86
Coordinates from ORCA-job orca E -5475.905540460321
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  N      -5.280673     -2.458670      6.153698
  H      -5.637705     -2.880235      7.018271
86
Coordinates from ORCA-job orca E -5475.937366606241
  N      -3.920531     -3.404059      2.661837
  C      -3.919958     -3.990485      1.327734
  C      -3.138014     -5.286571      1.333445
  N      -3.596036     -6.095606      2.462269
  C      -4.824968     -6.846130      2.142193
  C      -5.698912     -6.933926      3.404920
  N      -5.922443     -5.607566      3.948176
  Mo     -4.020465     -4.769811      4.132143
  N      -2.065342     -5.187297      4.498771
  C      -1.476590     -6.241920      3.687094
  C      -2.546151     -7.010292      2.922067
  H      -0.932660     -6.981817      4.298757
  H      -0.735140     -5.827954      2.976606
  H      -3.011088     -7.738246      3.596898
  H      -2.100974     -7.564032      2.078369
  H      -6.628114     -7.467185      3.153637
  H      -5.183216     -7.567209      4.146781
  H      -5.380002     -6.297506      1.377331
  H      -4.585988     -7.846024      1.747448
  H      -3.457898     -3.337252      0.577206
  H      -4.956199     -4.174195      0.992057
  H      -2.084480     -5.038129      1.498911
  H      -3.233986     -5.834306      0.382866
  C      -1.728576      0.399845      1.091504
  C      -1.576882     -0.407251      2.143647
  C      -0.780025      0.019267      3.346274
  C      -2.130420     -1.808253      2.167684
  C      -3.650449     -1.954855      2.533841
  C      -4.554515     -1.306985      1.463935
  C      -3.901019     -1.171309      3.814897
  C      -7.378185     -5.786715      6.861893
  C      -8.312226     -5.334487      6.021385
  C      -9.397372     -4.396158      6.469761
  C      -8.344245     -5.755958      4.577577
  C      -7.254308     -5.072366      3.667525
  C      -7.705228     -5.290783      2.199001
  C      -7.292892     -3.552021      3.875900
  C      -3.254684     -5.458569      8.434051
  C      -2.822386     -6.003499      7.292545
  C      -3.739055     -6.774550      6.395160
  C      -1.405971     -5.865406      6.821300
  C      -1.226313     -4.839456      5.641387
  C       0.280760     -4.801329      5.296267
  C      -1.578742     -3.438320      6.155085
  H      -1.323881      1.407025      1.080434
  H      -2.260466      0.090988      0.197727
  H      -1.342141     -0.137648      4.271305
  H      -0.496221      1.072505      3.278663
  H       0.136218     -0.580118      3.412081
  H      -1.589628     -2.413622      2.905855
  H      -1.976200     -2.262604      1.181445
  H      -4.451806     -0.221682      1.509942
  H      -5.599450     -1.565743      1.658461
  H      -4.305245     -1.625773      0.449059
  H      -4.959508     -1.193837      4.064400
  H      -3.321961     -1.596562      4.627645
  H      -3.609447     -0.129332      3.663727
  H      -6.635692     -6.504026      6.532107
  H      -7.342382     -5.483900      7.904160
  H     -10.358190     -4.924977      6.475112
  H      -9.496576     -3.548669      5.784394
  H      -9.208030     -4.020784      7.478769
  H      -8.195379     -6.840846      4.509293
  H      -9.326591     -5.523628      4.153943
  H      -7.758523     -6.347433      1.923753
  H      -7.016912     -4.779980      1.519983
  H      -8.699559     -4.861366      2.055374
  H      -8.183899     -3.128218      3.405019
  H      -7.309405     -3.284623      4.929984
  H      -6.401018     -3.127133      3.413493
  H      -4.276250     -5.586539      8.780271
  H      -2.595592     -4.893482      9.084438
  H      -3.936549     -6.166583      5.477080
  H      -3.271157     -7.710138      6.070127
  H      -4.683247     -7.005495      6.892333
  H      -0.763644     -5.541628      7.646531
  H      -1.044529     -6.844130      6.477245
  H       0.699031     -5.794975      5.117319
  H       0.828972     -4.350989      6.127190
  H       0.443881     -4.189157      4.404138
  H      -2.654256     -3.347268      6.295296
  H      -1.075761     -3.241188      7.104736
  H      -1.253332     -2.692917      5.425896
  N      -4.751955     -3.402651      5.515400
  N      -5.183206     -2.602263      6.328435
  H      -5.531027     -3.073216      7.182469
86
Coordinates from ORCA-job orca E -5475.958939644005
  N      -3.931095     -3.407098      2.635596
  C      -3.929078     -4.015996      1.292763
  C      -3.142730     -5.307239      1.307220
  N      -3.602026     -6.117977      2.451315
  C      -4.843318     -6.880535      2.136330
  C      -5.705034     -6.956659      3.400302
  N      -5.919140     -5.606638      3.930729
  Mo     -4.031035     -4.762021      4.117972
  N      -2.079318     -5.187779      4.482644
  C      -1.478832     -6.256165      3.678324
  C      -2.540737     -7.037956      2.925499
  H      -0.931817     -6.984434      4.300647
  H      -0.736106     -5.843509      2.968724
  H      -3.007450     -7.762407      3.607785
  H      -2.098606     -7.599988      2.085100
  H      -6.638284     -7.489077      3.163734
  H      -5.189268     -7.584744      4.149083
  H      -5.399707     -6.336642      1.363792
  H      -4.601331     -7.883511      1.748146
  H      -3.467629     -3.370644      0.536938
  H      -4.966552     -4.201285      0.957087
  H      -2.085421     -5.057889      1.468627
  H      -3.238222     -5.867427      0.363106
  C      -1.701578      0.433423      1.121258
  C      -1.561951     -0.394037      2.169473
  C      -0.770491      0.006091      3.388647
  C      -2.127927     -1.795433      2.166604
  C      -3.656004     -1.938379      2.523533
  C      -4.565916     -1.275871      1.463918
  C      -3.913639     -1.178997      3.823035
  C      -7.370761     -5.784264      6.872576
  C      -8.309030     -5.333705      6.024911
  C      -9.402333     -4.400008      6.472310
  C      -8.338648     -5.755097      4.573229
  C      -7.265815     -5.064427      3.650684
  C      -7.714608     -5.294707      2.182764
  C      -7.312068     -3.541061      3.858815
  C      -3.254900     -5.425845      8.462365
  C      -2.824412     -5.982564      7.319258
  C      -3.750065     -6.775043      6.443447
  C      -1.409233     -5.836968      6.827901
  C      -1.233671     -4.820515      5.637965
  C       0.268132     -4.789134      5.273931
  C      -1.581997     -3.410914      6.139910
  H      -1.286217      1.443992      1.130089
  H      -2.231750      0.136344      0.212727
  H      -1.342092     -0.162223      4.314058
  H      -0.473898      1.062468      3.343763
  H       0.144655     -0.606117      3.456810
  H      -1.590081     -2.416464      2.900660
  H      -1.964555     -2.237866      1.171894
  H      -4.461808     -0.186837      1.530429
  H      -5.616148     -1.537864      1.660091
  H      -4.324063     -1.572513      0.435269
  H      -4.979547     -1.204156      4.075487
  H      -3.336161     -1.607019      4.647364
  H      -3.621379     -0.130577      3.686644
  H      -6.618115     -6.501827      6.543918
  H      -7.342222     -5.478132      7.921824
  H     -10.368397     -4.932152      6.472352
  H      -9.506606     -3.545751      5.785497
  H      -9.220249     -4.022324      7.487690
  H      -8.186869     -6.843987      4.502771
  H      -9.326505     -5.528421      4.147888
  H      -7.764171     -6.357309      1.906874
  H      -7.030539     -4.779882      1.492609
  H      -8.716321     -4.870129      2.043321
  H      -8.215685     -3.126241      3.393905
  H      -7.321419     -3.270974      4.918697
  H      -6.430313     -3.090160      3.387538
  H      -4.280934     -5.558685      8.816336
  H      -2.588910     -4.844560      9.104428
  H      -3.951685     -6.182256      5.512816
  H      -3.284969     -7.716163      6.113739
  H      -4.698174     -6.998844      6.944049
  H      -0.757630     -5.498763      7.645256
  H      -1.042618     -6.822514      6.491614
  H       0.686450     -5.789882      5.099421
  H       0.826247     -4.329593      6.099917
  H       0.426863     -4.181465      4.370355
  H      -2.658157     -3.304503      6.297338
  H      -1.067274     -3.205631      7.087435
  H      -1.260683     -2.665725      5.398230
  N      -4.663246     -3.459503      5.474491
  N      -5.051613     -2.681981      6.282110
  H      -5.395963     -3.140021      7.157466
86
Coordinates from ORCA-job orca E -5461.731593181503
  N      -3.955528     -3.407972      2.622108
  C      -3.947828     -4.026834      1.275329
  C      -3.146666     -5.309247      1.293491
  N      -3.604026     -6.126063      2.443154
  C      -4.845372     -6.902255      2.126553
  C      -5.703643     -6.976727      3.388161
  N      -5.913846     -5.612173      3.907497
  Mo     -4.053915     -4.749336      4.110972
  N      -2.105660     -5.177895      4.481596
  C      -1.489826     -6.249840      3.683077
  C      -2.536662     -7.043801      2.930129
  H      -0.939923     -6.966457      4.315665
  H      -0.744969     -5.830641      2.980925
  H      -3.008182     -7.767942      3.610547
  H      -2.091327     -7.607061      2.092498
  H      -6.638813     -7.508318      3.159695
  H      -5.192035     -7.597563      4.145455
  H      -5.398415     -6.362419      1.347560
  H      -4.592798     -7.903908      1.741391
  H      -3.490208     -3.375777      0.520679
  H      -4.983861     -4.215999      0.938854
  H      -2.089778     -5.055875      1.456411
  H      -3.235675     -5.876426      0.352788
  C      -1.707803      0.431810      1.134614
  C      -1.570382     -0.402628      2.179979
  C      -0.775389     -0.016850      3.401108
  C      -2.147205     -1.801680      2.167644
  C      -3.673443     -1.933685      2.528484
  C      -4.580446     -1.270802      1.470522
  C      -3.929085     -1.185661      3.836238
  C      -7.356883     -5.801159      6.855336
  C      -8.292105     -5.333092      6.011658
  C      -9.375985     -4.392819      6.467720
  C      -8.327789     -5.743230      4.553852
  C      -7.262234     -5.052901      3.628981
  C      -7.709099     -5.279490      2.162686
  C      -7.287164     -3.531789      3.852835
  C      -3.251930     -5.401786      8.492698
  C      -2.829212     -5.965644      7.348333
  C      -3.763918     -6.775153      6.496697
  C      -1.419793     -5.815698      6.833850
  C      -1.248241     -4.802535      5.644281
  C       0.245143     -4.782313      5.254114
  C      -1.572226     -3.389672      6.147836
  H      -1.284796      1.440760      1.150376
  H      -2.241929      0.139077      0.224979
  H      -1.345899     -0.187223      4.329160
  H      -0.468391      1.038320      3.365919
  H       0.135653     -0.638383      3.468741
  H      -1.608693     -2.431170      2.895636
  H      -1.986531     -2.240110      1.169544
  H      -4.472255     -0.180664      1.540011
  H      -5.632862     -1.529220      1.667594
  H      -4.341657     -1.563149      0.438143
  H      -4.996417     -1.206984      4.096797
  H      -3.351000     -1.606236      4.667227
  H      -3.634574     -0.136313      3.701576
  H      -6.610752     -6.523712      6.519397
  H      -7.325527     -5.502252      7.908364
  H     -10.351247     -4.911592      6.460744
  H      -9.473477     -3.528822      5.789257
  H      -9.193222     -4.025080      7.488029
  H      -8.189428     -6.834104      4.473482
  H      -9.316075     -5.506204      4.131104
  H      -7.767517     -6.341582      1.881518
  H      -7.024366     -4.767155      1.469142
  H      -8.709951     -4.847731      2.027988
  H      -8.192787     -3.104904      3.400477
  H      -7.282608     -3.271035      4.918545
  H      -6.409731     -3.070522      3.378105
  H      -4.276483     -5.539191      8.854911
  H      -2.580433     -4.809941      9.122234
  H      -3.973351     -6.200007      5.556922
  H      -3.301804     -7.718200      6.163220
  H      -4.711216     -6.993152      7.001874
  H      -0.755792     -5.472617      7.640788
  H      -1.055637     -6.804399      6.499319
  H       0.656182     -5.786441      5.074178
  H       0.819568     -4.324973      6.072239
  H       0.396162     -4.174764      4.347439
  H      -2.637502     -3.258062      6.335388
  H      -1.034522     -3.192791      7.086150
  H      -1.255286     -2.644712      5.401122
  N      -4.609228     -3.527566      5.427500
  N      -4.986843     -2.753670      6.250760
  H      -5.326032     -3.187498      7.143267
86
Coordinates from ORCA-job orca E -5475.978351599401
  N      -3.988244     -3.420128      2.613063
  C      -3.987017     -4.035939      1.267916
  C      -3.164712     -5.304885      1.283122
  N      -3.606348     -6.123699      2.436626
  C      -4.839829     -6.912921      2.127440
  C      -5.703881     -6.985063      3.386750
  N      -5.920123     -5.614905      3.870906
  Mo     -4.074691     -4.745595      4.099797
  N      -2.132513     -5.158220      4.478913
  C      -1.502249     -6.221222      3.683163
  C      -2.534601     -7.028227      2.930497
  H      -0.942472     -6.923544      4.322101
  H      -0.761742     -5.789310      2.984814
  H      -3.005652     -7.752370      3.609575
  H      -2.083733     -7.589420      2.094064
  H      -6.638849     -7.519696      3.164452
  H      -5.193863     -7.582050      4.161644
  H      -5.392255     -6.386092      1.339968
  H      -4.574106     -7.914199      1.752660
  H      -3.543838     -3.373614      0.514078
  H      -5.022757     -4.233749      0.938717
  H      -2.109903     -5.042341      1.439475
  H      -3.251931     -5.876204      0.344529
  C      -1.699388      0.400223      1.183401
  C      -1.562185     -0.456722      2.207613
  C      -0.746664     -0.111631      3.425010
  C      -2.163809     -1.844264      2.171434
  C      -3.684258     -1.955112      2.556286
  C      -4.592916     -1.265048      1.519906
  C      -3.912114     -1.241159      3.886438
  C      -7.333803     -5.801525      6.821670
  C      -8.267158     -5.323705      5.985899
  C      -9.338666     -4.373743      6.446431
  C      -8.314846     -5.736805      4.529709
  C      -7.263641     -5.046221      3.591476
  C      -7.713145     -5.292509      2.131426
  C      -7.275566     -3.527564      3.815402
  C      -3.234361     -5.369350      8.501359
  C      -2.821381     -5.938512      7.358200
  C      -3.756656     -6.775939      6.535005
  C      -1.422714     -5.767343      6.821264
  C      -1.270893     -4.755777      5.632011
  C       0.216361     -4.725724      5.218564
  C      -1.597297     -3.342457      6.124429
  H      -1.258486      1.399393      1.215415
  H      -2.248299      0.133644      0.276711
  H      -1.308022     -0.289457      4.355839
  H      -0.417925      0.936397      3.408738
  H       0.150505     -0.753141      3.471781
  H      -1.623270     -2.498657      2.874321
  H      -2.025758     -2.263027      1.162665
  H      -4.465431     -0.178705      1.604854
  H      -5.646016     -1.507004      1.726789
  H      -4.371768     -1.543127      0.480870
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  H      -3.321052     -1.678277      4.697991
  H      -3.612986     -0.191432      3.769686
  H      -6.597170     -6.529064      6.480266
  H      -7.290863     -5.501418      7.872151
  H     -10.320235     -4.878424      6.437446
  H      -9.427977     -3.506713      5.772523
  H      -9.151792     -4.011677      7.466704
  H      -8.186430     -6.827774      4.447537
  H      -9.304636     -5.497781      4.113370
  H      -7.773104     -6.356796      1.864059
  H      -7.035107     -4.788150      1.428023
