      -7.001209     -3.463148      5.221463
  H      -9.827919     -3.049519      2.875618
  H     -10.879679     -0.855598      2.475919
  H     -10.179157      1.160117      3.742053
  H      -8.741485      2.416649      5.082597
  H      -7.257181     -1.239184      5.847893
  H       0.218522     -6.510327      5.997571
  H       0.014364     -6.649648      7.754018
  H       1.011874     -5.355410      7.077752
  H      -1.109283     -4.381385      7.794380
  H      -0.995585     -4.270786      6.043207
  H      -3.223228     -4.796147      7.063665
  H      -2.176259     -7.643868      7.457701
  H      -2.369759     -6.464142      8.744207
  H      -4.478234     -7.679895      7.073035
  H      -6.746684     -7.537713      7.712165
  H      -8.494374     -6.130997      8.774318
  H      -7.883247     -4.121206     10.095459
  H      -6.445979     -2.489519     10.944977
  H      -3.713374     -4.910624      9.314539
  N      -5.085224     -3.957386      5.548977
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.278126703934
  N      -4.007792     -3.899813      2.939998
  C      -3.519407     -4.468197      1.682129
  C      -2.845105     -5.816828      1.903472
  N      -3.664529     -6.656954      2.783872
  C      -4.884728     -7.177634      2.160531
  C      -5.988491     -7.371148      3.196649
  N      -6.090039     -6.223387      4.099786
  Mo     -4.497866     -5.080703      4.461904
  N      -2.974681     -5.970286      5.394179
  C      -2.129345     -6.926495      4.681173
  C      -2.905501     -7.633668      3.572838
  H      -1.732135     -7.697418      5.364058
  H      -1.243451     -6.418204      4.253612
  H      -3.630275     -8.322631      4.030582
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  H      -6.930671     -7.525786      2.646539
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  H      -2.636241     -6.311018      0.934319
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  C      -6.529951      2.570508     -0.078969
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  C     -10.101592     -0.964839      3.222499
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  C      -8.045244     -1.178807      5.080837
  C       0.090104     -5.930490      6.874063
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  C      -7.080299     -4.721535      9.657434
  C      -5.726515     -4.396735      9.800200
  S      -5.178833     -2.973613     10.707258
  C      -4.733123     -5.192610      9.216175
  H      -2.288710      0.413736      2.943773
  H      -3.707767      0.051476      3.950105
  H      -3.901210      0.355300      2.211879
  H      -2.310297     -2.003839      3.417618
  H      -2.618581     -1.747246      1.694092
  H      -4.774073     -2.195269      3.822879
  H      -4.917280     -2.102513      0.785248
  H      -6.022840     -3.126331      1.711955
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  H      -5.103835     -0.513873     -0.429592
  H      -5.326053      1.632455     -1.593506
  H      -6.622006      3.514926     -0.615762
  H      -7.988473      4.574411      0.994647
  H      -7.485601      1.043850      2.824148
  H     -10.152482     -7.831949      5.815401
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  H      -9.168189     -6.667280      6.733780
  H      -8.725887     -7.465243      3.792179
  H      -7.757609     -8.030016      5.158705
  H      -7.232641     -5.625685      5.719794
  H      -9.199594     -4.954603      3.864413
  H      -7.704306     -4.675257      2.946373
  H      -7.009073     -3.498614      5.203343
  H      -9.858297     -3.078747      2.884922
  H     -10.893496     -0.878073      2.475500
  H     -10.152478      1.144029      3.711591
  H      -8.697363      2.397525      5.037690
  H      -7.232261     -1.267784      5.807145
  H       0.205229     -6.516161      5.952636
  H       0.030245     -6.638918      7.713364
  H       1.014587     -5.349600      7.008081
  H      -1.099447     -4.373431      7.750573
  H      -1.012302     -4.277114      5.997092
  H      -3.224259     -4.802510      7.054362
  H      -2.164847     -7.644560      7.444106
  H      -2.334027     -6.461761      8.730240
  H      -4.473679     -7.689032      7.110804
  H      -6.729291     -7.543232      7.757576
  H      -8.472277     -6.123738      8.809846
  H      -7.854399     -4.102634     10.110654
  H      -6.408901     -2.467897     10.954981
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102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.278807503574
  N      -4.040450     -3.882087      2.966643
  C      -3.543273     -4.430079      1.702243
  C      -2.866167     -5.779694      1.906716
  N      -3.687161     -6.633006      2.772306
  C      -4.907905     -7.140839      2.139883
  C      -6.011387     -7.355198      3.172543
  N      -6.108887     -6.232241      4.107588
  Mo     -4.520503     -5.084334      4.474140
  N      -2.987785     -5.976947      5.386258
  C      -2.149907     -6.931741      4.663405
  C      -2.932114     -7.621883      3.548883
  H      -1.757597     -7.712575      5.338132
  H      -1.260577     -6.425631      4.240242
  H      -3.660699     -8.311072      4.000188
  H      -2.253338     -8.220871      2.910311
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  H      -5.838586     -8.303999      3.717303
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  H      -2.652923     -6.260099      0.931592
  C      -3.285387     -0.095253      3.054963
  C      -3.084669     -1.583998      2.766896
  C      -4.355596     -2.442049      2.904972
  C      -5.432788     -2.188063      1.816564
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  C      -5.708024     -4.395686      9.807982
  S      -5.157633     -2.977853     10.720338
  C      -4.716143     -5.195807      9.227061
  H      -2.317617      0.426810      3.058139
  H      -3.750196      0.056169      4.041212
  H      -3.921682      0.393793      2.306519
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  H      -2.650166     -1.706513      1.760653
  H      -4.813863     -2.193445      3.873863
  H      -4.958671     -2.108727      0.829357
  H      -6.086157     -3.080274      1.786408
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  H      -5.040706     -0.519288     -0.380337
  H      -5.231898      1.596642     -1.602387
  H      -6.547737      3.504961     -0.706764
  H      -7.938655      4.614080      0.853830
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  H     -10.108215     -7.942356      5.854081
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  H      -8.724703     -7.512429      3.812051
  H      -7.725055     -8.074749      5.157001
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  H      -9.245219     -4.995027      3.948830
  H      -7.791695     -4.738918      2.960978
  H      -7.011980     -3.538607      5.206458
  H      -9.879391     -3.116123      2.910195
  H     -10.887851     -0.907146      2.475357
  H     -10.101654      1.124345      3.666937
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  H      -7.188401     -1.295288      5.765020
  H       0.197401     -6.522240      5.934871
  H       0.038382     -6.622182      7.698318
  H       1.014411     -5.341123      6.967530
  H      -1.099153     -4.365160      7.722056
  H      -1.021780     -4.278160      5.967830
  H      -3.224522     -4.805155      7.043795
  H      -2.158361     -7.645181      7.427919
  H      -2.313587     -6.460369      8.715070
  H      -4.468922     -7.688343      7.113198
  H      -6.720356     -7.532238      7.753327
  H      -8.458785     -6.105262      8.800729
  H      -7.835371     -4.090038     10.107411
  H      -6.386161     -2.467574     10.963861
  H      -3.670835     -4.913173      9.346032
  N      -5.110939     -3.986769      5.600422
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.279470342642
  N      -4.062249     -3.858657      2.989532
  C      -3.557628     -4.389132      1.719316
  C      -2.884583     -5.742957      1.905409
  N      -3.710645     -6.605057      2.756912
  C      -4.934773     -7.093363      2.116634
  C      -6.036675     -7.327174      3.146982
  N      -6.123437     -6.233766      4.118182
  Mo     -4.537369     -5.079549      4.482763
  N      -2.999194     -5.978185      5.374054
  C      -2.173029     -6.935113      4.641204
  C      -2.964382     -7.607204      3.523080
  H      -1.787640     -7.725686      5.308677
  H      -1.279046     -6.435240      4.220264
  H      -3.700691     -8.291329      3.969302
  H      -2.293069     -8.208495      2.878683
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  H      -5.267439     -6.312565      1.418492
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  H      -4.378815     -4.473993      0.981006
  H      -1.924037     -5.593724      2.418226
  H      -2.672533     -6.210111      0.923582
  C      -3.329870     -0.067202      3.143603
  C      -3.121560     -1.549896      2.831665
  C      -4.386182     -2.419250      2.937661
  C      -5.453294     -2.170841      1.836464
  N      -6.236866     -0.981087      2.045150
  C      -6.247299      0.155208      1.275031
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  C      -8.607921      0.009094      4.797580
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  N      -4.107685     -7.170866      7.902800
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  C      -5.672211     -4.383321      9.815204
  S      -5.105141     -2.988997     10.750740
  C      -4.688778     -5.196097      9.236724
  H      -2.360635      0.451330      3.181080
  H      -3.817529      0.068090      4.121175
  H      -3.945531      0.437368      2.388840
  H      -2.397410     -1.969493      3.549249
  H      -2.669538     -1.651994      1.830282
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  H      -6.119994     -3.053658      1.821129
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  H      -4.928679     -0.519883     -0.329029
  H      -5.060936      1.578597     -1.590159
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  H      -7.884538      4.628795      0.687839
  H      -7.559415      1.157350      2.664738
  H     -10.045989     -8.060898      5.896880
  H     -10.169577     -6.330220      5.536438
  H      -9.092210     -6.884731      6.830578
  H      -8.715792     -7.550931      3.844058
  H      -7.675424     -8.112369      5.158318
  H      -7.253604     -5.693870      5.776306
  H      -9.284206     -5.039788      4.040818
  H      -7.870408     -4.783838      2.997455
  H      -7.043380     -3.569107      5.252246
  H      -9.884340     -3.153239      2.925030
  H     -10.878509     -0.942783      2.459634
  H     -10.096177      1.095060      3.642681
  H      -8.640940      2.349726      4.961100
  H      -7.222595     -1.323346      5.798668
  H       0.193438     -6.547146      5.912023
  H       0.032477     -6.642325      7.675878
  H       1.019346     -5.371321      6.943105
  H      -1.085920     -4.374942      7.694398
  H      -1.015151     -4.296269      5.939566
  H      -3.214489     -4.810188      7.036832
  H      -2.167030     -7.659998      7.397236
  H      -2.297263     -6.479749      8.691798