  H      -8.714640     -4.863508      1.997812
  H      -8.191374     -3.100018      3.386226
  H      -7.242486     -3.266244      4.879607
  H      -6.413423     -3.063970      3.318533
  H      -4.251796     -5.515559      8.875277
  H      -2.563784     -4.759013      9.111260
  H      -3.982729     -6.223299      5.585404
  H      -3.288134     -7.717837      6.207968
  H      -4.696529     -6.993561      7.051924
  H      -0.753369     -5.411233      7.617440
  H      -1.045690     -6.751019      6.489238
  H       0.635440     -5.724990      5.038729
  H       0.798056     -4.259685      6.025510
  H       0.350358     -4.120276      4.309464
  H      -2.653793     -3.212655      6.348347
  H      -1.033643     -3.132651      7.043620
  H      -1.307847     -2.602017      5.363894
  N      -4.623064     -3.544210      5.428888
  N      -5.024060     -2.774047      6.266637
  H      -5.310992     -3.209769      7.181540
86
Coordinates from ORCA-job orca E -5475.983340784787
  N      -4.008033     -3.436354      2.597504
  C      -3.997980     -4.051559      1.255864
  C      -3.163695     -5.311594      1.271468
  N      -3.608400     -6.130507      2.420810
  C      -4.838779     -6.919381      2.106949
  C      -5.711083     -6.986135      3.361068
  N      -5.918618     -5.613297      3.827423
  Mo     -4.095256     -4.738970      4.086716
  N      -2.165084     -5.156887      4.480179
  C      -1.527054     -6.219483      3.690631
  C      -2.546454     -7.030939      2.930067
  H      -0.968871     -6.911723      4.341000
  H      -0.782262     -5.782086      3.001308
  H      -3.030553     -7.751013      3.603247
  H      -2.089633     -7.594251      2.098278
  H      -6.652960     -7.509934      3.141961
  H      -5.211849     -7.572951      4.148437
  H      -5.381672     -6.395759      1.312252
  H      -4.566357     -7.920385      1.737097
  H      -3.562090     -3.376449      0.508736
  H      -5.030358     -4.254105      0.925004
  H      -2.110288     -5.050061      1.431503
  H      -3.245105     -5.884889      0.333249
  C      -1.709613      0.382609      1.220336
  C      -1.578002     -0.477677      2.239118
  C      -0.775589     -0.138100      3.463391
  C      -2.178601     -1.865224      2.187461
  C      -3.698221     -1.975542      2.565095
  C      -4.598021     -1.284800      1.524265
  C      -3.936783     -1.279375      3.897123
  C      -7.302840     -5.829977      6.782953
  C      -8.231276     -5.321436      5.965114
  C      -9.278373     -4.357343      6.444874
  C      -8.297872     -5.718720      4.506534
  C      -7.258183     -5.025027      3.560190
  C      -7.713339     -5.270895      2.107021
  C      -7.247282     -3.514938      3.802836
  C      -3.211905     -5.324182      8.522142
  C      -2.817273     -5.912804      7.384467
  C      -3.759765     -6.778213      6.603595
  C      -1.431634     -5.739915      6.818854
  C      -1.291291     -4.737523      5.628105
  C       0.190326     -4.712137      5.191328
  C      -1.598076     -3.321081      6.110968
  H      -1.271709      1.380687      1.262983
  H      -2.248994      0.116820      0.310552
  H      -1.343682     -0.318780      4.387685
  H      -0.444895      0.908049      3.456565
  H       0.118409     -0.781071      3.520053
  H      -1.639317     -2.524195      2.885803
  H      -2.033489     -2.275891      1.177955
  H      -4.470536     -0.199034      1.611417
  H      -5.651795     -1.523050      1.722684
  H      -4.368639     -1.558696      0.487746
  H      -4.995082     -1.303106      4.182125
  H      -3.346867     -1.708670      4.709632
  H      -3.642378     -0.228102      3.785664
  H      -6.586432     -6.566439      6.424042
  H      -7.241305     -5.543530      7.834348
  H     -10.271129     -4.836358      6.429919
  H      -9.352522     -3.478258      5.787252
  H      -9.081627     -4.015673      7.468750
  H      -8.190338     -6.809191      4.409510
  H      -9.289072     -5.465514      4.102632
  H      -7.780486     -6.334007      1.842889
  H      -7.042012     -4.770482      1.397573
  H      -8.714001     -4.838477      1.981111
  H      -8.171102     -3.076978      3.403227
  H      -7.183267     -3.267823      4.867279
  H      -6.400543     -3.045723      3.289848
  H      -4.221152     -5.470138      8.912345
  H      -2.535808     -4.696292      9.103826
  H      -4.002091     -6.259139      5.642003
  H      -3.292015     -7.724610      6.290413
  H      -4.691865     -6.983656      7.136316
  H      -0.751195     -5.374390      7.600739
  H      -1.053040     -6.723978      6.494498
  H       0.609992     -5.708945      5.012248
  H       0.783505     -4.242389      5.986495
  H       0.312829     -4.109622      4.280895
  H      -2.640977     -3.170679      6.377052
  H      -1.002494     -3.112233      7.009048
  H      -1.323403     -2.588124      5.340584
  N      -4.593166     -3.569340      5.416372
  N      -5.001642     -2.794578      6.270156
  H      -5.271023     -3.228663      7.184408
86
Coordinates from ORCA-job orca E -5475.987427497569
  N      -4.009984     -3.432542      2.591570
  C      -3.979509     -4.048619      1.252613
  C      -3.145018     -5.308062      1.272109
  N      -3.608553     -6.129953      2.408526
  C      -4.836479     -6.911433      2.074444
  C      -5.719674     -6.976628      3.319433
  N      -5.918646     -5.605099      3.789280
  Mo     -4.111990     -4.725982      4.083414
  N      -2.195035     -5.167323      4.498864
  C      -1.552171     -6.230083      3.712983
  C      -2.563530     -7.035182      2.935636
  H      -1.003640     -6.924158      4.369722
  H      -0.798303     -5.791568      3.034623
  H      -3.065487     -7.751965      3.599762
  H      -2.096350     -7.601347      2.111647
  H      -6.666316     -7.488483      3.094363
  H      -5.230445     -7.568869      4.109569
  H      -5.368280     -6.384226      1.274999
  H      -4.561573     -7.912399      1.704165
  H      -3.541436     -3.366330      0.513750
  H      -5.007351     -4.254806      0.910917
  H      -2.092599     -5.051787      1.445239
  H      -3.216666     -5.877309      0.330339
  C      -1.693843      0.368556      1.186461
  C      -1.571653     -0.475375      2.219481
  C      -0.782323     -0.115277      3.445430
  C      -2.172530     -1.863981      2.182023
  C      -3.692551     -1.970408      2.554733
  C      -4.586332     -1.282939      1.504687
  C      -3.940148     -1.266721      3.877881
  C      -7.291006     -5.927250      6.755267
  C      -8.210757     -5.369201      5.960642
  C      -9.232024     -4.396909      6.476083
  C      -8.295089     -5.723910      4.493509
  C      -7.263435     -5.009754      3.551741
  C      -7.728459     -5.226817      2.099654
  C      -7.243400     -3.509809      3.832438
  C      -3.208831     -5.286645      8.544746
  C      -2.828662     -5.896613      7.413387
  C      -3.778775     -6.780310      6.663736
  C      -1.448704     -5.733948      6.832826
  C      -1.311220     -4.738022      5.640792
  C       0.168719     -4.719176      5.194099
  C      -1.602562     -3.318068      6.117993
  H      -1.257408      1.367207      1.218397
  H      -2.223291      0.086670      0.276267
  H      -1.361705     -0.273435      4.366379
  H      -0.445497      0.928279      3.421955
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  H      -2.022671     -2.285066      1.177982
  H      -4.453203     -0.197070      1.579105
  H      -5.641935     -1.510353      1.703106
  H      -4.355381     -1.567892      0.472188
  H      -4.996030     -1.301350      4.167424
  H      -3.341355     -1.673733      4.693750
  H      -3.661367     -0.212779      3.752618
  H      -6.596554     -6.669765      6.367880
  H      -7.215306     -5.676604      7.814580
  H     -10.236872     -4.848020      6.443419
  H      -9.283839     -3.492739      5.851985
  H      -9.027211     -4.098084      7.511486
  H      -8.202235     -6.811601      4.362846
  H      -9.289941     -5.452672      4.109112
  H      -7.794778     -6.284634      1.817136
  H      -7.065773     -4.710262      1.394240
  H      -8.731768     -4.795912      1.989380
  H      -8.184241     -3.065057      3.482630
  H      -7.135453     -3.290470      4.898916
  H      -6.421577     -3.024410      3.296079
  H      -4.212953     -5.426891      8.948492
  H      -2.526267     -4.647678      9.105291
  H      -4.032068     -6.288291      5.693096
  H      -3.315000     -7.735276      6.372437
  H      -4.706110     -6.969127      7.210465
  H      -0.761175     -5.368163      7.608946
  H      -1.073562     -6.720487      6.513584
  H       0.586698     -5.715815      5.014248
  H       0.768176     -4.250711      5.985015
  H       0.287682     -4.115497      4.284487
  H      -2.632667     -3.158530      6.427668
  H      -0.972209     -3.105612      6.991325
  H      -1.351185     -2.591302      5.335518
  N      -4.585726     -3.568879      5.418522
  N      -4.999418     -2.795492      6.274146
  H      -5.250250     -3.239819      7.179364
86
Coordinates from ORCA-job orca E -5475.989615556955
  N      -4.013996     -3.427088      2.584199
  C      -3.962899     -4.043917      1.250745
  C      -3.124909     -5.299729      1.276813
  N      -3.606965     -6.125246      2.397786
  C      -4.830810     -6.900318      2.045563
  C      -5.720259     -6.966034      3.284364
  N      -5.918829     -5.597916      3.754033
  Mo     -4.127876     -4.717965      4.072664
  N      -2.223403     -5.169463      4.513095
  C      -1.575409     -6.232699      3.735681
  C      -2.579273     -7.033117      2.945385
  H      -1.036206     -6.927264      4.399832
  H      -0.813173     -5.795524      3.065965
  H      -3.098219     -7.744317      3.603083
  H      -2.102123     -7.604994      2.131243
  H      -6.668055     -7.474013      3.056736
  H      -5.234227     -7.559137      4.076499
  H      -5.354748     -6.370502      1.242984
  H      -4.552756     -7.901068      1.674849
  H      -3.522762     -3.356039      0.518741
  H      -4.985515     -4.256006      0.897689
  H      -2.075054     -5.044722      1.465934
  H      -3.182853     -5.865130      0.331583
  C      -1.664753      0.342533      1.145864
  C      -1.552986     -0.485642      2.192497
  C      -0.770304     -0.108995      3.417198
  C      -2.161767     -1.871816      2.172094
  C      -3.681823     -1.966520      2.545285
  C      -4.568759     -1.273252      1.491303
  C      -3.928402     -1.256347      3.862403
  C      -7.256172     -6.030455      6.730049
  C      -8.172596     -5.423050      5.968062
  C      -9.162924     -4.444459      6.528793
  C      -8.287289     -5.733559      4.494138
  C      -7.268288     -4.999132      3.552284
  C      -7.752724     -5.183461      2.103780
  C      -7.235127     -3.509736      3.870724
  C      -3.247687     -5.258142      8.546036
  C      -2.863058     -5.878434      7.421653
  C      -3.806804     -6.777347      6.682728
  C      -1.481656     -5.716944      6.845550
  C      -1.341274     -4.726561      5.652913
  C       0.140594     -4.706842      5.209609
  C      -1.631837     -3.304748      6.121321
  H      -1.224360      1.339515      1.165379
  H      -2.189054      0.047839      0.237038
  H      -1.358903     -0.241185      4.336094
  H      -0.421601      0.929837      3.375540
  H       0.110111     -0.763691      3.521511
  H      -1.627142     -2.518204      2.885213
  H      -2.013627     -2.304442      1.173000
  H      -4.422172     -0.188601      1.555931
  H      -5.626916     -1.483677      1.692820
  H      -4.342229     -1.568131      0.461126
  H      -4.980816     -1.298251      4.161073
  H      -3.318363     -1.646677      4.676777
  H      -3.661506     -0.200943      3.724508
  H      -6.587587     -6.777373      6.307747
  H      -7.158322     -5.817856      7.795833
  H     -10.179595     -4.866788      6.488079
  H      -9.196182     -3.516589      5.939761
  H      -8.941870     -4.190032      7.572616
  H      -8.210620     -6.817325      4.328557
  H      -9.287969     -5.443561      4.138022
  H      -7.819308     -6.234774      1.799546
  H      -7.103316     -4.647776      1.400611
  H      -8.759474     -4.754873      2.016997
  H      -8.192261     -3.058110      3.577991
  H      -7.075892     -3.318471      4.935950
  H      -6.441384     -3.009217      3.307683
  H      -4.251813     -5.400263      8.948669
  H      -2.569378     -4.610326      9.100799
  H      -4.062536     -6.303069      5.706253
  H      -3.338282     -7.734845      6.408897
  H      -4.734658     -6.960544      7.230517
  H      -0.798811     -5.347109      7.624406
  H      -1.100859     -6.703529      6.534263
  H       0.562633     -5.701858      5.032849
  H       0.737144     -4.236355      6.001366
  H       0.260833     -4.102255      4.301068
  H      -2.652983     -3.145210      6.461639
  H      -0.978348     -3.082271      6.975157
  H      -1.402607     -2.583488      5.328324
  N      -4.592052     -3.571129      5.409776
  N      -5.015630     -2.802866      6.264250
  H      -5.278737     -3.261686      7.149783
86
Coordinates from ORCA-job orca E -5475.993238592224
  N      -4.018655     -3.405662      2.588015
  C      -3.949500     -4.023159      1.257686
  C      -3.115198     -5.282362      1.279309
  N      -3.613601     -6.118774      2.380331
  C      -4.832557     -6.888995      2.005536
  C      -5.722451     -6.957114      3.242485
  N      -5.915622     -5.592357      3.725889
  Mo     -4.150703     -4.699404      4.075232
  N      -2.261139     -5.183174      4.538085
  C      -1.609097     -6.246353      3.760887
  C      -2.603960     -7.033647      2.943325
  H      -1.085669     -6.949322      4.429163
  H      -0.834672     -5.809154      3.105950
  H      -3.141735     -7.745773      3.586716
  H      -2.112943     -7.603775      2.136739
  H      -6.673090     -7.456907      3.014285
  H      -5.235756     -7.559015      4.029916
  H      -5.351646     -6.354827      1.202352
  H      -4.552502     -7.888949      1.630139
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  H      -2.066059     -5.032710      1.480970
  H      -3.165335     -5.837693      0.327684
  C      -1.647662      0.330265      1.067499
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  C      -2.157019     -1.858806      2.143949
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  C      -4.560904     -1.253482      1.459871
  C      -3.916556     -1.202691      3.823885
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  C      -8.138662     -5.490858      5.957964
  C      -9.099679     -4.518588      6.577517
  C      -8.282144     -5.743147      4.477695
  C      -7.265275     -4.985903      3.548783
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  C      -7.207008     -3.512793      3.917789
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  C      -1.517368     -5.722502      6.882419
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  C       0.107540     -4.717712      5.249784
  C      -1.669232     -3.315446      6.146174
  H      -1.202238      1.325543      1.063810
  H      -2.174921      0.016980      0.166113
  H      -1.341516     -0.176427      4.269746
  H      -0.395414      0.961054      3.278567
  H       0.122734     -0.732651      3.468989
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  H      -2.014979     -2.310776      1.152443
  H      -4.406968     -0.168608      1.501538
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  H      -4.339058     -1.568295      0.434946
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  H      -3.299476     -1.571896      4.642352
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  H      -8.857438     -4.315412      7.628301
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  H      -9.286987     -5.431417      4.148854
  H      -7.836607     -6.160546      1.766089
  H      -7.113609     -4.565196      1.409394
  H      -8.766668     -4.683005      2.030884
  H      -8.165649     -3.040590      3.662942
  H      -7.020558     -3.361874      4.985872
  H      -6.420849     -3.003686      3.352051
  H      -4.267084     -5.374197      9.005089
  H      -2.587295     -4.569985      9.117563
  H      -4.104478     -6.364073      5.785093
  H      -3.364351     -7.768376      6.524441
  H      -4.760472     -6.974630      7.329630
  H      -0.834192     -5.344251      7.658211
  H      -1.131180     -6.710430      6.582712
  H       0.536729     -5.710216      5.077699
  H       0.697731     -4.244196      6.044727
  H       0.230756     -4.111215      4.342703
  H      -2.687088     -3.151006      6.502626
  H      -1.004505     -3.091790      6.991798
  H      -1.445068     -2.596266      5.350657
  N      -4.584875     -3.567692      5.422458
  N      -5.006042     -2.805024      6.274107
  H      -5.256998     -3.285355      7.134135
86
Coordinates from ORCA-job orca E -5475.994698175554
  N      -4.004581     -3.404187      2.581070
  C      -3.969521     -4.037409      1.249110
  C      -3.149121     -5.308517      1.273957
  N      -3.628792     -6.134480      2.399508
  C      -4.856728     -6.907443      2.063355
  C      -5.722508     -6.959970      3.313961
  N      -5.907908     -5.584557      3.777211
  Mo     -4.117311     -4.700018      4.070469
  N      -2.216201     -5.186351      4.498299
  C      -1.583962     -6.257181      3.721104
  C      -2.601074     -7.048815      2.944569
  H      -1.047094     -6.958228      4.380316
  H      -0.825364     -5.832221      3.042560
  H      -3.115965     -7.751670      3.612312
  H      -2.131419     -7.631922      2.134670
  H      -6.676073     -7.463957      3.099110
  H      -5.230108     -7.558699      4.099031
  H      -5.392715     -6.378848      1.266218
  H      -4.589663     -7.910689      1.694534
  H      -3.530195     -3.366599      0.504262
  H      -4.998343     -4.245579      0.907818
  H      -2.095119     -5.061172      1.454145
  H      -3.219602     -5.870926      0.328262
  C      -1.622314      0.376595      1.186672
  C      -1.538319     -0.461092      2.232019
  C      -0.783843     -0.099639      3.478617
  C      -2.147527     -1.843520      2.191496
  C      -3.671701     -1.941590      2.539292
  C      -4.551894     -1.240309      1.484242
  C      -3.934819     -1.246426      3.864845
  C      -7.334503     -6.023905      6.756850
  C      -8.221017     -5.427723      5.961997
  C      -9.221441     -4.449309      6.482509
  C      -8.294621     -5.751669      4.494430
  C      -7.267735     -5.013806      3.564453
  C      -7.722519     -5.237822      2.115640
  C      -7.289568     -3.518962      3.841547
  C      -3.196898     -5.203841      8.537021
  C      -2.827680     -5.853038      7.420761
  C      -3.781452     -6.768548      6.704285
  C      -1.448089     -5.710048      6.830863
  C      -1.316188     -4.737221      5.619264
  C       0.160596     -4.737871      5.156484
  C      -1.594049     -3.303034      6.071939
  H      -1.178696      1.371756      1.220605
  H      -2.125826      0.092902      0.262443
  H      -1.397664     -0.233005      4.382397
  H      -0.427717      0.937920      3.447391
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  H      -1.981600     -2.267876      1.192409
  H      -4.403861     -0.156152      1.554624
  H      -5.612127     -1.451681      1.680034
  H      -4.321854     -1.532156      0.452832
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  H      -3.325885     -1.649156      4.680215
  H      -3.677367     -0.188841      3.746610
  H      -6.656747     -6.772810      6.371540
  H      -7.274409     -5.802144      7.817057
  H     -10.240027     -4.873874      6.411945
  H      -9.227642     -3.524072      5.888876
  H      -9.032004     -4.193171      7.529772
  H      -8.195785     -6.832670      4.343243
  H      -9.289606     -5.484550      4.117073
  H      -7.757299     -6.297287      1.832845
  H      -7.066318     -4.699896      1.416423
  H      -8.738077     -4.837509      1.999729
  H      -8.263629     -3.109992      3.533408
  H      -7.150714     -3.304545      4.899796
  H      -6.500895     -2.998380      3.265331
  H      -4.196893     -5.330882      8.958744
  H      -2.507163     -4.544586      9.070690
  H      -4.049336     -6.311238      5.721970
  H      -3.314062     -7.733731      6.453816
  H      -4.704727     -6.940220      7.266538
  H      -0.754391     -5.335788      7.599398
  H      -1.078870     -6.704349      6.527455
  H       0.567515     -5.742029      4.985459
  H       0.772846     -4.264508      5.937123
  H       0.275097     -4.145567      4.237065
  H      -2.616952     -3.147964      6.438121
  H      -0.914149     -3.059063      6.911290
  H      -1.385947     -2.595736      5.250477
  N      -4.569178     -3.566677      5.429999
  N      -4.967723     -2.803221      6.296671
  H      -5.224888     -3.276151      7.190738
86
Coordinates from ORCA-job orca E -5475.997838564336
  N      -3.997898     -3.393477      2.560044
  C      -3.946215     -4.039167      1.237061
  C      -3.132663     -5.314008      1.274022
  N      -3.635484     -6.140433      2.386980
  C      -4.860327     -6.904432      2.035102
  C      -5.729655     -6.945459      3.277878
  N      -5.902401     -5.569779      3.735710
  Mo     -4.129787     -4.683079      4.047319
  N      -2.248771     -5.199373      4.515396
  C      -1.614728     -6.273834      3.751480
  C      -2.626717     -7.057008      2.959832
  H      -1.094576     -6.978712      4.421434
  H      -0.840957     -5.856894      3.083229
  H      -3.161778     -7.751063      3.623469
  H      -2.143705     -7.651439      2.164673
  H      -6.688093     -7.439839      3.063126
  H      -5.245376     -7.548916      4.064661
  H      -5.387916     -6.374831      1.232440
  H      -4.594487     -7.909922      1.670885
  H      -3.500854     -3.372782      0.491527
  H      -4.972409     -4.250984      0.887083
  H      -2.078846     -5.073198      1.468524
  H      -3.193604     -5.872298      0.324511
  C      -1.597029      0.372035      1.148466
  C      -1.524317     -0.451560      2.206805
  C      -0.782493     -0.071274      3.457868
  C      -2.133822     -1.835658      2.176482
  C      -3.659470     -1.933067      2.513499
  C      -4.529523     -1.236953      1.445759
  C      -3.940369     -1.232947      3.835155
  C      -7.277725     -6.185716      6.714596
  C      -8.167711     -5.501076      5.969711
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  C      -8.285882     -5.744942      4.477551
  C      -7.265262     -4.988592      3.556467
  C      -7.732884     -5.165401      2.099646
  C      -7.269416     -3.497907      3.883766
  C      -3.231520     -5.145807      8.546872
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  C      -3.817080     -6.767196      6.757068
  C      -1.487631     -5.694301      6.852811
  C      -1.349757     -4.735725      5.632211
  C       0.128220     -4.742680      5.177217
  C      -1.625777     -3.296320      6.067668
  H      -1.153041      1.369001      1.173069
  H      -2.091417      0.074209      0.221499
  H      -1.407232     -0.185590      4.357976
  H      -0.420600      0.964560      3.413187
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  H      -6.629470     -6.943842      6.263123
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  H      -8.906734     -4.329255      7.646159
  H      -8.210901     -6.826511      4.267314
  H      -9.287282     -5.436977      4.132540
  H      -7.773906     -6.218441      1.785078
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  H      -8.747492     -4.756742      1.999816
  H      -8.249916     -3.070839      3.620838
  H      -7.092269     -3.314991      4.947787
  H      -6.500897     -2.970958      3.297758
  H      -4.228191     -5.265451      8.978275
  H      -2.540786     -4.469663      9.059791
  H      -4.090879     -6.344999      5.763235
  H      -3.347629     -7.742825      6.545171
  H      -4.740198     -6.919352      7.327486
  H      -0.794627     -5.314392      7.619237
  H      -1.118672     -6.693194      6.562793
  H       0.534647     -5.748934      5.016704
  H       0.736012     -4.264684      5.957540
  H       0.249281     -4.155800      4.255152
  H      -2.633639     -3.139753      6.450135
  H      -0.935438     -3.041074      6.887028
  H      -1.431928     -2.599256      5.238312
  N      -4.585405     -3.572215      5.411700
  N      -4.994847     -2.814859      6.278483
  H      -5.272944     -3.306297      7.157617
86
Coordinates from ORCA-job orca E -5475.996081693218
  N      -4.004332     -3.388897      2.590023
  C      -3.942343     -4.025129      1.268143
  C      -3.123272     -5.299652      1.282429
  N      -3.624772     -6.152468      2.373564
  C      -4.838724     -6.920982      2.008204
  C      -5.702849     -6.974711      3.255377
  N      -5.871120     -5.604298      3.726264
  Mo     -4.126275     -4.699780      4.053270
  N      -2.259418     -5.235796      4.540223
  C      -1.617012     -6.293787      3.758395
  C      -2.620816     -7.067249      2.938484
  H      -1.104500     -7.012775      4.418847
  H      -0.833400     -5.862719      3.105183
  H      -3.162092     -7.775476      3.585324
  H      -2.127334     -7.647137      2.138428
  H      -6.660101     -7.466023      3.042837
  H      -5.214670     -7.586548      4.033286
  H      -5.370423     -6.387665      1.212688
  H      -4.565477     -7.922679      1.630579
  H      -3.499566     -3.339190      0.531049
  H      -4.965624     -4.242029      0.914306
  H      -2.070954     -5.058156      1.482195
  H      -3.180579     -5.837095      0.320242
  C      -1.728428      0.405758      1.093349
  C      -1.602530     -0.394907      2.157509
  C      -0.829918      0.032790      3.379774
  C      -2.182739     -1.795209      2.158637
  C      -3.697149     -1.923659      2.523821
  C      -4.589480     -1.268210      1.448611
  C      -3.987170     -1.203297      3.832866
  C      -7.204828     -6.038390      6.683015
  C      -8.104157     -5.380502      5.940017
  C      -9.034699     -4.350097      6.516189
  C      -8.250999     -5.688696      4.478399
  C      -7.217143     -4.994089      3.542682
  C      -7.708087     -5.157542      2.085086
  C      -7.131998     -3.507661      3.861672
  C      -3.235749     -5.257035      8.590282
  C      -2.874400     -5.926422      7.486474
  C      -3.818776     -6.870876      6.814449
  C      -1.501826     -5.774450      6.882540
  C      -1.368861     -4.793875      5.676652
  C       0.114130     -4.777784      5.241531
  C      -1.661329     -3.370631      6.140321
  H      -1.308696      1.414455      1.092407
  H      -2.248055      0.077774      0.186521
  H      -1.417935     -0.081919      4.298896
  H      -0.497804      1.073827      3.312375
  H       0.054601     -0.597715      3.504036
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  H      -2.026657     -2.240559      1.162109
  H      -4.460433     -0.179906      1.482009
  H      -5.644378     -1.493283      1.652169
  H      -4.352786     -1.589152      0.425439
  H      -5.044685     -1.289650      4.115473
  H      -3.369778     -1.562753      4.658032
  H      -3.765026     -0.133615      3.689159
  H      -6.570449     -6.818445      6.251146
  H      -7.084534     -5.834838      7.745178
  H     -10.070043     -4.707180      6.492958
  H      -9.027100     -3.431734      5.941349
  H      -8.786051     -4.114395      7.545171
  H      -8.204473     -6.768351      4.316247
  H      -9.250801     -5.376678      4.129895
  H      -7.801515     -6.204388      1.777032
  H      -7.038438     -4.642311      1.392648
  H      -8.701544     -4.706226      1.982404
  H      -8.076003     -3.042324      3.601829
  H      -6.928642     -3.315149      4.918258
  H      -6.357171     -3.043096      3.287091
  H      -4.225344     -5.390342      9.034039
  H      -2.548964     -4.581132      9.095253
  H      -4.103863     -6.468659      5.831148
  H      -3.341377     -7.842658      6.614089
  H      -4.735212     -7.023552      7.395404
  H      -0.813789     -5.398412      7.653606
  H      -1.118428     -6.764467      6.581498
  H       0.534600     -5.774933      5.064088
  H       0.704742     -4.313263      6.039241
  H       0.241896     -4.167142      4.335854
  H      -2.655796     -3.221594      6.514988
  H      -0.986596     -3.139582      6.956120
  H      -1.469034     -2.656388      5.342825
  N      -4.602835     -3.646025      5.447965
  N      -5.041315     -2.922029      6.319117
  H      -5.377199     -3.450191      7.123968
86
Coordinates from ORCA-job orca E -5476.000257143727
  N      -3.992145     -3.375574      2.563432
  C      -3.927097     -4.025450      1.247557
  C      -3.120264     -5.307516      1.279670
  N      -3.637922     -6.151886      2.370775
  C      -4.856724     -6.912018      2.010615
  C      -5.717331     -6.952846      3.260828
  N      -5.877560     -5.577603      3.713971
  Mo     -4.126073     -4.678700      4.028363
  N      -2.269434     -5.231955      4.525265
  C      -1.634771     -6.299383      3.756172
  C      -2.644507     -7.071174      2.950271
  H      -1.124720     -7.015221      4.422091
  H      -0.852245     -5.881703      3.096862
  H      -3.191792     -7.763957      3.606356
  H      -2.155055     -7.667698      2.160848
  H      -6.679791     -7.439800      3.054400
  H      -5.232419     -7.561990      4.042970
  H      -5.387444     -6.380299      1.212462
  H      -4.589373     -7.916622      1.640154
  H      -3.476194     -3.355663      0.503686
  H      -4.950519     -4.238182      0.891119
  H      -2.067172     -5.075708      1.487494
  H      -3.174797     -5.846908      0.318712
  C      -1.623358      0.403655      1.144417
  C      -1.543570     -0.414123      2.201726
  C      -0.805242     -0.019524      3.451312
  C      -2.142403     -1.804124      2.173296
  C      -3.664020     -1.915850      2.514242
  C      -4.537144     -1.226803      1.445633
  C      -3.958326     -1.220576      3.835224
  C      -7.251903     -6.094867      6.722970
  C      -8.129678     -5.444182      5.964585
  C      -9.073525     -4.430286      6.531924
  C      -8.258781     -5.737598      4.497893
  C      -7.247605     -5.004735      3.556572
  C      -7.730378     -5.198976      2.105782
  C      -7.245075     -3.513725      3.859597
  C      -3.217825     -5.177927      8.559013
  C      -2.861505     -5.865968      7.463799
  C      -3.809967     -6.827599      6.808327
  C      -1.489226     -5.725348      6.853525
  C      -1.367069     -4.761251      5.634996
  C       0.110100     -4.753336      5.175972
  C      -1.655448     -3.328231      6.077971
  H      -1.189304      1.404219      1.168525
  H      -2.115972      0.098505      0.219464
  H      -1.430994     -0.128431      4.348180
  H      -0.446834      1.015500      3.401918
  H       0.064797     -0.677584      3.601440
  H      -1.614112     -2.444503      2.896790
  H      -1.973312     -2.238023      1.176533
  H      -4.386397     -0.142103      1.496407
  H      -5.598951     -1.433480      1.639737