  H      -4.482413     -7.693125      7.114324
  H      -6.724046     -7.475340      7.711198
  H      -8.442894     -6.022704      8.748059
  H      -7.796032     -4.036372     10.087404
  H      -6.326291     -2.459934     10.988407
  H      -3.639625     -4.933488      9.370280
  N      -5.117621     -3.995572      5.626709
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.280168994638
  N      -4.105175     -3.833344      3.019712
  C      -3.590196     -4.337988      1.743142
  C      -2.912931     -5.692710      1.907949
  N      -3.737472     -6.571143      2.743792
  C      -4.962126     -7.047928      2.096113
  C      -6.062022     -7.307546      3.122492
  N      -6.145652     -6.242631      4.125204
  Mo     -4.567030     -5.079837      4.496287
  N      -3.017039     -5.979947      5.365491
  C      -2.195425     -6.930274      4.618839
  C      -2.991195     -7.585004      3.493800
  H      -1.812658     -7.731441      5.275472
  H      -1.299942     -6.428587      4.203299
  H      -3.727841     -8.273612      3.932709
  H      -2.322280     -8.179003      2.839763
  H      -7.009316     -7.401741      2.565717
  H      -5.896872     -8.287962      3.609986
  H      -5.297477     -6.252982      1.415465
  H      -4.783838     -7.956889      1.487722
  H      -2.852692     -3.637262      1.315715
  H      -4.406453     -4.412216      0.998479
  H      -1.953558     -5.549051      2.424346
  H      -2.698071     -6.142735      0.918647
  C      -3.388848     -0.043807      3.257904
  C      -3.176171     -1.518387      2.912504
  C      -4.437306     -2.394794      2.990256
  C      -5.493195     -2.137387      1.880512
  N      -6.251368     -0.926517      2.061429
  C      -6.227526      0.193167      1.269493
  C      -5.455823      0.310598      0.091178
  C      -5.494142      1.492831     -0.649061
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  C      -7.013266      1.301458      1.659469
  C      -9.444065     -7.213846      5.879988
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  C      -8.249130     -4.896879      4.087017
  N      -7.973997     -3.651193      4.772629
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  C      -8.581545     -0.022764      4.727714
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  C      -8.017565     -1.266907      5.018552
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  C      -1.111045     -5.007615      6.753981
  C      -2.530178     -5.614875      6.707489
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  N      -4.094900     -7.178684      7.908538
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  H      -2.419040      0.471424      3.322563
  H      -3.890016      0.068100      4.231468
  H      -3.992572      0.480020      2.506957
  H      -2.456288     -1.952494      3.625797
  H      -2.714584     -1.595954      1.913160
  H      -4.926019     -2.183380      3.953952
  H      -5.009515     -2.111133      0.896064
  H      -6.178806     -3.005219      1.876387
  H      -6.813003     -0.877660      2.909731
  H      -4.825708     -0.509736     -0.249890
  H      -4.890669      1.563474     -1.556458
  H      -6.284832      3.498303     -0.861476
  H      -7.802688      4.664441      0.522644
  H      -7.608674      1.221936      2.570442
  H      -9.999118     -8.159754      5.953665
  H     -10.166007     -6.429669      5.608563
  H      -9.054409     -6.970485      6.878901
  H      -8.718220     -7.608783      3.882169
  H      -7.642526     -8.155351      5.173526
  H      -7.268489     -5.728418      5.797279
  H      -9.334192     -5.094726      4.123694
  H      -7.966978     -4.858552      3.015447
  H      -7.064059     -3.610532      5.247079
  H      -9.914907     -3.206613      2.930262
  H     -10.882298     -0.991314      2.426021
  H     -10.067368      1.058407      3.564313
  H      -8.605248      2.319408      4.864249
  H      -7.204891     -1.353539      5.744040
  H       0.175480     -6.564358      5.866293
  H       0.039727     -6.653523      7.632673
  H       1.020794     -5.388525      6.882140
  H      -1.072553     -4.385736      7.664049
  H      -1.024174     -4.306685      5.908161
  H      -3.209885     -4.818396      7.036583
  H      -2.162681     -7.671613      7.375234
  H      -2.271519     -6.493004      8.673831
  H      -4.481928     -7.707834      7.129948
  H      -6.715088     -7.466712      7.742932
  H      -8.414628     -5.999750      8.792180
  H      -7.743025     -4.015537     10.120605
  H      -6.256370     -2.450122     11.004900
  H      -3.598828     -4.943296      9.366738
  N      -5.146840     -4.015170      5.658689
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.280868559587
  N      -4.156171     -3.803355      3.042835
  C      -3.632655     -4.285146      1.761636
  C      -2.950542     -5.640174      1.907677
  N      -3.770097     -6.532795      2.732764
  C      -4.997550     -7.000496      2.083281
  C      -6.092944     -7.283332      3.108110
  N      -6.169228     -6.245363      4.137815
  Mo     -4.598634     -5.071741      4.508763
  N      -3.033374     -5.969474      5.354839
  C      -2.217335     -6.914360      4.594297
  C      -3.019543     -7.555915      3.465712
  H      -1.835754     -7.724215      5.241131
  H      -1.321954     -6.411093      4.181047
  H      -3.752977     -8.250522      3.900791
  H      -2.353427     -8.141430      2.800849
  H      -7.042651     -7.359566      2.551480
  H      -5.930784     -8.276897      3.569197
  H      -5.337982     -6.193930      1.418851
  H      -4.820043     -7.897147      1.456741
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  H      -1.990538     -5.500721      2.423904
  H      -2.735991     -6.075381      0.911608
  C      -3.463564     -0.019108      3.366073
  C      -3.242124     -1.482555      2.980666
  C      -4.499227     -2.366883      3.033945
  C      -5.542508     -2.099083      1.916740
  N      -6.277897     -0.868250      2.064416
  C      -6.205090      0.236925      1.255929
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  C      -6.144532      2.597437     -0.327747
  C      -6.988049      2.505743      0.791245
  S      -8.059937      3.829055      1.292589
  C      -7.018579      1.350025      1.567601
  C      -9.422727     -7.285228      5.936169
  C      -8.296821     -7.383536      4.909032
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  C      -8.300491     -4.949628      4.127125
  N      -7.993522     -3.690455      4.771626
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  C      -9.598431      0.052909      3.733943
  C      -8.547845     -0.054851      4.662593
  S      -7.846688      1.364158      5.462844
  C      -8.003035     -1.301700      4.975307
  C       0.091153     -5.963191      6.731781
  C      -1.108766     -5.010678      6.724493
  C      -2.528971     -5.617168      6.695014
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  N      -4.075069     -7.190376      7.906147
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  C      -6.943432     -4.684464      9.723769
  C      -5.579313     -4.401995      9.857793
  S      -4.983712     -3.007990     10.776715
  C      -4.615633     -5.220251      9.254616
  H      -2.496106      0.496692      3.456565
  H      -3.976088      0.061276      4.336630
  H      -4.061745      0.523978      2.624484
  H      -2.521464     -1.931339      3.684058
  H      -2.776548     -1.531205      1.981564
  H      -4.997472     -2.172869      3.995776
  H      -5.051470     -2.098312      0.936263
  H      -6.245810     -2.951611      1.921363
  H      -6.890320     -0.809728      2.875746
  H      -4.692552     -0.487251     -0.142071
  H      -4.671920      1.556546     -1.495504
  H      -6.117119      3.499733     -0.938831
  H      -7.723446      4.686304      0.302112
  H      -7.679838      1.284333      2.433137
  H      -9.961831     -8.239863      6.016062
  H     -10.158216     -6.512074      5.670970
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  H      -8.716588     -7.667300      3.930510
  H      -7.611821     -8.193633      5.205045
  H      -7.278477     -5.757330      5.823449
  H      -9.382971     -5.148344      4.215127
  H      -8.065515     -4.931992      3.043608
  H      -7.087107     -3.652653      5.250355
  H      -9.939950     -3.254362      2.933562
  H     -10.872551     -1.031797      2.387398
  H     -10.024076      1.025295      3.484757
  H      -8.538941      2.289566      4.758530
  H      -7.188403     -1.386701      5.699494
  H       0.166076     -6.565947      5.817389
  H       0.055374     -6.655278      7.585441
  H       1.025028     -5.389292      6.821418
  H      -1.057440     -4.391091      7.635561
  H      -1.032896     -4.307110      5.879301
  H      -3.203765     -4.823643      7.040712
  H      -2.147228     -7.677280      7.348292
  H      -2.245496     -6.504997      8.653910
  H      -4.469630     -7.730125      7.139426
  H      -6.694562     -7.489299      7.785110
  H      -8.383369     -6.028528      8.865187
  H      -7.695592     -4.046603     10.188566
  H      -6.198271     -2.480948     11.052220
  H      -3.561674     -4.961533      9.357095
  N      -5.179926     -4.027947      5.690004
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.281337716381
  N      -4.193692     -3.776725      3.063188
  C      -3.666373     -4.241387      1.777568
  C      -2.983556     -5.598064      1.906580
  N      -3.800472     -6.500284      2.723118
  C      -5.032164     -6.956341      2.073678
  C      -6.122458     -7.255657      3.099126
  N      -6.186602     -6.241670      4.152598
  Mo     -4.619386     -5.062010      4.520731
  N      -3.042367     -5.961324      5.342780
  C      -2.236543     -6.905300      4.569781
  C      -3.048632     -7.533485      3.440233
  H      -1.857290     -7.722886      5.208171
  H      -1.340291     -6.404242      4.156109
  H      -3.781224     -8.230103      3.873448
  H      -2.388781     -8.114297      2.765194
  H      -7.076224     -7.312710      2.546214
  H      -5.965021     -8.260971      3.535679
  H      -5.375017     -6.138605      1.424324
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  H      -2.021907     -5.464995      2.421432
  H      -2.771988     -6.021090      0.904648
  C      -3.502616     -0.002375      3.457806
  C      -3.284249     -1.454876      3.029661
  C      -4.541439     -2.341318      3.071018
  C      -5.582655     -2.065121      1.955771
  N      -6.289932     -0.815237      2.077793
  C      -6.180069      0.273566      1.251429
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  C      -5.213630      1.501825     -0.612212
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  C      -9.398363     -7.350890      5.983664
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  C      -8.342519     -4.990472      4.164768
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  S      -4.933529     -3.026416     10.803358
  C      -4.584305     -5.229268      9.262871
  H      -2.534408      0.508196      3.566400
  H      -4.018191      0.048401      4.428764
  H      -4.098181      0.563853      2.731986
  H      -2.558243     -1.921791      3.715574