  H      -4.300636     -1.537545      0.420800
  H      -5.015386     -1.314325      4.112006
  H      -3.341801     -1.596474      4.653712
  H      -3.739508     -0.151501      3.714822
  H      -6.610095     -6.865026      6.310692
  H      -7.161466     -5.893387      7.783912
  H     -10.108279     -4.795366      6.471435
  H      -9.049023     -3.496624      5.970258
  H      -8.853941     -4.213612      7.575496
  H      -8.190350     -6.814797      4.319192
  H      -9.263217     -5.440870      4.158521
  H      -7.775003     -6.253010      1.807179
  H      -7.080883     -4.656116      1.407134
  H      -8.745819     -4.792527      2.004432
  H      -8.236278     -3.104538      3.629810
  H      -7.026560     -3.310171      4.908512
  H      -6.506717     -2.993062      3.239683
  H      -4.205291     -5.303896      9.010110
  H      -2.528026     -4.490896      9.050670
  H      -4.106129     -6.440947      5.814527
  H      -3.332361     -7.803015      6.626571
  H      -4.721255     -6.972438      7.398425
  H      -0.792683     -5.345206      7.616372
  H      -1.113275     -6.719447      6.557807
  H       0.524915     -5.754268      5.006144
  H       0.714886     -4.278656      5.959157
  H       0.225529     -4.155880      4.259648
  H      -2.649473     -3.183630      6.500503
  H      -0.938359     -3.067655      6.867325
  H      -1.502094     -2.629187      5.247360
  N      -4.588743     -3.618237      5.427188
  N      -5.014514     -2.886688      6.303008
  H      -5.342194     -3.407155      7.128906
86
Coordinates from ORCA-job orca E -5476.001944665930
  N      -3.967368     -3.383240      2.551458
  C      -3.896978     -4.046075      1.237636
  C      -3.102873     -5.337082      1.286930
  N      -3.636838     -6.174101      2.380780
  C      -4.865154     -6.921348      2.019172
  C      -5.733668     -6.950174      3.266111
  N      -5.876278     -5.570394      3.718988
  Mo     -4.108936     -4.684165      4.017586
  N      -2.256789     -5.251815      4.521088
  C      -1.630469     -6.330458      3.760753
  C      -2.649132     -7.100857      2.966441
  H      -1.123628     -7.045295      4.430618
  H      -0.846649     -5.926677      3.095863
  H      -3.199386     -7.781764      3.631450
  H      -2.166913     -7.710038      2.182529
  H      -6.702047     -7.424462      3.053949
  H      -5.263135     -7.568947      4.049349
  H      -5.386957     -6.383524      1.217883
  H      -4.609580     -7.928461      1.650681
  H      -3.432207     -3.391610      0.489107
  H      -4.920007     -4.252365      0.874525
  H      -2.049464     -5.113658      1.504342
  H      -3.152768     -5.878184      0.326490
  C      -1.640628      0.432395      1.169421
  C      -1.572007     -0.384811      2.231591
  C      -0.874516      0.020291      3.500709
  C      -2.141980     -1.784034      2.192590
  C      -3.665343     -1.922165      2.502305
  C      -4.528703     -1.253469      1.413329
  C      -4.000044     -1.233095      3.818515
  C      -7.270004     -6.125740      6.734075
  C      -8.126575     -5.432529      5.973383
  C      -9.039861     -4.391269      6.554714
  C      -8.264682     -5.704317      4.494464
  C      -7.242948     -4.986946      3.555836
  C      -7.721795     -5.178554      2.101710
  C      -7.233224     -3.489299      3.846407
  C      -3.207603     -5.167822      8.545032
  C      -2.848502     -5.861510      7.454720
  C      -3.796368     -6.824042      6.797585
  C      -1.474145     -5.725947      6.848374
  C      -1.351819     -4.771181      5.620962
  C       0.123091     -4.769936      5.157103
  C      -1.642507     -3.333706      6.052877
  H      -1.226295      1.439932      1.202024
  H      -2.104377      0.120427      0.231652
  H      -1.520812     -0.099965      4.382499
  H      -0.533980      1.061026      3.457433
  H       0.003853     -0.625037      3.673737
  H      -1.617601     -2.415130      2.928495
  H      -1.945580     -2.215000      1.199913
  H      -4.393985     -0.165903      1.458875
  H      -5.588906     -1.475685      1.591201
  H      -4.270987     -1.568867      0.394839
  H      -5.058852     -1.349689      4.069188
  H      -3.393497     -1.604504      4.651946
  H      -3.801516     -0.159080      3.706722
  H      -6.652644     -6.917191      6.315955
  H      -7.176518     -5.939127      7.804309
  H     -10.090433     -4.725208      6.470863
  H      -8.979722     -3.435380      6.010418
  H      -8.817705     -4.205693      7.614817
  H      -8.216091     -6.786604      4.302139
  H      -9.262017     -5.380111      4.156955
  H      -7.780786     -6.232885      1.804197
  H      -7.059428     -4.648927      1.405212
  H      -8.729507     -4.756228      1.994394
  H      -8.221873     -3.075567      3.605758
  H      -7.019745     -3.274838      4.896253
  H      -6.486987     -2.979751      3.223629
  H      -4.196602     -5.286883      8.993524
  H      -2.518110     -4.479932      9.036637
  H      -4.092848     -6.439751      5.799733
  H      -3.318637     -7.800034      6.621456
  H      -4.706312     -6.968148      7.388653
  H      -0.776670     -5.342823      7.608614
  H      -1.102202     -6.722688      6.556191
  H       0.530941     -5.774245      4.989033
  H       0.732826     -4.294970      5.936928
  H       0.238400     -4.177963      4.237096
  H      -2.638171     -3.196786      6.486484
  H      -0.914753     -3.055398      6.832667
  H      -1.506824     -2.643596      5.206998
  N      -4.588175     -3.632641      5.425461
  N      -5.018448     -2.912529      6.309888
  H      -5.333439     -3.435531      7.150946
86
Coordinates from ORCA-job orca E -5476.002671298291
  N      -3.954444     -3.377414      2.537264
  C      -3.875373     -4.049140      1.225248
  C      -3.091277     -5.347894      1.288293
  N      -3.636631     -6.182719      2.381716
  C      -4.867137     -6.924711      2.013468
  C      -5.742452     -6.948869      3.255879
  N      -5.878624     -5.567271      3.710687
  Mo     -4.106054     -4.678019      4.001060
  N      -2.260088     -5.254121      4.521665
  C      -1.631899     -6.337753      3.768092
  C      -2.651203     -7.110663      2.974235
  H      -1.127883     -7.050732      4.442663
  H      -0.844100     -5.939791      3.103932
  H      -3.204515     -7.786316      3.642130
  H      -2.168396     -7.725524      2.194695
  H      -6.711895     -7.418628      3.039689
  H      -5.278921     -7.571744      4.039681
  H      -5.382197     -6.384003      1.209371
  H      -4.614673     -7.932656      1.645941
  H      -3.393802     -3.405733      0.477768
  H      -4.896469     -4.247288      0.851344
  H      -2.038592     -5.130179      1.515287
  H      -3.134800     -5.888746      0.327303
  C      -1.630388      0.454956      1.181296
  C      -1.558782     -0.378913      2.227987
  C      -0.847842      0.002912      3.496510
  C      -2.135554     -1.775897      2.170086
  C      -3.659624     -1.916212      2.489519
  C      -4.529969     -1.245915      1.408934
  C      -3.986908     -1.236623      3.815452
  C      -7.224419     -6.103464      6.732674
  C      -8.111006     -5.433424      5.985939
  C      -9.047845     -4.418895      6.588051
  C      -8.257005     -5.707346      4.504677
  C      -7.247679     -4.982759      3.553944
  C      -7.740645     -5.170406      2.102037
  C      -7.244478     -3.480519      3.842321
  C      -3.225778     -5.157862      8.539857
  C      -2.860229     -5.854830      7.454042
  C      -3.801505     -6.823055      6.795580
  C      -1.484596     -5.715653      6.853056
  C      -1.361255     -4.764849      5.621399
  C       0.114153     -4.756941      5.164355
  C      -1.667365     -3.328196      6.046339
  H      -1.209037      1.460544      1.227159
  H      -2.103172      0.160276      0.243375
  H      -1.489945     -0.127666      4.380534
  H      -0.499712      1.043652      3.467859
  H       0.028846     -0.649719      3.650561
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  H      -1.949818     -2.193029      1.169394
  H      -4.389478     -0.157936      1.455214
  H      -5.591992     -1.466236      1.595698
  H      -4.281373     -1.563737      0.387200
  H      -5.048424     -1.351556      4.067594
  H      -3.384299     -1.622539      4.642650
  H      -3.780524     -0.163490      3.716774
  H      -6.586685     -6.876661      6.300198
  H      -7.124464     -5.916430      7.805959
  H     -10.084358     -4.782848      6.524770
  H      -9.026198     -3.461329      6.042599
  H      -8.817700     -4.226984      7.646075
  H      -8.190633     -6.790582      4.316406
  H      -9.261193     -5.396603      4.173636
  H      -7.805491     -6.225004      1.801517
  H      -7.081276     -4.641333      1.398691
  H      -8.748973     -4.742515      2.005547
  H      -8.240098     -3.068202      3.605668
  H      -7.026397     -3.262312      4.894467
  H      -6.501384     -2.969289      3.209226
  H      -4.215301     -5.277304      8.986215
  H      -2.540472     -4.464583      9.030774
  H      -4.097676     -6.444460      5.794895
  H      -3.318845     -7.798354      6.627044
  H      -4.711482     -6.969185      7.385934
  H      -0.790614     -5.327796      7.613463
  H      -1.109910     -6.712405      6.563753
  H       0.524526     -5.760304      4.996474
  H       0.718934     -4.281142      5.947045
  H       0.231740     -4.164657      4.244943
  H      -2.664152     -3.203468      6.470825
  H      -0.948726     -3.038364      6.826806
  H      -1.537590     -2.639978      5.198058
  N      -4.608992     -3.648987      5.414381
  N      -5.049163     -2.947483      6.308911
  H      -5.334368     -3.478088      7.163001
86
Coordinates from ORCA-job orca E -5476.003311395832
  N      -3.936373     -3.381091      2.539633
  C      -3.854766     -4.058111      1.230046
  C      -3.084458     -5.365745      1.299925
  N      -3.638008     -6.197906      2.392506
  C      -4.872943     -6.929757      2.022394
  C      -5.748857     -6.946895      3.264105
  N      -5.875257     -5.563688      3.718322
  Mo     -4.095422     -4.681062      4.000103
  N      -2.256124     -5.274067      4.526212
  C      -1.633735     -6.362732      3.774976
  C      -2.658688     -7.132089      2.984892
  H      -1.131781     -7.075769      4.451160
  H      -0.844706     -5.970941      3.109037
  H      -3.215915     -7.802107      3.655355
  H      -2.181948     -7.751501      2.205625
  H      -6.721240     -7.409671      3.047883
  H      -5.289986     -7.572061      4.048737
  H      -5.382473     -6.384762      1.217903
  H      -4.627464     -7.939370      1.655130
  H      -3.358886     -3.422707      0.484978
  H      -4.875216     -4.244273      0.849421
  H      -2.031067     -5.158171      1.531072
  H      -3.128840     -5.904893      0.338535
  C      -1.670067      0.488337      1.185627
  C      -1.586651     -0.349045      2.228091
  C      -0.880165      0.036512      3.498257
  C      -2.145146     -1.753029      2.163174
  C      -3.666178     -1.916324      2.487645
  C      -4.548653     -1.262310      1.407503
  C      -3.999037     -1.241284      3.814575
  C      -7.231321     -6.081485      6.723618
  C      -8.116715     -5.410015      5.973376
  C      -9.055351     -4.395029      6.572877
  C      -8.255565     -5.685859      4.490790
  C      -7.236771     -4.967856      3.546094
  C      -7.721349     -5.154880      2.091269
  C      -7.223841     -3.463191      3.826065
  C      -3.205498     -5.163859      8.547709
  C      -2.845840     -5.865391      7.462083
  C      -3.791696     -6.836024      6.811501
  C      -1.472429     -5.728412      6.855132
  C      -1.352910     -4.781161      5.620164
  C       0.120179     -4.775937      5.156233
  C      -1.657947     -3.343103      6.042089
  H      -1.262058      1.499118      1.236413
  H      -2.139784      0.191788      0.246481
  H      -1.520511     -0.105278      4.381767
  H      -0.544739      1.081382      3.474255
  H       0.004095     -0.605543      3.649484
  H      -1.604044     -2.393633      2.876764
  H      -1.959928     -2.161704      1.159108
  H      -4.420791     -0.173112      1.449271
  H      -5.607263     -1.494859      1.597618
  H      -4.299126     -1.582074      0.386749
  H      -5.060991     -1.363767      4.064521
  H      -3.397966     -1.627851      4.641868
  H      -3.796550     -0.167119      3.720049
  H      -6.593124     -6.856636      6.291672
  H      -7.134144     -5.894994      7.799447
  H     -10.092353     -4.759153      6.503413
  H      -9.028924     -3.434057      6.028609
  H      -8.830573     -4.205766      7.634656
  H      -8.189347     -6.770991      4.308652
  H      -9.256026     -5.375080      4.151215
  H      -7.800784     -6.209263      1.792353
  H      -7.049335     -4.637873      1.391238
  H      -8.721370     -4.711991      1.986941
  H      -8.204097     -3.044847      3.562517
  H      -7.031328     -3.237299      4.877294
  H      -6.463783     -2.962919      3.212001
  H      -4.192732     -5.280694      9.000509
  H      -2.516802     -4.468054      9.032220
  H      -4.092532     -6.463954      5.809567
  H      -3.310636     -7.813252      6.646757
  H      -4.698485     -6.978852      7.409199
  H      -0.774349     -5.338692      7.611119
  H      -1.100673     -6.726194      6.566395
  H       0.526575     -5.780066      4.984804
  H       0.730524     -4.302783      5.936497
  H       0.234657     -4.183682      4.236614
  H      -2.653304     -3.218853      6.469908
  H      -0.935968     -3.048451      6.817574
  H      -1.534587     -2.658305      5.191195
  N      -4.600733     -3.669063      5.424932
  N      -5.038142     -2.984813      6.333165
  H      -5.303263     -3.523341      7.186531
86
Coordinates from ORCA-job orca E -5476.003858126203
  N      -3.911495     -3.387705      2.538941
  C      -3.821343     -4.066941      1.230948
  C      -3.067005     -5.383742      1.308422
  N      -3.633945     -6.214335      2.396733
  C      -4.873660     -6.933094      2.018706
  C      -5.753640     -6.947812      3.258044
  N      -5.870927     -5.565524      3.718746
  Mo     -4.084007     -4.688500      3.993828
  N      -2.253235     -5.300486      4.530469
  C      -1.635355     -6.394193      3.782142
  C      -2.664062     -7.157289      2.990029
  H      -1.138651     -7.108267      4.461235
  H      -0.841818     -6.008597      3.117587
  H      -3.228669     -7.822581      3.659686
  H      -2.191645     -7.779437      2.210490
  H      -6.728435     -7.402816      3.038252
  H      -5.300030     -7.577927      4.041704
  H      -5.374629     -6.380351      1.214352
  H      -4.635371     -7.943464      1.648463
  H      -3.305250     -3.437839      0.493375
  H      -4.839072     -4.238272      0.837041
  H      -2.013490     -5.187403      1.547818
  H      -3.109336     -5.919846      0.345464
  C      -1.714229      0.523962      1.188622
  C      -1.626374     -0.310314      2.235023
  C      -0.945263      0.090909      3.514379
  C      -2.155003     -1.724862      2.165937
  C      -3.673913     -1.918379      2.480003
  C      -4.559642     -1.290549      1.387257
  C      -4.029764     -1.243177      3.799735
  C      -7.215150     -6.034866      6.724488
  C      -8.104678     -5.371997      5.970133
  C      -9.038803     -4.347642      6.557536
  C      -8.245801     -5.664300      4.492065
  C      -7.225514     -4.955922      3.542269
  C      -7.717553     -5.137535      2.088941
  C      -7.197798     -3.450789      3.822153
  C      -3.197801     -5.183911      8.554359
  C      -2.840811     -5.886728      7.468373
  C      -3.788611     -6.858710      6.822606
  C      -1.468157     -5.750923      6.859577
  C      -1.347835     -4.806660      5.621966
  C       0.123873     -4.807603      5.154874
  C      -1.647365     -3.366067      6.040267
  H      -1.328445      1.542779      1.242122
  H      -2.165658      0.216595      0.243345
  H      -1.593807     -0.061098      4.390560
  H      -0.631137      1.141611      3.491462
  H      -0.050604     -0.533950      3.679749
  H      -1.606142     -2.355973      2.882888
  H      -1.956242     -2.128844      1.162791
  H      -4.452017     -0.199440      1.419247
  H      -5.613994     -1.539345      1.569777
  H      -4.295297     -1.616114      0.373051
  H      -5.092492     -1.374462      4.035662
  H      -3.437464     -1.625521      4.636290
  H      -3.834557     -0.167356      3.706039
  H      -6.580364     -6.816947      6.300481
  H      -7.112812     -5.834423      7.796374
  H     -10.078345     -4.708786      6.496802
  H      -9.010553     -3.395962      6.000886
  H      -8.810035     -4.144709      7.614094
  H      -8.178300     -6.750739      4.324774
  H      -9.246519     -5.358709      4.148624
  H      -7.817649     -6.190294      1.790552
  H      -7.039035     -4.633510      1.385652
  H      -8.709347     -4.675847      1.988173
  H      -8.173623     -3.020468      3.552559
  H      -7.007504     -3.223841      4.876805
  H      -6.430025     -2.961188      3.209676
  H      -4.183569     -5.300337      9.010801
  H      -2.507745     -4.487957      9.036355
  H      -4.091202     -6.492651      5.820366
  H      -3.308282     -7.837251      6.661472
  H      -4.693687     -6.999138      7.424460
  H      -0.768659     -5.359574      7.613364
  H      -1.097964     -6.749591      6.572367
  H       0.524675     -5.813337      4.981301
  H       0.738933     -4.337961      5.933725
  H       0.238448     -4.215997      4.235171
  H      -2.642183     -3.236851      6.465997
  H      -0.925164     -3.070450      6.813998
  H      -1.522673     -2.684606      5.188831
  N      -4.593945     -3.690077      5.427176
  N      -5.027713     -3.022243      6.347124
  H      -5.248445     -3.564237      7.209184
86
Coordinates from ORCA-job orca E -5476.004364584631
  N      -3.894956     -3.388290      2.545819
  C      -3.798954     -4.066448      1.238132
  C      -3.057439     -5.391016      1.319455
  N      -3.632713     -6.223393      2.403092
  C      -4.874895     -6.932968      2.017825
  C      -5.756734     -6.950525      3.256227
  N      -5.870041     -5.570448      3.725313
  Mo     -4.079286     -4.691495      3.992357
  N      -2.256528     -5.318933      4.538356
  C      -1.639576     -6.414520      3.790478
  C      -2.669367     -7.173083      2.994710
  H      -1.145334     -7.128843      4.470813
  H      -0.843329     -6.031060      3.127564
  H      -3.238842     -7.836654      3.661816
  H      -2.199775     -7.794609      2.213108
  H      -6.732418     -7.400907      3.033164
  H      -5.304838     -7.584634      4.037602
  H      -5.370444     -6.373099      1.215580
  H      -4.640480     -7.942939      1.642569
  H      -3.263728     -3.441463      0.509735
  H      -4.813880     -4.222151      0.831743
  H      -2.003967     -5.203196      1.564444
  H      -3.098662     -5.923182      0.354440
  C      -1.756176      0.554315      1.180310
  C      -1.647653     -0.283192      2.221213
  C      -0.954645      0.121126      3.493826
  C      -2.164050     -1.703667      2.150129
  C      -3.679445     -1.914979      2.483044
  C      -4.582139     -1.299912      1.398322
  C      -4.025040     -1.242819      3.807085
  C      -7.232518     -6.020794      6.724475
  C      -8.113504     -5.355536      5.960043
  C      -9.041821     -4.320729      6.532351
  C      -8.246749     -5.655428      4.483364
  C      -7.217867     -4.952669      3.538387
  C      -7.703533     -5.131593      2.083873
  C      -7.179309     -3.448806      3.816726
  C      -3.194325     -5.197444      8.564387
  C      -2.836783     -5.900299      7.478422
  C      -3.782324     -6.879834      6.839761
  C      -1.465211     -5.759686      6.867390
  C      -1.348868     -4.819648      5.625817
  C       0.121421     -4.819997      5.154648
  C      -1.648027     -3.377387      6.038658
  H      -1.379658      1.577744      1.234442
  H      -2.216095      0.245156      0.239280
  H      -1.591335     -0.040620      4.377151
  H      -0.651005      1.175706      3.472926
  H      -0.052401     -0.493999      3.645078
  H      -1.599443     -2.333789      2.855450
  H      -1.975580     -2.100315      1.141482
  H      -4.478585     -0.207524      1.422506
  H      -5.634933     -1.551861      1.593670
  H      -4.326254     -1.632883      0.383509
  H      -5.087134     -1.374915      4.052071
  H      -3.428285     -1.628387      4.638485
  H      -3.827113     -0.167340      3.714928
  H      -6.604717     -6.812266      6.311288
  H      -7.133912     -5.814137      7.794868
  H     -10.086086     -4.674315      6.466568
  H      -9.000282     -3.373122      5.969366
  H      -8.817450     -4.112589      7.588778
  H      -8.180107     -6.743171      4.325251
  H      -9.244716     -5.352164      4.131220
  H      -7.819586     -6.182893      1.786530
  H      -7.013742     -4.639368      1.383483
  H      -8.686477     -4.654126      1.978155
  H      -8.143754     -3.009193      3.528779
  H      -7.005346     -3.219683      4.872799
  H      -6.397932     -2.969160      3.217238
  H      -4.177799     -5.319615      9.025070
  H      -2.506173     -4.497787      9.043479
  H      -4.090522     -6.522235      5.837711
  H      -3.297399     -7.856874      6.682821
  H      -4.683830     -7.022429      7.446401
  H      -0.766043     -5.362528      7.618538
  H      -1.091598     -6.758064      6.583384
  H       0.522265     -5.825551      4.980841
  H       0.739224     -4.349205      5.930641
  H       0.232417     -4.229798      4.233645
  H      -2.641798     -3.246133      6.465572
  H      -0.924098     -3.077655      6.808819
  H      -1.526851     -2.698734      5.184515
  N      -4.589668     -3.706415      5.432616
  N      -5.017410     -3.053881      6.364252
  H      -5.166442     -3.592325      7.242988
86
Coordinates from ORCA-job orca E -5436.398239782405
  N      -3.868134     -3.391766      2.544274
  C      -3.764758     -4.070283      1.238198
  C      -3.042089     -5.404463      1.326650
  N      -3.632426     -6.233982      2.404502
  C      -4.879301     -6.928955      2.011288
  C      -5.762429     -6.946721      3.249151
  N      -5.868750     -5.568926      3.725053
  Mo     -4.073199     -4.693752      3.983956
  N      -2.262738     -5.345241      4.543874
  C      -1.650698     -6.446106      3.800165
  C      -2.682892     -7.194649      2.999084
  H      -1.164319     -7.161933      4.484533
  H      -0.848732     -6.069933      3.140185
  H      -3.262718     -7.852426      3.662933
  H      -2.216804     -7.819143      2.218016
  H      -6.740617     -7.390285      3.024017
  H      -5.312808     -7.585141      4.028353
  H      -5.367498     -6.360000      1.211298
  H      -4.652442     -7.939079      1.631303
  H      -3.207477     -3.452385      0.520140
  H      -4.775789     -4.207275      0.816533
  H      -1.988386     -5.229266      1.579031
  H      -3.082520     -5.933860      0.360263
  C      -1.793231      0.589892      1.187982
  C      -1.673827     -0.249507      2.226175
  C      -0.994641      0.162037      3.503496
  C      -2.165017     -1.677550      2.146972
  C      -3.678659     -1.914440      2.475022
  C      -4.584558     -1.319151      1.382584
  C      -4.038039     -1.243100      3.794311
  C      -7.224833     -6.001900      6.721867
  C      -8.110222     -5.342860      5.958149
  C      -9.042541     -4.311980      6.529096
  C      -8.242289     -5.646640      4.482491
  C      -7.211761     -4.943370      3.537425
  C      -7.697760     -5.117689      2.083677
  C      -7.164313     -3.442162      3.818821
  C      -3.196548     -5.192784      8.567070
  C      -2.839453     -5.905367      7.486346
  C      -3.783707     -6.896018      6.860939
  C      -1.468082     -5.769060      6.874102
  C      -1.349653     -4.840572      5.624378
  C       0.119500     -4.853093      5.149262
  C      -1.636811     -3.392063      6.024639
  H      -1.436500      1.619315      1.247899
  H      -2.242887      0.275999      0.243857
  H      -1.632013     -0.013249      4.382689
  H      -0.710449      1.221076      3.487618
  H      -0.082513     -0.436954      3.658149
  H      -1.591873     -2.302788      2.850336
  H      -1.967548     -2.064800      1.137221
  H      -4.492567     -0.225777      1.395793
  H      -5.635175     -1.577854      1.575112
  H      -4.319709     -1.660760      0.373690
  H      -5.098935     -1.383719      4.034459
  H      -3.441928     -1.623300      4.630163
  H      -3.848335     -0.166327      3.700958
  H      -6.594767     -6.791568      6.309327
  H      -7.125182     -5.792138      7.791119
  H     -10.083739     -4.671349      6.471353
  H      -9.008729     -3.369193      5.960744
  H      -8.816032     -4.096206      7.582198
  H      -8.172173     -6.734588      4.329363
  H      -9.241600     -5.349112      4.128724
  H      -7.827502     -6.167196      1.786448
  H      -7.001664     -4.633628      1.383528
  H      -8.674293     -4.627397      1.978621
  H      -8.120909     -2.994105      3.521131
  H      -6.998799     -3.214312      4.875520
  H      -6.374519     -2.969394      3.226674
  H      -4.178147     -5.314953      9.031801
  H      -2.509176     -4.487026      9.039061
  H      -4.096835     -6.552303      5.857041
  H      -3.295659     -7.873495      6.714933
  H      -4.682259     -7.035005      7.473344
  H      -0.768863     -5.365333      7.621892
  H      -1.094734     -6.769971      6.599135
  H       0.513804     -5.861891      4.980612
  H       0.743183     -4.381114      5.919965
  H       0.230719     -4.269626      4.224302
  H      -2.627353     -3.248955      6.456606
  H      -0.905759     -3.088402      6.787046
  H      -1.516535     -2.722214      5.163642
  N      -4.576011     -3.709825      5.430264
  N      -4.993121     -3.065262      6.371083
  H      -5.071347     -3.593637      7.262143
86
Coordinates from ORCA-job orca E -5476.005048912038
  N      -3.841327     -3.394703      2.543386
  C      -3.730306     -4.073565      1.238950
  C      -3.026634     -5.417112      1.334292
  N      -3.632088     -6.243866      2.405964
  C      -4.883383     -6.924154      2.004445
  C      -5.767961     -6.942553      3.241662
  N      -5.867489     -5.567283      3.724934
  Mo     -4.067095     -4.695894      3.975859
  N      -2.269170     -5.371129      4.549749
  C      -1.662077     -6.477133      3.810032
  C      -2.696518     -7.215466      3.003354
  H      -1.183669     -7.194585      4.498277
  H      -0.854390     -6.108171      3.153165
  H      -3.286667     -7.867485      3.663723
  H      -2.233882     -7.842725      2.222723
  H      -6.748528     -7.379344      3.014213
  H      -5.320645     -7.585510      4.018495
  H      -5.364058     -6.346000      1.206859
  H      -4.663961     -7.934222      1.619434
  H      -3.151089     -3.463131      0.531709
  H      -4.736812     -4.191840      0.801896
  H      -1.972964     -5.254502      1.594319
  H      -3.065962     -5.943566      0.366432
  C      -1.830673      0.624085      1.194518
  C      -1.700523     -0.216436      2.230546
  C      -1.035600      0.202775      3.512475
  C      -2.166305     -1.651617      2.143999
  C      -3.677821     -1.913892      2.466906
  C      -4.586197     -1.338761      1.366351
  C      -4.051301     -1.243021      3.781000
  C      -7.216733     -5.983507      6.719158
  C      -8.106563     -5.330449      5.956420
  C      -9.042596     -4.303426      6.526312
  C      -8.237830     -5.637891      4.481803
  C      -7.205689     -4.934148      3.536749
  C      -7.692103     -5.103625      2.083873
  C      -7.149341     -3.435792      3.821216
  C      -3.199408     -5.189251      8.569631
  C      -2.842593     -5.911077      7.493986
  C      -3.785480     -6.912315      6.881380
  C      -1.471306     -5.778926      6.880853
  C      -1.350681     -4.861601      5.623415
  C       0.117313     -4.886200      5.144620
  C      -1.625879     -3.407192      6.011515
  H      -1.493908      1.659149      1.259659
  H      -2.269775      0.305151      0.247386
  H      -1.673596      0.014459      4.387467
  H      -0.770941      1.265888      3.500988
  H      -0.113955     -0.379847      3.671171
  H      -1.584818     -2.271415      2.845923
  H      -1.959830     -2.029887      1.133462
  H      -4.505604     -0.244648      1.368154
  H      -5.634673     -1.604035      1.555809
  H      -4.311993     -1.689223      0.363747
  H      -5.110958     -1.392119      4.016098
  H      -3.456076     -1.617512      4.621599
  H      -3.869854     -0.165053      3.686039
  H      -6.584582     -6.771410      6.307056
  H      -7.115807     -5.770776      7.787254
  H     -10.080741     -4.668321      6.476741
  H      -9.016465     -3.365488      5.952789
  H      -8.813771     -4.080206      7.576002
  H      -8.164370     -6.725965      4.333411
  H      -9.238469     -5.345872      4.126636
  H      -7.835472     -6.151112      1.786664
  H      -6.989824     -4.627692      1.384062
  H      -8.662075     -4.600609      1.979636
  H      -8.097975     -2.979421      3.514060
  H      -6.991995     -3.209181      4.878416
  H      -6.351347     -2.970093      3.236322
  H      -4.179196     -5.311505      9.038226
  H      -2.512870     -4.477717      9.034895
  H      -4.103372     -6.581952      5.875971
  H      -3.294312     -7.890027      6.745838
  H      -4.681140     -7.047871      7.499340
  H      -0.772119     -5.368961      7.625472
  H      -1.098228     -6.782204      6.614594
  H       0.505038     -5.898136      4.980807
  H       0.746803     -4.413436      5.910270
  H       0.228837     -4.309137      4.215973
  H      -2.613122     -3.252390      6.448345
  H      -0.887785     -3.100004      6.766234
  H      -1.506567     -2.745890      5.144001
  N      -4.562464     -3.713834      5.428578
  N      -4.967171     -3.076534      6.378484
  H      -4.971876     -3.590237      7.278990
86
Coordinates from ORCA-job orca E -5476.005445530983
  N      -3.814808     -3.394729      2.556706
  C      -3.694224     -4.065776      1.248922
  C      -3.006281     -5.416844      1.344057
  N      -3.625331     -6.242965      2.407550
  C      -4.880536     -6.909538      1.996003
  C      -5.766732     -6.939393      3.232685
  N      -5.864798     -5.570011      3.730402
  Mo     -4.062850     -4.698041      3.976836
  N      -2.276630     -5.394039      4.562669
  C      -1.670668     -6.499946      3.822156
  C      -2.703121     -7.226332      3.003703
  H      -1.200317     -7.220905      4.511923
  H      -0.856689     -6.132834      3.171660
  H      -3.302561     -7.878172      3.654991
  H      -2.240481     -7.850363      2.220461
  H      -6.748099     -7.371032      2.999900
  H      -5.320160     -7.589837      4.003437
  H      -5.355838     -6.317640      1.205635
  H      -4.667174     -7.916418      1.598824
  H      -3.092034     -3.457561      0.558309
  H      -4.693903     -4.163569      0.791957
  H      -1.952572     -5.265615      1.610336
  H      -3.045021     -5.938808      0.373437