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  H      -5.097369     -2.096734      0.972682
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  H      -4.586596     -0.470814     -0.041581
  H      -4.499382      1.542445     -1.437720
  H      -5.977104      3.492435     -0.999307
  H      -7.635519      4.704013      0.131619
  H      -7.723885      1.336805      2.321104
  H      -9.918556     -8.315789      6.065646
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  H      -8.999903     -7.095102      6.975053
  H      -8.703881     -7.714579      3.970920
  H      -7.573975     -8.219394      5.231863
  H      -7.284761     -5.775198      5.850658
  H      -9.419873     -5.194246      4.293230
  H      -8.145422     -4.990929      3.073215
  H      -7.121683     -3.677834      5.267664
  H      -9.950200     -3.302502      2.915341
  H     -10.863983     -1.082271      2.324512
  H     -10.017995      0.985630      3.401926
  H      -8.539031      2.261847      4.676555
  H      -7.217337     -1.406716      5.681128
  H       0.161930     -6.578110      5.776434
  H       0.068702     -6.666005      7.545600
  H       1.034193     -5.402956      6.771037
  H      -1.036362     -4.399759      7.606508
  H      -1.028898     -4.314470      5.850384
  H      -3.190869     -4.826059      7.037622
  H      -2.140549     -7.684319      7.316874
  H      -2.220748     -6.518416      8.629691
  H      -4.464490     -7.738144      7.142760
  H      -6.678933     -7.491923      7.808260
  H      -8.356411     -6.037059      8.915230
  H      -7.652782     -4.062021     10.242244
  H      -6.144916     -2.503318     11.100579
  H      -3.529571     -4.970720      9.354362
  N      -5.195412     -4.036800      5.721123
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.281614827829
  N      -4.210190     -3.766439      3.060763
  C      -3.681948     -4.230397      1.775407
  C      -3.002234     -5.588914      1.902053
  N      -3.819536     -6.490176      2.718609
  C      -5.054535     -6.940738      2.072331
  C      -6.142343     -7.239555      3.100481
  N      -6.195075     -6.233174      4.161760
  Mo     -4.627185     -5.051566      4.521718
  N      -3.043758     -5.950350      5.332604
  C      -2.248342     -6.901272      4.556851
  C      -3.068710     -7.526723      3.431486
  H      -1.872543     -7.720425      5.195043
  H      -1.350330     -6.407029      4.138986
  H      -3.801654     -8.220666      3.868361
  H      -2.414446     -8.109753      2.753116
  H      -7.099589     -7.285032      2.551817
  H      -5.991347     -8.249752      3.528060
  H      -5.396856     -6.120605      1.425779
  H      -4.886230     -7.825944      1.427092
  H      -2.941176     -3.516769      1.375264
  H      -4.490664     -4.284078      1.021433
  H      -2.039083     -5.459165      2.415025
  H      -2.793840     -6.010883      0.899033
  C      -3.509966     -0.001561      3.489128
  C      -3.296299     -1.445005      3.028144
  C      -4.555515     -2.330657      3.073211
  C      -5.601238     -2.047136      1.965690
  N      -6.285840     -0.784565      2.078614
  C      -6.148272      0.299906      1.249659
  C      -5.194183      0.371664      0.208171
  C      -5.110838      1.516042     -0.583269
  C      -5.940045      2.618914     -0.379798
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  C      -9.385762     -7.376571      6.011114
  C      -8.264682     -7.438185      4.973696
  C      -7.503097     -6.108036      4.841202
  C      -8.366481     -5.009133      4.183593
  N      -8.040876     -3.724267      4.764143
  C      -8.563337     -2.531406      4.342205
  C      -9.585640     -2.444910      3.370364
  C     -10.113663     -1.199645      3.030430
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  C      -8.632828     -0.098628      4.579133
  S      -7.966392      1.340815      5.373668
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  C       0.106005     -5.977955      6.664988
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  C      -2.514948     -5.615175      6.666258
  C      -2.671005     -6.793833      7.651214
  N      -4.047779     -7.184721      7.890834
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  C      -5.506290     -4.430986      9.919554
  S      -4.890185     -3.053680     10.852276
  C      -4.556545     -5.236765      9.280412
  H      -2.541841      0.507978      3.601733
  H      -4.019381      0.025733      4.464300
  H      -4.112466      0.579447      2.780576
  H      -2.559542     -1.924703      3.693431
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  H      -5.049235     -2.150186      4.039174
  H      -5.128691     -2.101892      0.976624
  H      -6.343562     -2.864347      2.010872
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  H      -4.365851      1.551591     -1.381159
  H      -5.854715      3.506948     -1.006252
  H      -7.528661      4.735900      0.066214
  H      -7.736209      1.367886      2.250123
  H      -9.892531     -8.348022      6.097735
  H     -10.146488     -6.628573      5.745832
  H      -8.992928     -7.109433      7.001857
  H      -8.684903     -7.741133      4.000779
  H      -7.545781     -8.220939      5.262801
  H      -7.284886     -5.770068      5.865770
  H      -9.438679     -5.218829      4.339542
  H      -8.194627     -5.026235      3.087573
  H      -7.148582     -3.674992      5.267713
  H      -9.962601     -3.347289      2.889994
  H     -10.903276     -1.144326      2.278223
  H     -10.100525      0.941301      3.354007
  H      -8.658989      2.246898      4.646449
  H      -7.280659     -1.394836      5.666278
  H       0.163658     -6.582372      5.750376
  H       0.080197     -6.669046      7.520036
  H       1.043701     -5.408224      6.739338
  H      -1.018411     -4.399914      7.585165
  H      -1.020167     -4.315624      5.829193
  H      -3.178271     -4.821061      7.032698
  H      -2.135416     -7.683134      7.289530
  H      -2.199851     -6.524695      8.609895
  H      -4.459371     -7.732700      7.140804
  H      -6.664415     -7.484099      7.821175
  H      -8.332530     -6.042047      8.959012
  H      -7.615287     -4.081670     10.303872
  H      -6.098546     -2.541445     11.179529
  H      -3.501192     -4.980013      9.367568
  N      -5.199822     -4.033670      5.730349
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.281767150465
  N      -4.237180     -3.753541      3.072621
  C      -3.710715     -4.208432      1.783223
  C      -3.030796     -5.567743      1.898468
  N      -3.847159     -6.473339      2.711650
  C      -5.084766     -6.916307      2.066389
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  N      -6.208288     -6.229022      4.173281
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  N      -3.050027     -5.945430      5.323064
  C      -2.265087     -6.896938      4.537460
  C      -3.095894     -7.515125      3.415932
  H      -1.887177     -7.719671      5.169675
  H      -1.368036     -6.405064      4.114609
  H      -3.829204     -8.206833      3.855442
  H      -2.449177     -8.098976      2.731288
  H      -7.129980     -7.253600      2.555835
  H      -6.021046     -8.238131      3.510503
  H      -5.427871     -6.089925      1.428398
  H      -4.920941     -7.796394      1.413012
  H      -2.971693     -3.490454      1.387603
  H      -4.520293     -4.258290      1.029989
  H      -2.065679     -5.442693      2.408840
  H      -2.826472     -5.983081      0.891857
  C      -3.543670     -0.000304      3.586201
  C      -3.327819     -1.427647      3.077822
  C      -4.584876     -2.319206      3.097032
  C      -5.619324     -2.033406      1.979698
  N      -6.290390     -0.763247      2.074196
  C      -6.127516      0.316819      1.244736
  C      -5.134467      0.387634      0.241195
  C      -5.025495      1.529520     -0.551268
  C      -5.866364      2.629795     -0.383601
  C      -6.848645      2.566288      0.618190
  S      -7.975973      3.902567      0.929680
  C      -6.980956      1.430465      1.413748
  C      -9.369812     -7.403328      6.056224
  C      -8.253118     -7.452038      5.013185
  C      -7.510695     -6.112304      4.863949
  C      -8.389168     -5.028925      4.201971
  N      -8.052062     -3.731781      4.748916
  C      -8.577617     -2.546754      4.309912
  C      -9.593101     -2.477403      3.329541
  C     -10.119147     -1.239102      2.963103
  C      -9.674816     -0.048867      3.539203
  C      -8.655443     -0.110574      4.506373
  S      -8.000984      1.340784      5.287663
  C      -8.105459     -1.338243      4.878164
  C       0.110362     -5.978881      6.640171
  C      -1.084900     -5.020106      6.655674
  C      -2.510435     -5.618303      6.653505
  C      -2.657922     -6.804514      7.629892
  N      -4.032210     -7.194499      7.884810
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  C      -6.315964     -6.614036      8.414079
  C      -7.235397     -5.800721      9.064078
  C      -6.826271     -4.708999      9.835170
  C      -5.455648     -4.448274      9.948758
  S      -4.822133     -3.090838     10.898441
  C      -4.515576     -5.257922      9.300275
  H      -2.576605      0.505307      3.722197
  H      -4.058945     -0.006317      4.558827
  H      -4.141356      0.604465      2.894228
  H      -2.589081     -1.926389      3.726615
  H      -2.889250     -1.399544      2.066040
  H      -5.090491     -2.151287      4.059419
  H      -5.143732     -2.108875      0.992733
  H      -6.374725     -2.838627      2.031495
  H      -6.990983     -0.682580      2.807856
  H      -4.435516     -0.434041      0.089401
  H      -4.250279      1.565340     -1.319827
  H      -5.759880      3.515857     -1.009604
  H      -7.484651      4.738892     -0.012738
  H      -7.756620      1.382431      2.180304
  H      -9.858691     -8.383268      6.150851
  H     -10.146124     -6.671480      5.791185
  H      -8.976420     -7.124491      7.043724
  H      -8.671962     -7.772642      4.045256
  H      -7.518131     -8.218764      5.306268
  H      -7.288925     -5.763000      5.884362
  H      -9.457426     -5.236951      4.385021
  H      -8.241194     -5.070212      3.103259
  H      -7.164730     -3.678048      5.260795
  H      -9.964784     -3.388187      2.861187
  H     -10.901519     -1.198729      2.202348
  H     -10.108347      0.907602      3.246486
  H      -8.703160      2.234999      4.554346
  H      -7.312575     -1.385136      5.628866
  H       0.167223     -6.579545      5.723069
  H       0.086749     -6.673656      7.492308
  H       1.048110     -5.409148      6.715347
  H      -1.011083     -4.400691      7.565097
  H      -1.020833     -4.317211      5.809228
  H      -3.171626     -4.827251      7.030821
  H      -2.130664     -7.692472      7.252763
  H      -2.172466     -6.547364      8.585291
  H      -4.455646     -7.736991      7.136491
  H      -6.653835     -7.463196      7.815658
  H      -8.302199     -6.013730      8.969525
  H      -7.559247     -4.075478     10.334618
  H      -6.023543     -2.574780     11.242756
  H      -3.456718     -5.016650      9.393796
  N      -5.208316     -4.038877      5.749880
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.281909395638