  C      -1.873850      0.641198      1.140009
  C      -1.719607     -0.182363      2.189370
  C      -1.038467      0.268458      3.453866
  C      -2.167074     -1.628187      2.129372
  C      -3.672550     -1.910343      2.479614
  C      -4.601986     -1.350530      1.390676
  C      -4.030458     -1.242147      3.799468
  C      -7.270387     -6.007025      6.724337
  C      -8.140376     -5.349376      5.945980
  C      -9.080336     -4.320843      6.497969
  C      -8.242827     -5.648301      4.468324
  C      -7.199625     -4.928562      3.545050
  C      -7.675803     -5.066996      2.084078
  C      -7.139465     -3.435223      3.866727
  C      -3.210941     -5.185347      8.572010
  C      -2.847923     -5.918710      7.505914
  C      -3.781796     -6.936496      6.908498
  C      -1.475929     -5.789054      6.894774
  C      -1.350928     -4.883386      5.630098
  C       0.116619     -4.925906      5.149548
  C      -1.605978     -3.422635      6.006757
  H      -1.548143      1.683956      1.183191
  H      -2.320411      0.299061      0.202632
  H      -1.663710      0.093590      4.346387
  H      -0.780276      1.337233      3.417362
  H      -0.110071     -0.307005      3.607436
  H      -1.566287     -2.232023      2.829139
  H      -1.969856     -2.014596      1.117462
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  H      -5.647161     -1.618727      1.596847
  H      -4.339607     -1.708140      0.387262
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  H      -3.419402     -1.612714      4.629641
  H      -3.854515     -0.163724      3.701443
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  H      -7.186929     -5.795652      7.792052
  H     -10.121463     -4.683140      6.426136
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  H      -8.869589     -4.100932      7.553575
  H      -8.164315     -6.735669      4.314180
  H      -9.237945     -5.360042      4.099004
  H      -7.828123     -6.108426      1.765897
  H      -6.964231     -4.584180      1.397096
  H      -8.639611     -4.551139      1.983654
  H      -8.083868     -2.959788      3.562812
  H      -6.987979     -3.235147      4.933434
  H      -6.334160     -2.961144      3.293106
  H      -4.189326     -5.312098      9.042160
  H      -2.530114     -4.464499      9.030262
  H      -4.107588     -6.621299      5.902352
  H      -3.280147     -7.909779      6.784127
  H      -4.673249     -7.074401      7.531013
  H      -0.779568     -5.372128      7.637812
  H      -1.100645     -6.793907      6.638531
  H       0.495630     -5.942299      4.992318
  H       0.751678     -4.453699      5.910568
  H       0.231492     -4.355606      4.217023
  H      -2.588483     -3.246771      6.443179
  H      -0.862823     -3.120252      6.757338
  H      -1.478117     -2.769877      5.134686
  N      -4.549580     -3.711185      5.433216
  N      -4.949214     -3.077268      6.389315
  H      -4.869748     -3.568795      7.297083
86
Coordinates from ORCA-job orca E -5476.005844766176
  N      -3.791417     -3.406242      2.553815
  C      -3.658478     -4.071811      1.241611
  C      -2.984055     -5.428468      1.339498
  N      -3.617779     -6.247135      2.399230
  C      -4.877626     -6.904153      1.981974
  C      -5.764705     -6.942606      3.218122
  N      -5.863605     -5.575740      3.722893
  Mo     -4.064543     -4.704060      3.967973
  N      -2.290447     -5.415239      4.568183
  C      -1.682261     -6.523499      3.832448
  C      -2.708722     -7.240277      3.000676
  H      -1.223477     -7.246726      4.527705
  H      -0.859883     -6.160569      3.190427
  H      -3.317834     -7.891861      3.641999
  H      -2.241179     -7.863067      2.218922
  H      -6.746807     -7.370579      2.980734
  H      -5.319835     -7.598610      3.985150
  H      -5.350385     -6.300952      1.198251
  H      -4.669885     -7.908362      1.575243
  H      -3.037445     -3.466004      0.566186
  H      -4.650075     -4.154918      0.764278
  H      -1.929729     -5.287091      1.610154
  H      -3.022934     -5.951534      0.368997
  C      -1.948714      0.688456      1.184730
  C      -1.745386     -0.159595      2.198920
  C      -1.031739      0.266375      3.451960
  C      -2.171261     -1.606856      2.108797
  C      -3.666821     -1.917160      2.482393
  C      -4.623277     -1.364282      1.414678
  C      -4.004500     -1.260691      3.813417
  C      -7.260604     -6.008999      6.717909
  C      -8.129629     -5.343437      5.943103
  C      -9.053032     -4.297327      6.494847
  C      -8.243871     -5.643493      4.466973
  C      -7.199740     -4.933610      3.539768
  C      -7.677437     -5.078675      2.080215
  C      -7.138653     -3.443855      3.859498
  C      -3.247810     -5.139513      8.554629
  C      -2.870411     -5.900565      7.512270
  C      -3.788484     -6.946025      6.937723
  C      -1.494725     -5.779526      6.908362
  C      -1.359673     -4.896821      5.629292
  C       0.110200     -4.959447      5.156084
  C      -1.596783     -3.427392      5.981059
  H      -1.641037      1.732269      1.251772
  H      -2.418796      0.365794      0.254583
  H      -1.618847      0.046075      4.351536
  H      -0.802704      1.336937      3.446641
  H      -0.086190     -0.283071      3.557006
  H      -1.545572     -2.216582      2.779053
  H      -1.989431     -1.960085      1.084925
  H      -4.557191     -0.270804      1.409415
  H      -5.662966     -1.640254      1.640094
  H      -4.378267     -1.717350      0.405316
  H      -5.051861     -1.429334      4.094607
  H      -3.365574     -1.623120      4.625635
  H      -3.845833     -0.180240      3.714878
  H      -6.633031     -6.802630      6.315148
  H      -7.164268     -5.793107      7.782241
  H     -10.101913     -4.645725      6.435669
  H      -9.006417     -3.362581      5.915460
  H      -8.825660     -4.070089      7.544586
  H      -8.176772     -6.730252      4.311939
  H      -9.240233     -5.347051      4.101824
  H      -7.834625     -6.119817      1.769973
  H      -6.964504     -4.603941      1.390778
  H      -8.639559     -4.560313      1.975403
  H      -8.083980     -2.967875      3.554984
  H      -6.985077     -3.245688      4.924274
  H      -6.331594     -2.967896      3.283706
  H      -4.227538     -5.266336      9.021963
  H      -2.576730     -4.400636      8.999595
  H      -4.120701     -6.654410      5.926298
  H      -3.271618     -7.913519      6.834859
  H      -4.678288     -7.084092      7.562044
  H      -0.804512     -5.349402      7.649671
  H      -1.116280     -6.788495      6.672734
  H       0.483979     -5.981121      5.019890
  H       0.744095     -4.477901      5.911578
  H       0.234172     -4.405164      4.214595
  H      -2.574484     -3.228098      6.415370
  H      -0.849457     -3.124547      6.726928
  H      -1.458548     -2.789580      5.097399
  N      -4.539743     -3.699460      5.415124
  N      -4.942645     -3.062039      6.368206
  H      -4.786742     -3.527807      7.284368
86
Coordinates from ORCA-job orca E -5476.006193078344
  N      -3.784481     -3.407865      2.549916
  C      -3.649077     -4.068103      1.233309
  C      -2.981048     -5.428101      1.329653
  N      -3.619788     -6.239368      2.391367
  C      -4.883477     -6.892525      1.975841
  C      -5.768023     -6.936315      3.213680
  N      -5.865912     -5.570235      3.721512
  Mo     -4.069090     -4.701489      3.965526
  N      -2.297880     -5.418837      4.565763
  C      -1.691150     -6.528560      3.831562
  C      -2.716482     -7.238284      2.992758
  H      -1.240289     -7.255734      4.527868
  H      -0.864358     -6.168356      3.194241
  H      -3.329002     -7.892284      3.627463
  H      -2.246547     -7.859072      2.210941
  H      -6.751221     -7.362076      2.974956
  H      -5.324484     -7.596558      3.977437
  H      -5.358156     -6.282065      1.198781
  H      -4.680353     -7.894448      1.561590
  H      -3.024711     -3.461381      0.561827
  H      -4.638237     -4.146761      0.750662
  H      -1.925374     -5.292642      1.598323
  H      -3.024509     -5.953215      0.360424
  C      -1.918896      0.686880      1.179290
  C      -1.732506     -0.160444      2.202651
  C      -1.031243      0.266406      3.461383
  C      -2.159351     -1.609503      2.116242
  C      -3.656560     -1.917895      2.484329
  C      -4.609729     -1.359454      1.416189
  C      -3.996503     -1.267151      3.818968
  C      -7.232537     -6.018181      6.711826
  C      -8.120940     -5.362785      5.952813
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  C      -7.205213     -4.932429      3.544097
  C      -7.683613     -5.078983      2.084500
  C      -7.148561     -3.443781      3.863967
  C      -3.273611     -5.095282      8.530874
  C      -2.885530     -5.878319      7.509436
  C      -3.793040     -6.940717      6.951611
  C      -1.506554     -5.765615      6.910448
  C      -1.364040     -4.897125      5.621887
  C       0.108426     -4.973404      5.156398
  C      -1.594616     -3.423049      5.956802
  H      -1.606631      1.731002      1.242878
  H      -2.375661      0.363061      0.243815
  H      -1.634843      0.058619      4.359126
  H      -0.791130      1.338683      3.446525
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  H      -1.969250     -1.963907      1.093341
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  H      -4.364466     -1.711949      0.406329
  H      -5.040490     -1.440486      4.104050
  H      -3.351116     -1.627229      4.625967
  H      -3.847676     -0.185052      3.722490
  H      -6.587524     -6.791554      6.292083
  H      -7.133790     -5.813600      7.780003
  H     -10.099985     -4.720236      6.490429
  H      -9.058949     -3.408882      5.953261
  H      -8.828811     -4.113574      7.575503
  H      -8.175618     -6.734329      4.304255
  H      -9.243315     -5.348798      4.116634
  H      -7.829980     -6.121178      1.774482
  H      -6.975627     -4.596719      1.395293
  H      -8.651685     -4.570638      1.979576
  H      -8.093280     -2.972272      3.559806
  H      -6.993483     -3.247778      4.926266
  H      -6.343180     -2.964790      3.290818
  H      -4.255416     -5.217598      8.994376
  H      -2.608821     -4.345838      8.965179
  H      -4.129705     -6.664122      5.937696
  H      -3.265837     -7.902904      6.862068
  H      -4.682055     -7.078992      7.577064
  H      -0.819639     -5.328739      7.650697
  H      -1.128119     -6.777121      6.687271
  H       0.478623     -5.998420      5.036490
  H       0.739176     -4.485073      5.909598
  H       0.241608     -4.431209      4.209039
  H      -2.569999     -3.213815      6.394435
  H      -0.841849     -3.117116      6.697046
  H      -1.457165     -2.796183      5.062839
  N      -4.539362     -3.682443      5.411654
  N      -4.946013     -3.042149      6.363702
  H      -4.806274     -3.526550      7.273436
86
Coordinates from ORCA-job orca E -5476.006491375397
  N      -3.769828     -3.410437      2.540334
  C      -3.636352     -4.072672      1.223285
  C      -2.976662     -5.437227      1.323130
  N      -3.620120     -6.237174      2.389964
  C      -4.888630     -6.884618      1.976645
  C      -5.768726     -6.925735      3.215886
  N      -5.860385     -5.558272      3.726883
  Mo     -4.064619     -4.696019      3.964234
  N      -2.296217     -5.421894      4.564371
  C      -1.694984     -6.538061      3.835279
  C      -2.722518     -7.241676      2.992986
  H      -1.254009     -7.268918      4.534591
  H      -0.862769     -6.185470      3.201856
  H      -3.338871     -7.895799      3.623939
  H      -2.252558     -7.863516      2.212523
  H      -6.753948     -7.348001      2.979237
  H      -5.327747     -7.590450      3.977189
  H      -5.363556     -6.268141      1.204310
  H      -4.692218     -7.885902      1.557905
  H      -3.012262     -3.469150      0.549658
  H      -4.625790     -4.149176      0.741993
  H      -1.919458     -5.309097      1.589326
  H      -3.026388     -5.967215      0.357370
  C      -1.932664      0.703866      1.197013
  C      -1.728498     -0.156368      2.204698
  C      -1.011516      0.255514      3.459512
  C      -2.151043     -1.605724      2.104246
  C      -3.646964     -1.919158      2.467060
  C      -4.597281     -1.369094      1.391094
  C      -3.997986     -1.262008      3.797063
  C      -7.249299     -6.044364      6.714086
  C      -8.138171     -5.395739      5.954296
  C      -9.111535     -4.410402      6.539934
  C      -8.241810     -5.659133      4.467559
  C      -7.201766     -4.918532      3.557340
  C      -7.675233     -5.033270      2.090535
  C      -7.150899     -3.431321      3.908664
  C      -3.287155     -5.049146      8.513349
  C      -2.891935     -5.854153      7.511923
  C      -3.792731     -6.929578      6.971471
  C      -1.510290     -5.753723      6.915776
  C      -1.359384     -4.899554      5.617924
  C       0.114676     -4.995333      5.159858
  C      -1.581422     -3.420359      5.938233
  H      -1.623185      1.747649      1.271169
  H      -2.402881      0.391964      0.264122
  H      -1.595928      0.022874      4.360860
  H      -0.785225      1.328725      3.461286
  H      -0.060016     -0.295184      3.553790
  H      -1.527025     -2.218399      2.774004
  H      -1.958281     -1.948728      1.078267
  H      -4.537595     -0.272265      1.381245
  H      -5.635618     -1.649758      1.612758
  H      -4.344696     -1.723786      0.383493
  H      -5.040050     -1.441453      4.080665
  H      -3.350420     -1.610634      4.608563
  H      -3.861789     -0.177169      3.692466
  H      -6.584545     -6.797177      6.291229
  H      -7.170958     -5.856583      7.788262
  H     -10.132691     -4.813162      6.486013
  H      -9.120954     -3.464241      5.975595
  H      -8.891509     -4.190106      7.593801
  H      -8.165202     -6.742015      4.279829
  H      -9.238474     -5.358302      4.108634
  H      -7.810092     -6.071425      1.753752
  H      -6.969811     -4.526432      1.413368
  H      -8.648456     -4.530804      1.994829
  H      -8.095213     -2.953713      3.613110
  H      -6.997442     -3.258700      4.977364
  H      -6.346589     -2.937871      3.347878
  H      -4.270998     -5.163823      8.975287
  H      -2.625697     -4.289726      8.934555
  H      -4.133081     -6.669215      5.955064
  H      -3.258445     -7.888473      6.894625
  H      -4.680993     -7.064982      7.599792
  H      -0.823537     -5.312204      7.653770
  H      -1.136376     -6.768838      6.703603
  H       0.474906     -6.025436      5.053362
  H       0.745410     -4.505269      5.912423
  H       0.260171     -4.464951      4.207697
  H      -2.556859     -3.200015      6.370804
  H      -0.829231     -3.113811      6.677931
  H      -1.437438     -2.804124      5.038902
  N      -4.531515     -3.676631      5.408175
  N      -4.932018     -3.038447      6.362202
  H      -4.750538     -3.516445      7.274092
86
Coordinates from ORCA-job orca E -5476.006816594219
  N      -3.753222     -3.412283      2.537918
  C      -3.619697     -4.071323      1.218374
  C      -2.967184     -5.440675      1.318889
  N      -3.616023     -6.232844      2.388956
  C      -4.888067     -6.874240      1.973235
  C      -5.768227     -6.918376      3.211364
  N      -5.856032     -5.551231      3.729613
  Mo     -4.060166     -4.693215      3.966552
  N      -2.295177     -5.428526      4.569169
  C      -1.696063     -6.547814      3.842576
  C      -2.722760     -7.243654      2.989975
  H      -1.266694     -7.284425      4.543435
  H      -0.855683     -6.199029      3.217519
  H      -3.342894     -7.903189      3.612053
  H      -2.249380     -7.860850      2.207803
  H      -6.754119     -7.336006      2.970516
  H      -5.333460     -7.589783      3.970202
  H      -5.361706     -6.248766      1.207027
  H      -4.696314     -7.872607      1.545598
  H      -2.994809     -3.467608      0.545791
  H      -4.609461     -4.145247      0.737353
  H      -1.908984     -5.319696      1.585226
  H      -3.021180     -5.972939      0.354634
  C      -1.971944      0.728434      1.205996
  C      -1.738627     -0.145595      2.194536
  C      -0.995241      0.251795      3.439560
  C      -2.155700     -1.596640      2.082460
  C      -3.643521     -1.920471      2.462946
  C      -4.611933     -1.378733      1.399596
  C      -3.981790     -1.265455      3.798189
  C      -7.240375     -6.062919      6.704117
  C      -8.131228     -5.407207      5.948782
  C      -9.102360     -4.422386      6.540875
  C      -8.239269     -5.656602      4.459933
  C      -7.198323     -4.911762      3.557627
  C      -7.667490     -5.017162      2.088552
  C      -7.156227     -3.425053      3.916823
  C      -3.314933     -5.012925      8.498303
  C      -2.907506     -5.838161      7.519150
  C      -3.795495     -6.931112      6.997214
  C      -1.522353     -5.746074      6.929571
  C      -1.359101     -4.905903      5.622754
  C       0.116230     -5.024922      5.176701
  C      -1.571486     -3.420856      5.926035
  H      -1.666892      1.772789      1.289442
  H      -2.463741      0.428539      0.279098
  H      -1.552415     -0.008111      4.350354
  H      -0.783286      1.327430      3.457258
  H      -0.035305     -0.285202      3.497093
  H      -1.518079     -2.212292      2.735896
  H      -1.975708     -1.926984      1.049249
  H      -4.568244     -0.282552      1.395090
  H      -5.642778     -1.676693      1.631303
  H      -4.365959     -1.724206      0.387795
  H      -5.020720     -1.447532      4.095009
  H      -3.323449     -1.612039      4.600557
  H      -3.851908     -0.179953      3.692434
  H      -6.575688     -6.815043      6.276919
  H      -7.160734     -5.882046      7.779753
  H     -10.125930     -4.825688      6.485478
  H      -9.113125     -3.472735      5.980337
  H      -8.877307     -4.206782      7.595574
  H      -8.169108     -6.737438      4.260090
  H      -9.233726     -5.343984      4.105495
  H      -7.794885     -6.053012      1.742701
  H      -6.962692     -4.501260      1.418487
  H      -8.642855     -4.520085      1.992390
  H      -8.106840     -2.952562      3.626353
  H      -7.001379     -3.260149      4.988537
  H      -6.355213     -2.921132      3.357967
  H      -4.299984     -5.124990      8.959136
  H      -2.660379     -4.241032      8.905834
  H      -4.140307     -6.691057      5.978065
  H      -3.248709     -7.883806      6.934914
  H      -4.682444     -7.067447      7.627640
  H      -0.838375     -5.299216      7.666492
  H      -1.151244     -6.763978      6.728809
  H       0.461940     -6.061361      5.083608
  H       0.746144     -4.536403      5.931303
  H       0.279444     -4.506931      4.220827
  H      -2.548700     -3.189266      6.343885
  H      -0.826179     -3.113484      6.669958
  H      -1.414801     -2.816695      5.023001
  N      -4.535094     -3.682417      5.417219
  N      -4.927852     -3.051135      6.378991
  H      -4.751921     -3.549307      7.279324
86
Coordinates from ORCA-job orca E -5476.007013486842
  N      -3.733712     -3.418318      2.534835
  C      -3.594156     -4.072575      1.213224
  C      -2.950373     -5.445503      1.314053
  N      -3.611732     -6.228714      2.383756
  C      -4.888433     -6.857469      1.959579
  C      -5.767819     -6.909546      3.196202
  N      -5.848687     -5.545493      3.732558
  Mo     -4.057036     -4.690553      3.970255
  N      -2.300685     -5.443319      4.576732
  C      -1.705169     -6.567204      3.851357
  C      -2.728373     -7.250520      2.982991
  H      -1.292767     -7.312036      4.553833
  H      -0.853941     -6.223329      3.238661
  H      -3.356226     -7.917041      3.590297
  H      -2.249693     -7.860085      2.197892
  H      -6.755549     -7.317801      2.948916
  H      -5.342093     -7.593438      3.948930
  H      -5.358112     -6.216498      1.203390
  H      -4.702911     -7.850272      1.516363
  H      -2.966508     -3.465789      0.546515
  H      -4.583071     -4.143975      0.729127
  H      -1.891916     -5.334652      1.585769
  H      -3.006253     -5.979484      0.350631
  C      -2.011696      0.758103      1.201404
  C      -1.760383     -0.126779      2.180378
  C      -1.010238      0.262385      3.425063
  C      -2.164609     -1.583017      2.060171
  C      -3.643372     -1.923550      2.454854
  C      -4.630953     -1.398099      1.401407
  C      -3.973871     -1.264856      3.789819
  C      -7.227759     -6.075842      6.687963
  C      -8.124761     -5.415827      5.939792
  C      -9.094520     -4.434211      6.538130
  C      -8.237355     -5.649193      4.450540
  C      -7.191284     -4.902127      3.559842
  C      -7.651811     -4.990126      2.087553
  C      -7.151787     -3.419155      3.934607
  C      -3.336125     -4.982354      8.496113
  C      -2.921737     -5.827583      7.536687
  C      -3.800270     -6.941200      7.044950
  C      -1.534950     -5.745931      6.946004
  C      -1.362112     -4.920174      5.630562
  C       0.113487     -5.061555      5.194995
  C      -1.559763     -3.429624      5.917207
  H      -1.716665      1.805514      1.293332
  H      -2.507892      0.465399      0.272775
  H      -1.554764     -0.021234      4.341672
  H      -0.814033      1.343646      3.454265
  H      -0.039427     -0.264368      3.462708
  H      -1.513241     -2.196428      2.702959
  H      -1.989988     -1.903454      1.021736
  H      -4.612126     -0.302386      1.401332
  H      -5.652683     -1.721097      1.641009
  H      -4.385966     -1.733573      0.386299
  H      -5.011970     -1.441529      4.094483
  H      -3.312600     -1.609176      4.588792
  H      -3.843955     -0.180554      3.679817
  H      -6.562019     -6.825536      6.255976
  H      -7.144974     -5.901537      7.763557
  H     -10.120651     -4.840908      6.488105
  H      -9.112700     -3.485571      5.978428
  H      -8.860142     -4.217886      7.589411
  H      -8.179392     -6.726444      4.239445
  H      -9.228800     -5.322360      4.100651
  H      -7.776560     -6.020148      1.726635
  H      -6.944127     -4.466019      1.429611
  H      -8.626028     -4.493977      1.989841
  H      -8.100827     -2.949022      3.642062
  H      -7.006397     -3.265420      5.007868
  H      -6.349062     -2.903790      3.392316
  H      -4.317557     -5.097089      8.967758
  H      -2.685303     -4.196941      8.883353
  H      -4.155077     -6.732748      6.022396
  H      -3.240928     -7.887960      7.000891
  H      -4.683217     -7.074618      7.682487
  H      -0.848553     -5.295564      7.678796
  H      -1.169817     -6.767533      6.755242
  H       0.444312     -6.104321      5.114697
  H       0.742804     -4.575825      5.952435
  H       0.295612     -4.555081      4.235739
  H      -2.537199     -3.183553      6.328837
  H      -0.813075     -3.122702      6.662008
  H      -1.395988     -2.837729      5.007073
  N      -4.530716     -3.691391      5.417220
  N      -4.918687     -3.069726      6.385998
  H      -4.650937     -3.536312      7.289239
86
Coordinates from ORCA-job orca E -5476.007333094108
  N      -3.727187     -3.423414      2.530830
  C      -3.586436     -4.076115      1.211114
  C      -2.939002     -5.444662      1.314851
  N      -3.606738     -6.223164      2.383917
  C      -4.883928     -6.844936      1.953703
  C      -5.770019     -6.899173      3.186084
  N      -5.846406     -5.538129      3.730198
  Mo     -4.053237     -4.688090      3.978600
  N      -2.298052     -5.446860      4.584583
  C      -1.707285     -6.573348      3.859716
  C      -2.729291     -7.249421      2.984454
  H      -1.302862     -7.322092      4.562600
  H      -0.852078     -6.232544      3.251626
  H      -3.361535     -7.917739      3.584854
  H      -2.247773     -7.856094      2.198619
  H      -6.758831     -7.300356      2.931056
  H      -5.354137     -7.588647      3.939188
  H      -5.348335     -6.198821      1.198487
  H      -4.699257     -7.835468      1.505680
  H      -2.965622     -3.464827      0.542513
  H      -4.577677     -4.156316      0.731308
  H      -1.881920     -5.333372      1.592078
  H      -2.991298     -5.981244      0.352393
  C      -2.043839      0.771458      1.216635
  C      -1.763232     -0.130009      2.169302
  C      -0.982423      0.237600      3.401588
  C      -2.167917     -1.583864      2.034287
  C      -3.639831     -1.928976      2.447813
  C      -4.642097     -1.409599      1.404524
  C      -3.957115     -1.265564      3.782847
  C      -7.240209     -6.096993      6.675556
  C      -8.134663     -5.430363      5.929553
  C      -9.108109     -4.456923      6.532386
  C      -8.240875     -5.647268      4.438317
  C      -7.189364     -4.893008      3.560788
  C      -7.641119     -4.964013      2.086149
  C      -7.152871     -3.414709      3.953718
  C      -3.324144     -4.965640      8.508157
  C      -2.915545     -5.817360      7.551017
  C      -3.797393     -6.938705      7.077078
  C      -1.530868     -5.740271      6.953114
  C      -1.358115     -4.919139      5.634747
  C       0.117326     -5.062691      5.200562
  C      -1.555340     -3.427217      5.912260
  H      -1.750212      1.817059      1.322488
  H      -2.563306      0.496465      0.295841
  H      -1.493746     -0.080702      4.322789
  H      -0.801072      1.318448      3.456563
  H      -0.005745     -0.273598      3.395873
  H      -1.505434     -2.203568      2.658945
  H      -2.009989     -1.891023      0.990144
  H      -4.632730     -0.312805      1.406361
  H      -5.659116     -1.744164      1.655331
  H      -4.404145     -1.741644      0.385353
  H      -4.993805     -1.437101      4.094706
  H      -3.291710     -1.609812      4.579597
  H      -3.824000     -0.182588      3.668386
  H      -6.572751     -6.842678      6.241528
  H      -7.162507     -5.932467      7.752562
  H     -10.134406     -4.867069      6.472858
  H      -9.125570     -3.502199      5.981546
  H      -8.877371     -4.250479      7.586982
  H      -8.188797     -6.721958      4.215142
  H      -9.228739     -5.311964      4.088531
  H      -7.759465     -5.989149      1.710549
  H      -6.932116     -4.428435      1.440156
  H      -8.616489     -4.471469      1.989600
  H      -8.107942     -2.947339      3.672871
  H      -7.002182     -3.272602      5.029308
  H      -6.356383     -2.889352      3.413512
  H      -4.299871     -5.080204      8.991568
  H      -2.669163     -4.178018      8.885220
  H      -4.159577     -6.748792      6.051019
  H      -3.237339     -7.886238      7.042959
  H      -4.676624     -7.064458      7.721316
  H      -0.839234     -5.290546      7.681597
  H      -1.170314     -6.763750      6.763985
  H       0.445118     -6.106615      5.123600
  H       0.746186     -4.577678      5.958674
  H       0.304391     -4.558976      4.240591
  H      -2.533400     -3.184379      6.329739
  H      -0.803144     -3.112550      6.651765
  H      -1.400792     -2.841150      4.994540
  N      -4.530250     -3.672472      5.421172
  N      -4.930285     -3.050210      6.386448
  H      -4.741729     -3.554969      7.282599
86
Coordinates from ORCA-job orca E -5476.007594054270
  N      -3.719861     -3.419864      2.527098
  C      -3.575641     -4.077246      1.210533
  C      -2.931137     -5.446179      1.320971
  N      -3.606704     -6.225877      2.385193
  C      -4.883545     -6.842122      1.950073
  C      -5.774769     -6.892619      3.179522
  N      -5.846627     -5.532226      3.724489
  Mo     -4.048395     -4.683844      3.975827
  N      -2.299477     -5.454130      4.588370
  C      -1.712077     -6.582460      3.864832
  C      -2.735372     -7.254930      2.989638
  H      -1.309463     -7.330881      4.569032
  H      -0.856025     -6.244977      3.256131
  H      -3.372136     -7.917655      3.590496
  H      -2.255629     -7.865359      2.205772
  H      -6.765095     -7.288734      2.921766
  H      -5.363221     -7.583326      3.933963
  H      -5.342072     -6.196820      1.191034
  H      -4.699767     -7.834201      1.505130
  H      -2.949507     -3.470831      0.542412
  H      -4.565221     -4.156114      0.726806
  H      -1.876547     -5.335489      1.606409
  H      -2.976122     -5.982017      0.357881
  C      -2.048281      0.779163      1.208862
  C      -1.763520     -0.118796      2.164047
  C      -0.983584      0.256221      3.394935
  C      -2.160650     -1.574781      2.032981
  C      -3.634334     -1.925741      2.443074
  C      -4.632559     -1.409534      1.393883
  C      -3.961176     -1.263602      3.775859
  C      -7.234637     -6.093936      6.674655
  C      -8.134412     -5.431640      5.933091
  C      -9.112596     -4.467443      6.543534
  C      -8.240933     -5.645825      4.440365
  C      -7.191269     -4.888196      3.560646
  C      -7.644537     -4.961880      2.087919
  C      -7.161177     -3.411529      3.952153
  C      -3.315957     -4.978230      8.518075
  C      -2.913482     -5.826327      7.554741
  C      -3.800361     -6.944772      7.082257
  C      -1.531446     -5.748205      6.953680
  C      -1.359343     -4.925553      5.637014
  C       0.115264     -5.064311      5.198537
  C      -1.560261     -3.434352      5.915372
  H      -1.759895      1.827313      1.312399
  H      -2.565055      0.499603      0.288161
  H      -1.489744     -0.067605      4.317075
  H      -0.811837      1.338826      3.451303
  H      -0.003345     -0.247760      3.386027
  H      -1.497735     -2.190659      2.661644
  H      -1.999015     -1.884493      0.990222
  H      -4.627914     -0.312214      1.396184
  H      -5.649739     -1.748435      1.636990
  H      -4.385387     -1.740963      0.376976
  H      -5.001043     -1.433500      4.075118
  H      -3.305638     -1.613340      4.580267
  H      -3.821880     -0.181525      3.665632
  H      -6.563988     -6.833310      6.237096
  H      -7.155890     -5.931188      7.751914
  H     -10.135064     -4.883427      6.485428
  H      -9.137213     -3.509664      5.997408
  H      -8.881627     -4.265245      7.599491
  H      -8.185412     -6.721471      4.216963
  H      -9.231299     -5.314514      4.091898
  H      -7.764771     -5.986972      1.713903
  H      -6.935119     -4.427520      1.439992
  H      -8.620722     -4.468443      1.993602
  H      -8.119218     -2.950502      3.670813
  H      -7.013298     -3.265211      5.025694
  H      -6.366933     -2.881936      3.409427
  H      -4.289735     -5.089233      9.001587
  H      -2.658339     -4.193660      8.897038
  H      -4.163875     -6.759057      6.057361
  H      -3.245070     -7.895295      7.051451
  H      -4.677467     -7.065413      7.728756
  H      -0.838073     -5.300754      7.681424
  H      -1.172216     -6.772284      6.762414
  H       0.444150     -6.107311      5.114106
  H       0.747007     -4.583062      5.956264
  H       0.297296     -4.555078      4.240712
  H      -2.539016     -3.196697      6.327803
  H      -0.814191     -3.116133      6.655697