  N      -4.255780     -3.750191      3.058620
  C      -3.730029     -4.207746      1.770397
  C      -3.047489     -5.565238      1.889950
  N      -3.860052     -6.470095      2.707640
  C      -5.098352     -6.917623      2.067167
  C      -6.178067     -7.218937      3.103424
  N      -6.211945     -6.226079      4.179736
  Mo     -4.646293     -5.037106      4.524432
  N      -3.047727     -5.931984      5.310671
  C      -2.267802     -6.888861      4.526113
  C      -3.103853     -7.509848      3.409648
  H      -1.890609     -7.710412      5.160081
  H      -1.370265     -6.401411      4.099064
  H      -3.833551     -8.202100      3.854279
  H      -2.459941     -8.093623      2.722227
  H      -7.143342     -7.247756      2.567535
  H      -6.032976     -8.235963      3.516220
  H      -5.444589     -6.095859      1.424964
  H      -4.934975     -7.801224      1.418504
  H      -2.991701     -3.490163      1.373159
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  H      -2.082124     -5.435605      2.398584
  H      -2.843273     -5.983807      0.884578
  C      -3.525741     -0.015677      3.602230
  C      -3.333793     -1.426513      3.040968
  C      -4.595047     -2.314085      3.087648
  C      -5.650231     -2.017023      1.992185
  N      -6.294804     -0.733634      2.093758
  C      -6.110117      0.342923      1.263857
  C      -5.097137      0.397437      0.280182
  C      -4.960324      1.533006     -0.517285
  C      -5.792819      2.642552     -0.371768
  C      -6.794441      2.596456      0.612151
  S      -7.914721      3.947202      0.887572
  C      -6.954263      1.466797      1.411607
  C      -9.353364     -7.428429      6.079852
  C      -8.235871     -7.467234      5.036632
  C      -7.509194     -6.119582      4.880102
  C      -8.401567     -5.046653      4.223574
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  C     -10.145705     -1.284505      2.946771
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  C      -2.506941     -5.599326      6.638309
  C      -2.656997     -6.779073      7.621699
  N      -4.032987     -7.170562      7.868381
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  C      -7.237936     -5.808241      9.078902
  C      -6.830320     -4.723060      9.860232
  C      -5.460789     -4.454721      9.967993
  S      -4.830342     -3.103086     10.928725
  C      -4.519581     -5.250446      9.304382
  H      -2.554304      0.487342      3.714766
  H      -4.000709     -0.054503      4.594417
  H      -4.152318      0.609952      2.955662
  H      -2.568678     -1.944749      3.642081
  H      -2.941292     -1.369222      2.011761
  H      -5.077940     -2.142473      4.060843
  H      -5.199977     -2.108126      0.994135
  H      -6.420276     -2.806205      2.068134
  H      -7.009682     -0.647272      2.812620
  H      -4.403545     -0.432479      0.149533
  H      -4.170221      1.556182     -1.270948
  H      -5.665741      3.523210     -1.001545
  H      -7.380117      4.776079     -0.037643
  H      -7.741977      1.435869      2.166065
  H      -9.822169     -8.416721      6.186197
  H     -10.144577     -6.716097      5.805499
  H      -8.964854     -7.129314      7.063835
  H      -8.649356     -7.799606      4.070326
  H      -7.490031     -8.221979      5.334159
  H      -7.282737     -5.766617      5.898365
  H      -9.464862     -5.251067      4.436353
  H      -8.280637     -5.103755      3.122444
  H      -7.167747     -3.685848      5.261983
  H      -9.974756     -3.431796      2.865330
  H     -10.928564     -1.258043      2.185947
  H     -10.150437      0.865329      3.206854
  H      -8.763871      2.215832      4.509958
  H      -7.336377     -1.380301      5.612437
  H       0.157138     -6.579153      5.705437
  H       0.094905     -6.657301      7.475987
  H       1.052151     -5.402525      6.677976
  H      -1.000078     -4.385343      7.544178
  H      -1.014688     -4.305656      5.788096
  H      -3.164946     -4.803526      7.011423
  H      -2.125743     -7.668214      7.253101
  H      -2.177951     -6.515142      8.577869
  H      -4.451102     -7.708409      7.114521
  H      -6.652555     -7.452823      7.807851
  H      -8.303751     -6.027745      8.988240
  H      -7.563706     -4.099664     10.371810
  H      -6.032502     -2.611617     11.304705
  H      -3.461563     -5.005318      9.395523
  N      -5.214545     -4.033911      5.747248
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282003602169
  N      -4.254630     -3.750332      3.068222
  C      -3.729887     -4.204470      1.779027
  C      -3.046973     -5.561954      1.895384
  N      -3.859315     -6.469341      2.710742
  C      -5.096153     -6.919029      2.070213
  C      -6.175928     -7.218413      3.107091
  N      -6.211379     -6.222270      4.180706
  Mo     -4.643870     -5.038701      4.532747
  N      -3.043701     -5.938365      5.316106
  C      -2.264450     -6.890748      4.525199
  C      -3.101899     -7.509836      3.409713
  H      -1.883007     -7.714161      5.154249
  H      -1.369287     -6.400119      4.096725
  H      -3.830335     -8.203604      3.854223
  H      -2.457786     -8.091834      2.720619
  H      -7.141137     -7.248441      2.571649
  H      -6.030981     -8.233770      3.523814
  H      -5.443608     -6.100757      1.424218
  H      -4.931195     -7.804931      1.425156
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  H      -2.082017     -5.432711      2.404833
  H      -2.841893     -5.978245      0.889224
  C      -3.525675     -0.024562      3.622626
  C      -3.334794     -1.426058      3.038451
  C      -4.594726     -2.315101      3.095786
  C      -5.651785     -2.019186      2.000547
  N      -6.299741     -0.736017      2.099607
  C      -6.102583      0.343206      1.275507
  C      -5.085094      0.391505      0.295927
  C      -4.937494      1.526965     -0.499867
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  C      -9.377098     -7.388356      6.064337
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  C      -8.402081     -5.038983      4.195435
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  C      -9.638094     -2.524507      3.287981
  C     -10.190433     -1.303390      2.905026
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  C      -8.772521     -0.126893      4.453807
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  C      -2.498609     -5.614495      6.644520
  C      -2.642525     -6.801185      7.621229
  N      -4.018087     -7.190732      7.880091
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  C      -7.203008     -5.790701      9.101582
  C      -6.779910     -4.712805      9.883814
  C      -5.406873     -4.461895      9.988623
  S      -4.758300     -3.118537     10.948464
  C      -4.477198     -5.268160      9.320772
  H      -2.557173      0.487283      3.719579
  H      -3.977061     -0.081804      4.624889
  H      -4.173915      0.603005      2.999458
  H      -2.556810     -1.948624      3.618753
  H      -2.961957     -1.353337      2.002805
  H      -5.073574     -2.139395      4.069886
  H      -5.201385     -2.108004      1.002623
  H      -6.419287     -2.809965      2.075542
  H      -7.025159     -0.651295      2.807739
  H      -4.397726     -0.443443      0.167962
  H      -4.143769      1.546398     -1.249746
  H      -5.629194      3.521444     -0.985963
  H      -7.353093      4.775877     -0.043815
  H      -7.729126      1.447789      2.175140
  H      -9.848979     -8.373883      6.182765
  H     -10.163884     -6.680060      5.767105
  H      -9.000554     -7.071595      7.047341
  H      -8.647344     -7.796707      4.071114
  H      -7.506503     -8.199820      5.357771
  H      -7.296121     -5.743479      5.885750
  H      -9.467675     -5.249006      4.392725
  H      -8.263413     -5.099180      3.097036
  H      -7.194228     -3.665068      5.244118
  H      -9.984173     -3.446602      2.822201
  H     -10.965678     -1.289342      2.136091
  H     -10.230491      0.846478      3.164354
  H      -8.883648      2.216172      4.484530
  H      -7.408604     -1.354902      5.599919
  H       0.165517     -6.579647      5.692307
  H       0.107334     -6.676710      7.461909
  H       1.060107     -5.411658      6.675302
  H      -0.990742     -4.404938      7.554054
  H      -1.010922     -4.312332      5.798239
  H      -3.155362     -4.821467      7.025885
  H      -2.119549     -7.690159      7.240418
  H      -2.151459     -6.547759      8.574212
  H      -4.441717     -7.713964      7.118162
  H      -6.640996     -7.438287      7.823488
  H      -8.271745     -5.996807      9.013742
  H      -7.504345     -4.080951     10.397960
  H      -5.954062     -2.622106     11.337909
  H      -3.415228     -5.039148      9.411236
  N      -5.218127     -4.041723      5.758030
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282085329447
  N      -4.245876     -3.742689      3.061257
  C      -3.720995     -4.202446      1.774522
  C      -3.041030     -5.560841      1.897670
  N      -3.857111     -6.463241      2.716333
  C      -5.095041     -6.910263      2.075153
  C      -6.178536     -7.202156      3.110729
  N      -6.209973     -6.203498      4.182188
  Mo     -4.637395     -5.024696      4.530385
  N      -3.042789     -5.929111      5.318789
  C      -2.263750     -6.884824      4.533018
  C      -3.101931     -7.504576      3.417765
  H      -1.884842     -7.706925      5.165770
  H      -1.366483     -6.398317      4.104144
  H      -3.832548     -8.195773      3.863164
  H      -2.459452     -8.089223      2.729349
  H      -7.143354     -7.228387      2.574649
  H      -6.037697     -8.216799      3.530851
  H      -5.437612     -6.091015      1.427687
  H      -4.932580     -7.797841      1.432092
  H      -2.981888     -3.485212      1.376287
  H      -4.530788     -4.255008      1.021512
  H      -2.077009     -5.431124      2.408676
  H      -2.834450     -5.982065      0.893877
  C      -3.517447     -0.023227      3.617559
  C      -3.333309     -1.414012      3.007692
  C      -4.588632     -2.308387      3.079150
  C      -5.652350     -2.023765      1.988410
  N      -6.290065     -0.734161      2.081304
  C      -6.088101      0.342568      1.255130
  C      -5.084791      0.381451      0.260021
  C      -4.941080      1.515351     -0.539078
  C      -5.757589      2.635560     -0.386027
  C      -6.748088      2.604075      0.609571
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  C      -6.912070      1.479099      1.414325
  C      -9.356238     -7.357497      6.105463
  C      -8.239282     -7.422311      5.064675
  C      -7.510434     -6.081190      4.876502
  C      -8.402503     -5.019922      4.199317
  N      -8.055730     -3.704635      4.691209
  C      -8.629674     -2.541717      4.259089
  C      -9.663041     -2.515053      3.293916
  C     -10.225514     -1.297452      2.912873
  C      -9.804825     -0.085595      3.462579
  C      -8.776410     -0.105700      4.421146
  S      -8.152277      1.376314      5.171520
  C      -8.189514     -1.312307      4.808224
  C       0.117325     -5.958161      6.604424
  C      -1.079835     -5.003768      6.649823
  C      -2.503344     -5.606972      6.652630
  C      -2.636467     -6.797763      7.625659
  N      -4.007592     -7.209956      7.871374
  C      -4.911934     -6.391619      8.534411
  C      -6.291507     -6.671331      8.444398
  C      -7.211859     -5.889275      9.131843
  C      -6.805305     -4.811392      9.922209
  C      -5.436950     -4.531980     10.016383
  S      -4.803595     -3.185488     10.981780
  C      -4.496371     -5.311730      9.330873
  H      -2.551469      0.498753      3.683510
  H      -3.926198     -0.098398      4.636796
  H      -4.197876      0.605852      3.030072
  H      -2.540237     -1.942353      3.561565
  H      -2.984423     -1.322320      1.965492
  H      -5.065768     -2.127316      4.053109
  H      -5.208095     -2.126628      0.989187
  H      -6.422569     -2.809347      2.078010
  H      -7.018884     -0.644491      2.784811
  H      -4.407785     -0.459646      0.122640
  H      -4.159699      1.528006     -1.301851
  H      -5.625959      3.513710     -1.018549
  H      -7.327814      4.785936     -0.041983
  H      -7.684321      1.464836      2.186324
  H      -9.815251     -8.346190      6.246076
  H     -10.154936     -6.662270      5.809660
  H      -8.969995     -7.022005      7.077560
  H      -8.650675     -7.779555      4.107380
  H      -7.493461     -8.168510      5.382471
  H      -7.282836     -5.708351      5.886805
  H      -9.466667     -5.221071      4.415348
  H      -8.279336     -5.096247      3.100014
  H      -7.181135     -3.634051      5.218519
  H     -10.017983     -3.441619      2.844126
  H     -11.017344     -1.291210      2.160975
  H     -10.259724      0.855426      3.152733
  H      -8.907259      2.238030      4.451752
  H      -7.389079     -1.323027      5.552433
  H       0.154965     -6.554069      5.683177
  H       0.114890     -6.657822      7.452628
  H       1.054523     -5.385561      6.661040
  H      -0.997483     -4.397002      7.567025
  H      -1.026781     -4.289501      5.811673
  H      -3.164538     -4.819280      7.036528
  H      -2.092134     -7.676225      7.250104
  H      -2.161164     -6.537043      8.583822
  H      -4.422281     -7.725490      7.099472
  H      -6.625281     -7.511390      7.831347
  H      -8.276976     -6.116278      9.050719
  H      -7.538593     -4.200384     10.449216
  H      -6.002549     -2.720830     11.401904
  H      -3.438946     -5.059615      9.409774
  N      -5.208726     -4.020267      5.750220
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282163213624
  N      -4.244897     -3.737170      3.050658
  C      -3.715410     -4.196461      1.765089
  C      -3.036504     -5.555120      1.889823
  N      -3.856376     -6.457391      2.705142
  C      -5.092804     -6.903812      2.060260
  C      -6.178461     -7.196355      3.093956
  N      -6.209722     -6.199578      4.166821
  Mo     -4.639275     -5.019294      4.518114
  N      -3.048468     -5.926451      5.310221
  C      -2.268103     -6.882321      4.526074
  C      -3.105002     -7.500125      3.408752
  H      -1.891472     -7.705110      5.159049
  H      -1.369226     -6.396819      4.099686
  H      -3.838975     -8.188388      3.852969
  H      -2.463113     -8.087516      2.722298
  H      -7.142920     -7.220576      2.557023
  H      -6.038949     -8.211562      3.513129
  H      -5.433466     -6.084214      1.412223
  H      -4.928978     -7.791367      1.417596
  H      -2.975500     -3.478603      1.369554
  H      -4.523079     -4.248754      1.009872
  H      -2.074762     -5.425808      2.405233
  H      -2.826129     -5.976541      0.887026
  C      -3.527622     -0.026032      3.626185
  C      -3.348121     -1.400282      2.978487
  C      -4.595510     -2.304600      3.063045
  C      -5.665984     -2.032428      1.975374
  N      -6.306201     -0.743327      2.061218
  C      -6.096905      0.333623      1.236390
  C      -5.084960      0.373444      0.249789
  C      -4.933912      1.508430     -0.546341
  C      -5.751316      2.628668     -0.399025
  C      -6.749923      2.596649      0.588260
  S      -7.847903      3.961567      0.877236
  C      -6.921457      1.470455      1.390013
  C      -9.351317     -7.359536      6.089049
  C      -8.236396     -7.420987      5.046802
  C      -7.507881     -6.079274      4.864128
  C      -8.397963     -5.015659      4.191050
  N      -8.036888     -3.700197      4.671640
  C      -8.612488     -2.536895      4.245787
  C      -9.643678     -2.508770      3.278483
  C     -10.204736     -1.290855      2.897467
  C      -9.785561     -0.079722      3.450015
  C      -8.762022     -0.101987      4.413459
  S      -8.143632      1.377998      5.171981
  C      -8.175983     -1.308883      4.800709
  C       0.107347     -5.946651      6.621880
  C      -1.093174     -4.995247      6.652512
  C      -2.515484     -5.602043      6.645737
  C      -2.654675     -6.793501      7.616720
  N      -4.028632     -7.195818      7.866379
  C      -4.918720     -6.388450      8.562246
  C      -6.301965     -6.654703      8.479227
  C      -7.208064     -5.884186      9.197401
  C      -6.783900     -4.833446     10.014407
  C      -5.412586     -4.569082     10.103912
  S      -4.758358     -3.256810     11.100905
  C      -4.485259     -5.336321      9.387297
  H      -2.568364      0.510705      3.661335
  H      -3.888985     -0.128787      4.660881
  H      -4.243217      0.603555      3.083127
  H      -2.535885     -1.934441      3.497934
  H      -3.027803     -1.280594      1.930146
  H      -5.070267     -2.122022      4.037831
  H      -5.225981     -2.142451      0.975060
  H      -6.434259     -2.817812      2.075179
  H      -7.052168     -0.660734      2.747842
  H      -4.408003     -0.468402      0.117744
  H      -4.145106      1.522417     -1.302019
  H      -5.613657      3.507716     -1.028957
  H      -7.328591      4.778220     -0.067465
  H      -7.698019      1.456834      2.157090
  H      -9.804760     -8.350959      6.231439
  H     -10.154946     -6.669654      5.795537
  H      -8.963253     -7.021735      7.060036
  H      -8.647182     -7.776218      4.087993
  H      -7.489802     -8.167481      5.363275
  H      -7.278246     -5.711528      5.876187
  H      -9.461574     -5.208923      4.417078
  H      -8.285604     -5.098558      3.090920
  H      -7.169903     -3.633484      5.211517
  H      -9.997024     -3.434403      2.825983
  H     -10.995290     -1.284374      2.144100
  H     -10.238859      0.861878      3.140005
  H      -8.921257      2.238929      4.475449
  H      -7.380188     -1.320773      5.549800
  H       0.155555     -6.545192      5.703119
  H       0.098368     -6.643306      7.472626
  H       1.042838     -5.371633      6.685806
  H      -1.021162     -4.385136      7.568281
  H      -1.035281     -4.283558      5.812622
  H      -3.180974     -4.815455      7.025637
  H      -2.117091     -7.676128      7.239993
  H      -2.175243     -6.536522      8.573796
  H      -4.457114     -7.690453      7.087950
  H      -6.650236     -7.472981      7.845171
  H      -8.275946     -6.099016      9.120819
  H      -7.506418     -4.231192     10.565287
  H      -5.948322     -2.802698     11.555263
  H      -3.425084     -5.096658      9.464398
  N      -5.214478     -4.016559      5.737208
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282231934216
  N      -4.236771     -3.736486      3.056559
  C      -3.710971     -4.197935      1.769447
  C      -3.033364     -5.557004      1.892428
  N      -3.851479     -6.458575      2.709344
  C      -5.088677     -6.905833      2.066353
  C      -6.173283     -7.197459      3.101086
  N      -6.205888     -6.198047      4.170987
  Mo     -4.635130     -5.018719      4.523032
  N      -3.046482     -5.927657      5.316350
  C      -2.263823     -6.880551      4.530936
  C      -3.099226     -7.499958      3.413554
  H      -1.884386     -7.702698      5.162779
  H      -1.366797     -6.391965      4.104103
  H      -3.832545     -8.188958      3.857391
  H      -2.456074     -8.086547      2.727745
  H      -7.137650     -7.225120      2.563865
  H      -6.031437     -8.211330      3.522537
  H      -5.429903     -6.087137      1.417581
  H      -4.925156     -7.794256      1.424643
  H      -2.970805     -3.481779      1.372100
  H      -4.520254     -4.249126      1.016068
  H      -2.070255     -5.428571      2.405577
  H      -2.825754     -5.978663      0.889236
  C      -3.497418     -0.025753      3.608869
  C      -3.332530     -1.402965      2.963803
  C      -4.582456     -2.302118      3.066892
  C      -5.666195     -2.029813      1.992000
  N      -6.300778     -0.739004      2.084071
  C      -6.103673      0.332660      1.249279
  C      -5.123782      0.356116      0.230499
  C      -4.981651      1.487200     -0.572292
  C      -5.776329      2.620450     -0.401263
  C      -6.742839      2.605088      0.617524
  S      -7.811776      3.985914      0.938765
  C      -6.906336      1.482266      1.425977
  C      -9.358272     -7.352862      6.077900
  C      -8.235673     -7.416722      5.043497
  C      -7.505745     -6.075052      4.863679
  C      -8.394134     -5.014309      4.184324
  N      -8.037361     -3.697849      4.664151
  C      -8.616638     -2.536339      4.238192
  C      -9.645543     -2.512022      3.268616
  C     -10.211571     -1.296433      2.888155
  C      -9.797799     -0.084005      3.441446
  C      -8.777904     -0.102650      4.409068
  S      -8.167863      1.378756      5.171023
  C      -8.187097     -1.307204      4.795832
  C       0.108690     -5.947416      6.632491
  C      -1.093104     -4.997414      6.662566
  C      -2.514490     -5.605942      6.652303
  C      -2.654950     -6.800460      7.618606
  N      -4.028854     -7.200638      7.867253
  C      -4.918666     -6.387352      8.556406
  C      -6.303532     -6.643350      8.459435
  C      -7.210318     -5.870276      9.173350
  C      -6.786406     -4.826097      9.999861
  C      -5.414252     -4.570345     10.102181
  S      -4.759837     -3.268192     11.111930
  C      -4.486136     -5.339866      9.389397
  H      -2.537872      0.511505      3.619048
  H      -3.835647     -0.123166      4.651869
  H      -4.225329      0.599762      3.078263
  H      -2.515244     -1.938964      3.473745
  H      -3.024196     -1.286950      1.911613
  H      -5.045539     -2.114497      4.046508
  H      -5.240649     -2.143482      0.985568
  H      -6.435916     -2.812869      2.104879
  H      -7.029333     -0.648997      2.788470
  H      -4.465580     -0.497381      0.075464
  H      -4.218645      1.487026     -1.354067
  H      -5.646057      3.495956     -1.037571
  H      -7.317363      4.791261     -0.028744
  H      -7.659793      1.480137      2.215414
  H      -9.813462     -8.343451      6.219727
  H     -10.159192     -6.662730      5.777033
  H      -8.977384     -7.012586      7.051186
  H      -8.640951     -7.771430      4.081604
  H      -7.491988     -8.164346      5.364367
  H      -7.280428     -5.704153      5.875877
  H      -9.458175     -5.209199      4.405473
  H      -8.276181     -5.098880      3.084744
  H      -7.172582     -3.627485      5.208665
  H      -9.992539     -3.439224      2.814105
  H     -11.000301     -1.292641      2.132906
  H     -10.254329      0.855866      3.130936
  H      -8.937198      2.237838      4.463367
  H      -7.394110     -1.317170      5.547700
  H       0.161838     -6.541901      5.711169
  H       0.096699     -6.647617      7.480483
  H       1.043174     -5.371748      6.703120
  H      -1.023739     -4.390013      7.580389
  H      -1.034581     -4.283197      5.825155
  H      -3.182161     -4.821726      7.033049
  H      -2.119652     -7.682343      7.237933
  H      -2.174065     -6.548016      8.576298
  H      -4.457487     -7.690419      7.086269
  H      -6.652368     -7.456406      7.818836
  H      -8.278806     -6.078734      9.087905
  H      -7.509725     -4.222982     10.548495
  H      -5.950729     -2.807708     11.557430
  H      -3.425087     -5.108279      9.478696
  N      -5.210195     -4.014043      5.740559
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282291498685
  N      -4.217118     -3.734560      3.059809
  C      -3.691566     -4.200574      1.773871
  C      -3.016145     -5.560302      1.900534
  N      -3.835790     -6.458809      2.718438
  C      -5.072875     -6.905678      2.074661
  C      -6.159469     -7.193850      3.107907
  N      -6.195280     -6.190143      4.173429
  Mo     -4.622908     -5.014340      4.527470
  N      -3.040735     -5.928608      5.328252
  C      -2.253614     -6.879448      4.544436
  C      -3.085174     -7.500060      3.424703
  H      -1.874107     -7.701302      5.176501
  H      -1.356889     -6.388347      4.119864
  H      -3.818816     -8.189866      3.866612
  H      -2.439281     -8.085805      2.740744
  H      -7.121779     -7.224588      2.567206
  H      -6.018183     -8.206033      3.533420
  H      -5.412146     -6.088395      1.423112
  H      -4.909331     -7.795914      1.435334
  H      -2.949371     -3.487552      1.375306
  H      -4.500471     -4.251388      1.020057
  H      -2.053387     -5.431908      2.414518
  H      -2.807732     -5.984524      0.898544
  C      -3.466211     -0.022724      3.566129
  C      -3.317522     -1.401087      2.920067
  C      -4.563910     -2.300660      3.061906
  C      -5.668369     -2.039405      2.005534
  N      -6.299974     -0.747132      2.097968
  C      -6.121228      0.317617      1.250480
  C      -5.181445      0.327421      0.194233
  C      -5.058034      1.453771     -0.617623
  C      -5.833305      2.596479     -0.421400
  C      -6.761452      2.594052      0.632291
  S      -7.802885      3.987258      0.989643
  C      -6.905097      1.476351      1.451589
  C      -9.365804     -7.330370      6.061626
  C      -8.235872     -7.402476      5.034996
  C      -7.497719     -6.063914      4.861637
  C      -8.380194     -4.998512      4.180839
  N      -8.022105     -3.684333      4.664632
  C      -8.602944     -2.520076      4.248859
  C      -9.625419     -2.487791      3.272630
  C     -10.189696     -1.268983      2.899760
  C      -9.781049     -0.061648      3.467378
  C      -8.769198     -0.088416      4.443576
  S      -8.167068      1.386930      5.224088
  C      -8.179228     -1.295761      4.821916
  C       0.108121     -5.950764      6.649965
  C      -1.093584     -5.000812      6.683407
  C      -2.514265     -5.609454      6.666697
  C      -2.658466     -6.805669      7.630246
  N      -4.032973     -7.211462      7.864722
  C      -4.930881     -6.398842      8.544460
  C      -6.313963     -6.659019      8.435162
  C      -7.229422     -5.891589      9.144082
  C      -6.816754     -4.846919      9.975781
  C      -5.446317     -4.583988     10.087392
  S      -4.805422     -3.279568     11.103280
  C      -4.510110     -5.348508      9.380330
  H      -2.514953      0.527645      3.523606
  H      -3.750023     -0.118824      4.625298
  H      -4.229317      0.588370      3.069278
  H      -2.482991     -1.933952      3.405170
  H      -3.040490     -1.285479      1.859281
  H      -5.007653     -2.101763      4.048224
  H      -5.262460     -2.163670      0.992295
  H      -6.436421     -2.820601      2.142085
  H      -7.010699     -0.648825      2.819221
  H      -4.540668     -0.534446      0.013617
  H      -4.325870      1.442173     -1.428220
  H      -5.718053      3.468452     -1.065373
  H      -7.331393      4.788367      0.007333
  H      -7.628652      1.484347      2.268408
  H      -9.826634     -8.317938      6.205042
  H     -10.160685     -6.637260      5.751446
  H      -8.990528     -6.986560      7.035935
  H      -8.638003     -7.751495      4.069720
  H      -7.500346     -8.156613      5.358391
  H      -7.274775     -5.695534      5.875348
  H      -9.445708     -5.190879      4.395804
  H      -8.256842     -5.079773      3.081505
  H      -7.165122     -3.616815      5.222120
  H      -9.967032     -3.411094      2.806102
  H     -10.972557     -1.257992      2.138535
  H     -10.236477      0.880572      3.162421
  H      -8.932303      2.250806      4.518341
  H      -7.391780     -1.312671      5.579471
  H       0.162289     -6.541458      5.726011
  H       0.094730     -6.654395      7.495186
  H       1.042342     -5.375359      6.724132
  H      -1.026126     -4.399344      7.605395
  H      -1.033296     -4.281283      5.850776
  H      -3.184349     -4.826605      7.045947
  H      -2.115915     -7.684788      7.254214
  H      -2.187802     -6.551700      8.592677
  H      -4.452537     -7.693320      7.073725
  H      -6.654259     -7.472539      7.790510
  H      -8.296235     -6.105721      9.051773
  H      -7.546855     -4.249272     10.521545
  H      -6.002531     -2.817388     11.530581
  H      -3.450641     -5.111975      9.477317
  N      -5.200645     -4.005162      5.740220
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282330690534
  N      -4.204178     -3.727195      3.056155
  C      -3.682665     -4.198391      1.770237
  C      -3.009039     -5.558673      1.899054
  N      -3.828418     -6.454343      2.720057
  C      -5.065463     -6.902085      2.076993
  C      -6.152605     -7.187401      3.109960
  N      -6.189873     -6.180007      4.171739
  Mo     -4.617422     -5.003811      4.524988
  N      -3.041327     -5.921330      5.332860
  C      -2.249908     -6.869702      4.550064
  C      -3.077885     -7.493528      3.429426
  H      -1.868404     -7.689980      5.182833
  H      -1.354547     -6.375259      4.126554
  H      -3.811353     -8.183738      3.871009
  H      -2.429806     -8.079256      2.747591
  H      -7.113950     -7.220783      2.567761
  H      -6.011192     -8.198438      3.538364
  H      -5.403768     -6.085732      1.423790
  H      -4.902032     -7.793623      1.439405
  H      -2.939835     -3.487905      1.368578
  H      -4.493282     -4.249520      1.018345
  H      -2.045095     -5.430611      2.410974
  H      -2.802846     -5.985290      0.897582
  C      -3.427749     -0.022338      3.531735
  C      -3.306782     -1.394778      2.867606
  C      -4.548782     -2.293135      3.052339
  C      -5.677365     -2.039658      2.020277
  N      -6.296474     -0.741363      2.111790
  C      -6.126307      0.316111      1.253825
  C      -5.221462      0.305999      0.167852
  C      -5.106101      1.426502     -0.653013
  C      -5.856258      2.582723     -0.437931
  C      -6.750068      2.599917      0.644873
  S      -7.757316      4.011497      1.028038
  C      -6.884372      1.488573      1.474425
  C      -9.361165     -7.321431      6.061901
  C      -8.229413     -7.393162      5.036640
  C      -7.492675     -6.053566      4.859508
  C      -8.376846     -4.991884      4.174892
  N      -8.015097     -3.675534      4.648868
  C      -8.602850     -2.512919      4.239104
  C      -9.621285     -2.481186      3.258639
  C     -10.187831     -1.263076      2.886911
  C      -9.786063     -0.056174      3.460089
  C      -8.779617     -0.082578      4.441779
  S      -8.187287      1.391764      5.231387
  C      -8.187266     -1.289005      4.819037
  C       0.101858     -5.942635      6.668636
  C      -1.102011     -4.995379      6.700613
  C      -2.520990     -5.607449      6.675303
  C      -2.666192     -6.809048      7.632181
  N      -4.040524     -7.217570      7.861075
  C      -4.938962     -6.413955      8.550254
  C      -6.322261     -6.671999      8.435126
  C      -7.238660     -5.914508      9.153288
  C      -6.827034     -4.881545     10.000412
  C      -5.456672     -4.620166     10.117144
  S      -4.816652     -3.330437     11.152386
  C      -4.519743     -5.374484      9.400255
  H      -2.487135      0.539058      3.433566
  H      -3.644964     -0.128534      4.605566
  H      -4.227285      0.582240      3.086452
  H      -2.452576     -1.932355      3.311787
  H      -3.074640     -1.268466      1.797242
  H      -4.968193     -2.083276      4.047143
  H      -5.298531     -2.182692      0.999060
  H      -6.448248     -2.811940      2.187903
  H      -6.990351     -0.630447      2.847606
  H      -4.602750     -0.567699     -0.032441
  H      -4.401442      1.398796     -1.487164
  H      -5.747684      3.449812     -1.089611
  H      -7.309616      4.797546      0.022678
  H      -7.581290      1.511949      2.314192
  H      -9.818012     -8.310043      6.210031
  H     -10.158208     -6.633283      5.746711
  H      -8.989026     -6.970889      7.034921
  H      -8.630379     -7.744611      4.071962
  H      -7.493058     -8.145664      5.361596
  H      -7.270346     -5.681206      5.871837
  H      -9.441835     -5.182262      4.394107
  H      -8.257091     -5.080123      3.075733
  H      -7.166161     -3.606751      5.217605
  H      -9.956437     -3.404380      2.787201
  H     -10.966353     -1.252077      2.121230
  H     -10.243018      0.885397      3.155491
  H      -8.955706      2.255087      4.528519
  H      -7.403484     -1.305830      5.580293
  H       0.164298     -6.526099      5.740649
  H       0.083531     -6.652518      7.508457
  H       1.034252     -5.365857      6.754196
  H      -1.039882     -4.397942      7.625603
  H      -1.039805     -4.271958      5.871515
  H      -3.195059     -4.828670      7.056203
  H      -2.120551     -7.685001      7.253098
  H      -2.198789     -6.559582      8.597329
  H      -4.460833     -7.690682      7.064923
  H      -6.661782     -7.475865      7.778203
  H      -8.305377     -6.127002      9.056266
  H      -7.557840     -4.291819     10.553978
  H      -6.014100     -2.872698     11.583417
  H      -3.460353     -5.138514      9.501732
  N      -5.196918     -3.992434      5.735066
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282355932562
  N      -4.198936     -3.723987      3.058261
  C      -3.677764     -4.193206      1.771445
  C      -3.004189     -5.553894      1.898198
  N      -3.824765     -6.450948      2.716687
  C      -5.060848     -6.896976      2.070879
  C      -6.148895     -7.185371      3.101981
  N      -6.187585     -6.180868      4.166696
  Mo     -4.616466     -5.003710      4.523340
  N      -3.042826     -5.923507      5.333079
  C      -2.249752     -6.869708      4.548737
  C      -3.075624     -7.491414      3.425511
  H      -1.868381     -7.691168      5.180077
  H      -1.354358     -6.373069      4.127909
  H      -3.809762     -8.182548      3.864646
  H      -2.426174     -8.075888      2.743813
  H      -7.109705     -7.217588      2.558650
  H      -6.008194     -8.197736      3.527496
  H      -5.398619     -6.078723      1.419742
  H      -4.896838     -7.786522      1.430631
  H      -2.934948     -3.482073      1.370917
  H      -4.488335     -4.243312      1.019433
  H      -2.040344     -5.427158      2.410609
  H      -2.797616     -5.978416      0.895847
  C      -3.424122     -0.021832      3.538960
  C      -3.308487     -1.387992      2.860868
  C      -4.545768     -2.290735      3.056972
  C      -5.683354     -2.040044      2.033734
  N      -6.295889     -0.738478      2.122217
  C      -6.126816      0.314847      1.259558
  C      -5.230427      0.295661      0.166908
  C      -5.116817      1.411705     -0.660555
  C      -5.860750      2.571890     -0.445393
  C      -6.745766      2.598250      0.644694
  S      -7.742712      4.017210      1.028207
  C      -6.877648      1.491958      1.481226
  C      -9.356431     -7.332456      6.055080
  C      -8.224744     -7.398913      5.029407
  C      -7.491022     -6.057661      4.853998
  C      -8.375869     -4.995767      4.170657
  N      -8.009616     -3.679330      4.640631
  C      -8.600245     -2.516216      4.237308
  C      -9.623190     -2.482369      3.261605
  C     -10.192736     -1.263765      2.896084
  C      -9.790470     -0.058271      3.471620
  C      -8.778793     -0.086594      4.447787
  S      -8.185608      1.385973      5.239786
  C      -8.183251     -1.293598      4.818897
  C       0.097929     -5.950643      6.674991
  C      -1.104136     -5.001082      6.705067
  C      -2.523899     -5.610921      6.676434
  C      -2.672780     -6.812536      7.632997
  N      -4.048976     -7.215939      7.863129
  C      -4.944395     -6.407435      8.551338
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  C      -7.242312     -5.896420      9.151243
  C      -6.826752     -4.863310      9.995905
  C      -5.455459     -4.608222     10.113452
  S      -4.811871     -3.318800     11.146960
  C      -4.520964     -5.368522      9.399532
  H      -2.489621      0.547022      3.426383
  H      -3.619212     -0.138743      4.615889
  H      -4.236769      0.580388      3.114293
  H      -2.445736     -1.926071      3.287498
  H      -3.094866     -1.251527      1.787989
  H      -4.956567     -2.081037      4.055524
  H      -5.315200     -2.192903      1.010049
  H      -6.456305     -2.806987      2.214111
  H      -6.984285     -0.621411      2.862167
  H      -4.616968     -0.581278     -0.034720
  H      -4.418511      1.376968     -1.499624
  H      -5.753180      3.435570     -1.101763
  H      -7.300072      4.793735      0.013222
  H      -7.565950      1.523777      2.328307
  H      -9.810682     -8.322660      6.200157
  H     -10.155523     -6.645795      5.741501
  H      -8.985127     -6.983937      7.029209
  H      -8.624815     -7.750114      4.064492
  H      -7.486285     -8.149825      5.353344
  H      -7.270129     -5.687021      5.867183
  H      -9.440559     -5.184360      4.394415
  H      -8.260875     -5.086442      3.071424
  H      -7.164039     -3.612353      5.213863
  H      -9.960012     -3.404606      2.789360
  H     -10.974548     -1.251226      2.133822
  H     -10.250579      0.883462      3.172570
  H      -8.957525      2.250607      4.541994
  H      -7.395287     -1.311668      5.575776
  H       0.162844     -6.531562      5.745719
  H       0.075280     -6.662775      7.512706
  H       1.031061     -5.375805      6.765695
  H      -1.042893     -4.404105      7.630377
  H      -1.038763     -4.277473      5.876352
  H      -3.197232     -4.831247      7.057002
  H      -2.131419     -7.690743      7.252693
  H      -2.203159     -6.565925      8.597708
  H      -4.471798     -7.687147      7.067118
  H      -6.670908     -7.463330      7.780300
  H      -8.309895     -6.103618      9.052800
  H      -7.555428     -4.268564     10.547031
  H      -6.008512     -2.853041     11.571066
  H      -3.460797     -5.136024      9.500777
  N      -5.197732     -3.995974      5.735691
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282368118549
  N      -4.198026     -3.721541      3.057080
  C      -3.677876     -4.190061      1.769917
  C      -3.004004     -5.550830      1.895862
  N      -3.824819     -6.448395      2.714048
  C      -5.060494     -6.894520      2.067558
  C      -6.148667     -7.184888      3.097965
  N      -6.188364     -6.181424      4.163605
  Mo     -4.618312     -5.002276      4.520697
  N      -3.045299     -5.921259      5.332114
  C      -2.251068     -6.866368      4.547339
  C      -3.075553     -7.488340      3.423425
  H      -1.869378     -7.687608      5.178838
  H      -1.355986     -6.368195      4.127730
  H      -3.809449     -8.180232      3.861868
  H      -2.425058     -8.072250      2.742211
  H      -7.109487     -7.217291      2.554576
  H      -6.007785     -8.197761      3.522448
  H      -5.398864     -6.075230      1.417971
  H      -4.896048     -7.782715      1.425588
  H      -2.935875     -3.478330      1.368564
  H      -4.489013     -4.240904      1.018596
  H      -2.039619     -5.424823      2.407344
  H      -2.798318     -5.974426      0.892922
  C      -3.436128     -0.017856      3.547869
  C      -3.313473     -1.381889      2.866350
  C      -4.548171     -2.289263      3.058431
  C      -5.685611     -2.039764      2.034548
  N      -6.298148     -0.737963      2.117969
  C      -6.124646      0.315207      1.256389
  C      -5.221347      0.294903      0.169688
  C      -5.104246      1.409510     -0.659669
  C      -5.851312      2.568775     -0.450936
  C      -6.742164      2.596529      0.634638
  S      -7.741471      4.016585      1.007855
  C      -6.877810      1.491770      1.472390
  C      -9.353756     -7.342344      6.052200
  C      -8.222342     -7.403870      5.026215
  C      -7.491894     -6.061199      4.851204
  C      -8.378774     -4.999901      4.169456
  N      -8.011331     -3.683439      4.639257
  C      -8.602432     -2.519200      4.239424
  C      -9.628817     -2.483079      3.267601
  C     -10.197994     -1.263348      2.905060
  C      -9.792223     -0.058786      3.480195
  C      -8.776127     -0.089126      4.451390
  S      -8.176875      1.382348      5.240944
  C      -8.181083     -1.297354      4.819757
  C       0.095454     -5.952736      6.673071
  C      -1.105937     -5.002432      6.705674
  C      -2.526504     -5.610901      6.676039
  C      -2.676124     -6.814222      7.630743
  N      -4.052996     -7.214290      7.863245
  C      -4.945478     -6.405823      8.554900
  C      -6.330274     -6.654285      8.441652
  C      -7.241165     -5.887312      9.156976
  C      -6.821124     -4.855789     10.001113
  C      -5.448763     -4.606491     10.118262
  S      -4.800369     -3.320669     11.153634
  C      -4.517239     -5.370049      9.403676
  H      -2.502123      0.553272      3.443631
  H      -3.638644     -0.138815      4.622958
  H      -4.246946      0.584011      3.119122
  H      -2.449930     -1.917347      3.294301
  H      -3.100032     -1.242289      1.793970
  H      -4.959718     -2.082568      4.057318
  H      -5.317415     -2.196630      1.011439
  H      -6.459450     -2.805032      2.216621
  H      -6.986285     -0.618732      2.857955
  H      -4.604499     -0.581020     -0.025698
  H      -4.400515      1.374154     -1.494188
  H      -5.740960      3.431388     -1.108266
  H      -7.293759      4.787957     -0.008791
  H      -7.570294      1.524858      2.316170
  H      -9.807963     -8.333471      6.191454
  H     -10.152842     -6.654325      5.741633
  H      -8.982996     -6.999440      7.028319
  H      -8.621934     -7.756132      4.061539
  H      -7.481224     -8.152440      5.349574
  H      -7.271751     -5.691398      5.864823
  H      -9.442977     -5.189112      4.395987
  H      -8.266529     -5.090934      3.070072
  H      -7.165940     -3.618108      5.212507
  H      -9.968966     -3.404460      2.796046
  H     -10.982479     -1.249101      2.145549
  H     -10.252490      0.883718      3.183755
  H      -8.943762      2.249518      4.540606
  H      -7.389163     -1.316460      5.572517
  H       0.162110     -6.527965      5.740427
  H       0.070694     -6.670041      7.506230
  H       1.028809     -5.379048      6.769416
  H      -1.043689     -4.406834      7.631746
  H      -1.039900     -4.277576      5.877972
  H      -3.198908     -4.831204      7.058157
  H      -2.138321     -7.692903      7.246183
  H      -2.203469     -6.571820      8.595052
  H      -4.478844     -7.688327      7.070578
  H      -6.675388     -7.456909      7.786224
  H      -8.309608     -6.089980      9.058003
  H      -7.547195     -4.258059     10.552434
  H      -5.995476     -2.848396     11.574767
  H      -3.456232     -5.141210      9.504369
  N      -5.199141     -3.997130      5.735457
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282373140139
  N      -4.192105     -3.722135      3.057291
  C      -3.671756     -4.190695      1.770332
  C      -2.997854     -5.551404      1.896946
  N      -3.819450     -6.448879      2.714569
  C      -5.054515     -6.895268      2.066952
  C      -6.143574     -7.185959      3.096328
  N      -6.185247     -6.181936      4.161337
  Mo     -4.615213     -5.003217      4.520143
  N      -3.043684     -5.922695      5.333876
  C      -2.247817     -6.866868      4.549567
  C      -3.070688     -7.488814      3.424524
  H      -1.866133     -7.688024      5.181158
  H      -1.352823     -6.367694      4.131088
  H      -3.804756     -8.181291      3.861710
  H      -2.418997     -8.072089      2.743910
  H      -7.103803     -7.219493      2.551978
  H      -6.002226     -8.198350      3.521783
  H      -5.392675     -6.075995      1.417214
  H      -4.889314     -7.783312      1.424992
  H      -2.929905     -3.478913      1.368735
  H      -4.482722     -4.241894      1.018832
  H      -2.033850     -5.425376      2.409123
  H      -2.791412     -5.975104      0.894228
  C      -3.433397     -0.017977      3.541968
  C      -3.312417     -1.381041      2.858150
  C      -4.544520     -2.290520      3.057828
  C      -5.687415     -2.044749      2.038975
  N      -6.300099     -0.742943      2.121566
  C      -6.129640      0.309162      1.258032
  C      -5.237177      0.284497      0.162390
  C      -5.123866      1.398081     -0.668983
  C      -5.864210      2.560345     -0.453768
  C      -6.743723      2.592588      0.640917
  S      -7.733027      4.017229      1.023220
  C      -6.875472      1.489125      1.480880
  C      -9.355334     -7.341488      6.042627
  C      -8.222034     -7.403315      5.018989
  C      -7.489717     -6.061461      4.847149
  C      -8.374549     -4.997925      4.166324
  N      -8.005139     -3.682677      4.637848
  C      -8.597623     -2.517189      4.244322
  C      -9.628475     -2.477845      3.277348
  C     -10.198615     -1.256773      2.920870
  C      -9.789097     -0.054002      3.497215
  C      -8.768434     -0.087636      4.463469
  S      -8.164601      1.381751      5.253822
  C      -8.172644     -1.297239      4.826168
  C       0.095326     -5.953660      6.680237
  C      -1.106469     -5.003734      6.711249
  C      -2.527134     -5.611911      6.678564
  C      -2.679309     -6.814500      7.633747
  N      -4.057019     -7.213566      7.863312
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  C      -7.247797     -5.882921      9.146886
  C      -6.829557     -4.848535      9.988292
  C      -5.457467     -4.598167     10.106720
  S      -4.811325     -3.308687     11.139008
  C      -4.524473     -5.363796      9.396205
  H      -2.501838      0.555831      3.430803
  H      -3.626692     -0.140473      4.618574
  H      -4.249297      0.582027      3.120424
  H      -2.444999     -1.915089      3.279933
  H      -3.106771     -1.239682      1.784603
  H      -4.951717     -2.082855      4.058226
  H      -5.323834     -2.204296      1.014610
  H      -6.459775     -2.809987      2.226923
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  H      -4.626294     -0.594218     -0.038790
  H      -4.428757      1.359192     -1.510613
  H      -5.757409      3.421841     -1.113141
  H      -7.290490      4.786738      0.002942
  H      -7.558098      1.526163      2.332331
  H      -9.811185     -8.332275      6.179232
  H     -10.152831     -6.651868      5.731553
  H      -8.986249     -7.000675      7.020097
  H      -8.620246     -7.754179      4.053118
  H      -7.482506     -8.153188      5.343082
  H      -7.270629     -5.693640      5.861797
  H      -9.439086     -5.185662      4.392453
  H      -8.261976     -5.087521      3.066844
  H      -7.160507     -3.619429      5.212687
  H      -9.971376     -3.397699      2.804789
  H     -10.986909     -1.239959      2.165354
  H     -10.249933      0.889660      3.205297
  H      -8.936471      2.250722      4.561298
  H      -7.377447     -1.318897      5.575510
  H       0.164409     -6.527437      5.746902
  H       0.068863     -6.672276      7.512281
  H       1.028261     -5.379819      6.779657
  H      -1.046034     -4.408934      7.637954
  H      -1.038745     -4.278087      5.884349
  H      -3.199962     -4.831652      7.058646
  H      -2.141471     -7.693777      7.250782
  H      -2.208683     -6.571850      8.598902
  H      -4.480574     -7.687861      7.069735
  H      -6.678877     -7.457191      7.782439
  H      -8.316001     -6.086461      9.047009
  H      -7.556742     -4.249429     10.536567
  H      -6.007435     -2.834517     11.555421
  H      -3.463835     -5.134087      9.497416
  N      -5.196290     -3.998289      5.734936
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282376938627
  N      -4.191985     -3.722315      3.057630
  C      -3.671152     -4.190492      1.770827
  C      -2.997129     -5.551053      1.897569
  N      -3.818915     -6.448433      2.715083
  C      -5.053992     -6.894807      2.067405
  C      -6.143138     -7.185749      3.096644
  N      -6.185279     -6.181838      4.161835
  Mo     -4.614972     -5.003446      4.520702
  N      -3.042919     -5.922355      5.334093
  C      -2.247060     -6.866474      4.549745
  C      -3.070061     -7.488452      3.424840
  H      -1.865239     -7.687537      5.181340
  H      -1.352166     -6.367297      4.131060
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  H      -2.418369     -8.071549      2.744079
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  H      -6.001443     -8.198005      3.522250
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  H      -2.929548     -3.478380      1.369361
  H      -4.481780     -4.242032      1.018968
  H      -2.033290     -5.425071      2.410049
  H      -2.790458     -5.974859      0.894969
  C      -3.436523     -0.017594      3.542465
  C      -3.314630     -1.380344      2.858133
  C      -4.545886     -2.290980      3.058335
  C      -5.689736     -2.046833      2.040161
  N      -6.303226     -0.745474      2.121060
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  C      -5.238137      0.280955      0.162383
  C      -5.122811      1.394778     -0.668361
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  S      -7.726878      4.017904      1.025386
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  C      -9.355901     -7.342485      6.042079
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  C      -8.374824     -4.998372      4.166941
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  C     -10.200018     -1.256723      2.923972
  C      -9.789561     -0.054105      3.500082
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  S      -8.164030      1.380965      5.256384
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  C      -1.105636     -5.003575      6.711451
  C      -2.526374     -5.611449      6.678609
  C      -2.678821     -6.813974      7.633710
  N      -4.056538     -7.212996      7.862451
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  C      -7.248396     -5.880757      9.141411
  C      -6.830767     -4.845287      9.981908
  C      -5.458750     -4.594554     10.101087
  S      -4.813169     -3.303822     11.132136
  C      -4.525254     -5.360918      9.392111
  H      -2.504276      0.555625      3.433791
  H      -3.631877     -0.140568      4.618660
  H      -4.251074      0.583418      3.119897
  H      -2.446728     -1.913811      3.279635
  H      -3.109287     -1.238474      1.784596
  H      -4.952957     -2.083884      4.058885
  H      -5.326555     -2.207304      1.015746
  H      -6.461462     -2.812389      2.229799
  H      -6.984943     -0.623270      2.866438
  H      -4.629027     -0.599033     -0.038866
  H      -4.428031      1.354958     -1.510216
  H      -5.753050      3.419703     -1.111732
  H      -7.279521      4.788926      0.008385
  H      -7.556362      1.525795      2.333301
  H      -9.811580     -8.333480      6.177812
  H     -10.153407     -6.652941      5.730841
  H      -8.987865     -7.002040      7.020133
  H      -8.619096     -7.755460      4.053319
  H      -7.482051     -8.153199      5.344242
  H      -7.270917     -5.693830      5.862437
  H      -9.439096     -5.185526      4.394246
  H      -8.263179     -5.088426      3.067363
  H      -7.160857     -3.619896      5.213804
  H      -9.972956     -3.397588      2.806834
  H     -10.989170     -1.239681      2.169367
  H     -10.250246      0.889772      3.208586
  H      -8.936810      2.250024      4.565117
  H      -7.377469     -1.319862      5.577257
  H       0.165242     -6.525574      5.744520
  H       0.070052     -6.673380      7.509731
  H       1.029117     -5.379555      6.779068
  H      -1.044952     -4.410023      7.638963
  H      -1.038098     -4.276808      5.885549
  H      -3.199041     -4.830877      7.058238
  H      -2.141066     -7.693149      7.250588
  H      -2.208524     -6.571511      8.599106
  H      -4.478845     -7.688535      7.069007
  H      -6.678287     -7.456917      7.779433
  H      -8.316494     -6.084754      9.041266
  H      -7.558385     -4.245600     10.528951
  H      -6.009417     -2.829635     11.548318
  H      -3.464647     -5.131450      9.494053
  N      -5.194710     -3.998770      5.736298
102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca E -7129.282380094840
  N      -4.192246     -3.723170      3.055880
  C      -3.670823     -4.191607      1.769524
  C      -2.996431     -5.551836      1.897171
  N      -3.818097     -6.448713      2.715337
  C      -5.053077     -6.895885      2.067915
  C      -6.142202     -7.186891      3.097143
  N      -6.185444     -6.182147      4.161558
  Mo     -4.615187     -5.003455      4.519990
  N      -3.042418     -5.920589      5.333910
  C      -2.246146     -6.864923      4.550250
  C      -3.068866     -7.488065      3.425778
  H      -1.863888     -7.685293      5.182463
  H      -1.351501     -6.365702      4.131100
  H      -3.802611     -8.180747      3.863149
  H      -2.416952     -8.071325      2.745369
  H      -7.102213     -7.221874      2.552580
  H      -5.999467     -8.198581      3.523738
  H      -5.391705     -6.076809      1.418175
  H      -4.887340     -7.783998      1.426201
  H      -2.929608     -3.479216      1.367844
  H      -4.481042     -4.244082      1.017251
  H      -2.032742     -5.425433      2.409819
  H      -2.789580     -5.976465      0.894978
  C      -3.441037     -0.016703      3.536965
  C      -3.317249     -1.380439      2.854996
  C      -4.547624     -2.291998      3.055902
  C      -5.692385     -2.049946      2.038192
  N      -6.307869     -0.749500      2.117615
  C      -6.131689      0.304278      1.257215
  C      -5.240886      0.277752      0.160172
  C      -5.122943      1.393010     -0.668145
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  S      -7.716601      4.020748      1.034388
  C      -6.870971      1.487502      1.484481
  C      -9.356345     -7.343975      6.041177
  C      -8.221510     -7.404742      5.019108
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  C      -8.375085     -4.999153      4.167035
  N      -8.004100     -3.683720      4.636910
  C      -8.598001     -2.518014      4.246713
  C      -9.630305     -2.477470      3.281362
  C     -10.200140     -1.255755      2.926608
  C      -9.788546     -0.053590      3.502925
  C      -8.767553     -0.088843      4.468738
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  C      -1.105823     -5.001367      6.712119
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  N      -4.056659     -7.210939      7.862002
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  S      -4.815530     -3.301424     11.129998
  C      -4.526646     -5.358847      9.390984
  H      -2.507615      0.555313      3.431720
  H      -3.640866     -0.137923      4.612562
  H      -4.253050      0.584930      3.110404
  H      -2.449336     -1.912500      3.278261
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  H      -4.635428     -0.604253     -0.043459
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  H      -5.747538      3.420764     -1.106643
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  H      -7.552144      1.525267      2.337004
  H      -9.812239     -8.335047      6.175634
  H     -10.153639     -6.654010      5.730325
  H      -8.989113     -7.004593      7.019936
  H      -8.618064     -7.757039      4.053050
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  H     -10.989800     -1.238056      2.172562
  H     -10.248513      0.890759      3.211819
  H      -8.933066      2.249598      4.567845
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  H       1.028964     -5.376740      6.781211
  H      -1.045604     -4.409078      7.640507
  H      -1.038279     -4.273417      5.887277
  H      -3.199302     -4.828675      7.057543
  H      -2.141300     -7.690917      7.250061
  H      -2.208782     -6.569674      8.599083
  H      -4.478160     -7.688701      7.069462
  H      -6.678246     -7.456779      7.778541
  H      -8.317445     -6.085152      9.039799
  H      -7.560578     -4.244845     10.526795
  H      -6.011789     -2.828430     11.547594
  H      -3.466072     -5.129200      9.493293
  N      -5.193400     -3.998348      5.735879