  H      -1.404842     -2.846573      4.999970
  N      -4.520995     -3.664338      5.420971
  N      -4.918076     -3.042194      6.389073
  H      -4.736518     -3.542878      7.287853
86
Coordinates from ORCA-job orca E -5476.007786919531
  N      -3.718716     -3.413958      2.520255
  C      -3.568181     -4.076827      1.206939
  C      -2.923137     -5.444675      1.327091
  N      -3.606235     -6.226137      2.386250
  C      -4.881455     -6.839168      1.944422
  C      -5.779960     -6.887588      3.169121
  N      -5.848694     -5.528176      3.717828
  Mo     -4.047744     -4.675161      3.974451
  N      -2.304595     -5.456456      4.594737
  C      -1.718940     -6.587656      3.873630
  C      -2.741160     -7.257522      2.995576
  H      -1.318854     -7.334885      4.580642
  H      -0.860580     -6.253202      3.266116
  H      -3.383620     -7.915223      3.594953
  H      -2.261128     -7.870902      2.214218
  H      -6.770698     -7.278614      2.906432
  H      -5.373384     -7.580317      3.924551
  H      -5.333831     -6.195996      1.180376
  H      -4.696754     -7.833192      1.503312
  H      -2.936651     -3.474526      0.539731
  H      -4.554617     -4.156688      0.717436
  H      -1.872074     -5.330957      1.622423
  H      -2.957169     -5.982043      0.364622
  C      -2.043705      0.790372      1.205168
  C      -1.760459     -0.112372      2.156213
  C      -0.983360      0.256895      3.389554
  C      -2.156800     -1.567494      2.020176
  C      -3.632783     -1.919457      2.432828
  C      -4.630964     -1.405038      1.381994
  C      -3.958068     -1.254600      3.764775
  C      -7.226638     -6.097066      6.665467
  C      -8.137475     -5.444038      5.932101
  C      -9.127208     -4.498903      6.554065
  C      -8.242403     -5.651550      4.437389
  C      -7.194566     -4.884773      3.560967
  C      -7.648680     -4.948593      2.088172
  C      -7.168094     -3.412948      3.965628
  C      -3.310900     -4.973623      8.525076
  C      -2.913563     -5.825644      7.562482
  C      -3.803632     -6.948660      7.103159
  C      -1.533975     -5.747889      6.958223
  C      -1.359982     -4.929138      5.640562
  C       0.111502     -5.078979      5.193359
  C      -1.545472     -3.435022      5.917929
  H      -1.757518      1.838654      1.315306
  H      -2.556278      0.515879      0.282063
  H      -1.487748     -0.080890      4.308169
  H      -0.820345      1.340710      3.457815
  H       0.001525     -0.242096      3.374771
  H      -1.493907     -2.185926      2.646241
  H      -1.996832     -1.874626      0.976795
  H      -4.633147     -0.307332      1.387918
  H      -5.647319     -1.750839      1.619339
  H      -4.376596     -1.732942      0.365824
  H      -5.002697     -1.413861      4.056466
  H      -3.313692     -1.614128      4.574082
  H      -3.801493     -0.174261      3.657383
  H      -6.546141     -6.821995      6.219582
  H      -7.147479     -5.940258      7.743958
  H     -10.140895     -4.928456      6.502242
  H      -9.169472     -3.540320      6.013389
  H      -8.895297     -4.298772      7.609001
  H      -8.180777     -6.727186      4.210872
  H      -9.235201     -5.325467      4.089337
  H      -7.774855     -5.970675      1.707787
  H      -6.936268     -4.413843      1.442786
  H      -8.623335     -4.449477      1.998562
  H      -8.125441     -2.952363      3.685460
  H      -7.025138     -3.272353      5.039816
  H      -6.374844     -2.877083      3.428853
  H      -4.283472     -5.078353      9.008966
  H      -2.652427     -4.186275      8.899341
  H      -4.173400     -6.778273      6.079268
  H      -3.250171     -7.900651      7.083297
  H      -4.676430     -7.062033      7.756111
  H      -0.839102     -5.299880      7.684146
  H      -1.176049     -6.773578      6.769654
  H       0.432305     -6.124013      5.105671
  H       0.753849     -4.602621      5.945574
  H       0.288319     -4.571164      4.234367
  H      -2.521213     -3.188461      6.341339
  H      -0.788252     -3.117182      6.650083
  H      -1.394212     -2.851090      4.999224
  N      -4.522890     -3.650634      5.414680
  N      -4.925086     -3.030867      6.381309
  H      -4.737578     -3.517907      7.285919
86
Coordinates from ORCA-job orca E -5476.007896703946
  N      -3.715684     -3.412964      2.514384
  C      -3.566041     -4.078014      1.200941
  C      -2.922200     -5.446944      1.323729
  N      -3.606568     -6.228493      2.382803
  C      -4.883001     -6.839268      1.940339
  C      -5.783198     -6.885123      3.163543
  N      -5.846189     -5.525559      3.716553
  Mo     -4.044096     -4.672077      3.973921
  N      -2.304506     -5.461649      4.595174
  C      -1.720298     -6.594805      3.873194
  C      -2.743212     -7.262145      2.992487
  H      -1.322539     -7.342777      4.580490
  H      -0.861088     -6.261964      3.266424
  H      -3.388311     -7.918933      3.590110
  H      -2.263413     -7.875990      2.211489
  H      -6.775477     -7.270220      2.898396
  H      -5.380797     -7.581700      3.917667
  H      -5.332974     -6.196408      1.174508
  H      -4.700731     -7.834599      1.501248
  H      -2.934280     -3.477705      0.532023
  H      -4.552199     -4.157570      0.711766
  H      -1.871759     -5.332551      1.620701
  H      -2.954119     -5.985789      0.362243
  C      -2.048073      0.796316      1.203312
  C      -1.764425     -0.109104      2.152535
  C      -0.990118      0.257179      3.388453
  C      -2.156966     -1.564119      2.012487
  C      -3.632319     -1.918657      2.424856
  C      -4.631820     -1.408729      1.372991
  C      -3.958564     -1.253798      3.756452
  C      -7.221588     -6.094442      6.660987
  C      -8.134317     -5.441106      5.930261
  C      -9.123855     -4.498032      6.554445
  C      -8.239713     -5.646474      4.435819
  C      -7.191059     -4.879320      3.562411
  C      -7.645855     -4.936568      2.088979
  C      -7.162616     -3.409935      3.974884
  C      -3.310124     -4.976699      8.527147
  C      -2.912125     -5.832621      7.568660
  C      -3.799091     -6.962127      7.120834
  C      -1.533612     -5.751828      6.961631
  C      -1.361469     -4.933302      5.643803
  C       0.112298     -5.070998      5.201230
  C      -1.559850     -3.441882      5.922473
  H      -1.765293      1.844821      1.317460
  H      -2.558223      0.523842      0.278079
  H      -1.491200     -0.093222      4.305075
  H      -0.837292      1.342125      3.465506
  H      -0.000073     -0.233793      3.368895
  H      -1.493567     -2.183223      2.637406
  H      -1.996570     -1.868738      0.968512
  H      -4.643397     -0.311206      1.381962
  H      -5.645417     -1.763759      1.606961
  H      -4.371903     -1.732220      0.356666
  H      -5.004771     -1.410550      4.043608
  H      -3.318249     -1.616541      4.568060
  H      -3.796709     -0.173793      3.650936
  H      -6.539468     -6.816183      6.212167
  H      -7.141258     -5.940221      7.739336
  H     -10.138332     -4.926374      6.501425
  H      -9.165370     -3.538002      6.017590
  H      -8.891518     -4.301700      7.609371
  H      -8.179554     -6.721303      4.208535
  H      -9.231755     -5.319152      4.087097
  H      -7.778557     -5.956813      1.706049
  H      -6.929763     -4.405462      1.445553
  H      -8.617052     -4.431303      1.999847
  H      -8.120585     -2.947535      3.698980
  H      -7.017378     -3.274511      5.050513
  H      -6.371017     -2.871187      3.440195
  H      -4.282440     -5.082282      9.013712
  H      -2.654402     -4.184433      8.896050
  H      -4.174238     -6.803712      6.097571
  H      -3.242169     -7.912180      7.109367
  H      -4.669470     -7.073983      7.778083
  H      -0.839620     -5.300963      7.686862
  H      -1.172215     -6.776800      6.774833
  H       0.443546     -6.112916      5.116411
  H       0.748424     -4.587640      5.953370
  H       0.286318     -4.562578      4.241985
  H      -2.536651     -3.204328      6.342470
  H      -0.808974     -3.120986      6.656622
  H      -1.410671     -2.853578      5.005739
  N      -4.515815     -3.647495      5.413586
  N      -4.919828     -3.033939      6.383019
  H      -4.721988     -3.517975      7.288920
86
Coordinates from ORCA-job orca E -5476.007983746624
  N      -3.716262     -3.409137      2.514570
  C      -3.567548     -4.074575      1.199769
  C      -2.923495     -5.444451      1.322356
  N      -3.605652     -6.227232      2.382271
  C      -4.882541     -6.839679      1.940807
  C      -5.783736     -6.884143      3.163242
  N      -5.846056     -5.523713      3.716652
  Mo     -4.043647     -4.668638      3.975817
  N      -2.304277     -5.460466      4.596931
  C      -1.717776     -6.592209      3.872914
  C      -2.740041     -7.260343      2.990876
  H      -1.318903     -7.340126      4.579466
  H      -0.858831     -6.256869      3.266751
  H      -3.384956     -7.918362      3.588100
  H      -2.259369     -7.873458      2.209762
  H      -6.776113     -7.267582      2.896345
  H      -5.382624     -7.581786      3.917060
  H      -5.332349     -6.198561      1.173018
  H      -4.700910     -7.836252      1.504582
  H      -2.935806     -3.475072      0.529954
  H      -4.553719     -4.153251      0.710637
  H      -1.872633     -5.328282      1.618419
  H      -2.954958     -5.983910      0.361027
  C      -2.057844      0.796571      1.196612
  C      -1.768682     -0.105123      2.147870
  C      -0.987022      0.266632      3.378588
  C      -2.159724     -1.561071      2.012632
  C      -3.634116     -1.915582      2.425398
  C      -4.634116     -1.407669      1.373442
  C      -3.962157     -1.252940      3.757927
  C      -7.215324     -6.087971      6.657924
  C      -8.129863     -5.434444      5.929107
  C      -9.117933     -4.490410      6.554416
  C      -8.238240     -5.641822      4.435338
  C      -7.190290     -4.877677      3.559721
  C      -7.645936     -4.940306      2.086621
  C      -7.161908     -3.407126      3.965978
  C      -3.313998     -4.983250      8.526736
  C      -2.914129     -5.841663      7.571754
  C      -3.797475     -6.974796      7.129137
  C      -1.535072     -5.760432      6.964604
  C      -1.361645     -4.937768      5.649202
  C       0.111932     -5.077677      5.207181
  C      -1.557887     -3.446792      5.933711
  H      -1.774930      1.846005      1.305490
  H      -2.573927      0.519139      0.274895
  H      -1.477376     -0.088588      4.299211
  H      -0.841640      1.352590      3.456066
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  H      -1.495844     -2.178355      2.638948
  H      -2.000124     -1.868621      0.968872
  H      -4.648625     -0.309980      1.382855
  H      -5.646728     -1.765614      1.607723
  H      -4.373274     -1.730256      0.356650
  H      -5.007495     -1.413724      4.044015
  H      -3.320216     -1.615056      4.569244
  H      -3.803689     -0.172210      3.654196
  H      -6.533042     -6.808512      6.206303
  H      -7.131975     -5.934299      7.735984
  H     -10.134474     -4.915234      6.498187
  H      -9.155500     -3.527887      6.020964
  H      -8.885967     -4.298433      7.610559
  H      -8.178787     -6.716361      4.210025
  H      -9.230037     -5.314175      4.086580
  H      -7.781525     -5.962459      1.709862
  H      -6.927852     -4.415228      1.440753
  H      -8.615265     -4.432592      1.994308
  H      -8.120528     -2.946270      3.689544
  H      -7.014741     -3.268894      5.040687
  H      -6.370869     -2.868945      3.429344
  H      -4.287256     -5.090432      9.013983
  H      -2.660939     -4.188920      8.893997
  H      -4.175673     -6.820402      6.106120
  H      -3.237276     -7.922825      7.121004
  H      -4.666947     -7.087928      7.788407
  H      -0.841766     -5.311215      7.691563
  H      -1.172832     -6.784396      6.775917
  H       0.442716     -6.119901      5.121860
  H       0.748466     -4.594526      5.959360
  H       0.285240     -4.568681      4.247928
  H      -2.533526     -3.207075      6.355282
  H      -0.805280     -3.131161      6.669033
  H      -1.407161     -2.855028      5.019480
  N      -4.517499     -3.646776      5.415303
  N      -4.924336     -3.037548      6.386069
  H      -4.725952     -3.525890      7.291114
86
Coordinates from ORCA-job orca E -5476.008063620449
  N      -3.723553     -3.404681      2.513018
  C      -3.578348     -4.072103      1.196846
  C      -2.933023     -5.442977      1.318024
  N      -3.606911     -6.228100      2.381488
  C      -4.883582     -6.847009      1.945289
  C      -5.784011     -6.888324      3.168829
  N      -5.848564     -5.525574      3.718662
  Mo     -4.045883     -4.665588      3.976051
  N      -2.303120     -5.453895      4.594442
  C      -1.711472     -6.582007      3.866653
  C      -2.733216     -7.256417      2.987826
  H      -1.305081     -7.327449      4.571164
  H      -0.857072     -6.240351      3.257670
  H      -3.373325     -7.916379      3.588505
  H      -2.252257     -7.868878      2.206391
  H      -6.775605     -7.274225      2.903181
  H      -5.380032     -7.583389      3.923459
  H      -5.335521     -6.211800      1.173650
  H      -4.701014     -7.846316      1.516029
  H      -2.946947     -3.474690      0.524840
  H      -4.565379     -4.148925      0.709149
  H      -1.880765     -5.323197      1.608787
  H      -2.966579     -5.982983      0.356955
  C      -2.041341      0.787375      1.188962
  C      -1.764849     -0.109134      2.148742
  C      -0.996094      0.267251      3.385753
  C      -2.159563     -1.564020      2.017743
  C      -3.635988     -1.911611      2.424885
  C      -4.632296     -1.397779      1.372857
  C      -3.963130     -1.250631      3.759462
  C      -7.215287     -6.079154      6.661867
  C      -8.128958     -5.425670      5.931310
  C      -9.113005     -4.474921      6.551998
  C      -8.239235     -5.640455      4.438559
  C      -7.192669     -4.880579      3.558000
  C      -7.651413     -4.949155      2.085396
  C      -7.163034     -3.406996      3.956164
  C      -3.317082     -4.989235      8.518850
  C      -2.911637     -5.852085      7.570410
  C      -3.787296     -6.992988      7.132770
  C      -1.532057     -5.765897      6.962546
  C      -1.361349     -4.936319      5.650367
  C       0.112117     -5.072131      5.206502
  C      -1.559699     -3.446743      5.942744
  H      -1.756732      1.835827      1.294019
  H      -2.549286      0.504871      0.264594
  H      -1.494874     -0.085241      4.302625
  H      -0.853838      1.353473      3.460277
  H      -0.001280     -0.211636      3.369711
  H      -1.501365     -2.181215      2.649819
  H      -1.996559     -1.876682      0.976226
  H      -4.641849     -0.300186      1.383936
  H      -5.647134     -1.751118      1.606348
  H      -4.372605     -1.719794      0.355665
  H      -5.008182     -1.413171      4.047245
  H      -3.319493     -1.614112      4.568031
  H      -3.805374     -0.169341      3.658303
  H      -6.535397     -6.801944      6.210548
  H      -7.128918     -5.922654      7.739112
  H     -10.134002     -4.890460      6.488031
  H      -9.138276     -3.510055      6.020857
  H      -8.884992     -4.287498      7.610179
  H      -8.178218     -6.715941      4.218040
  H      -9.230751     -5.314513      4.088085
  H      -7.791719     -5.974402      1.716774
  H      -6.931321     -4.431757      1.434668
  H      -8.618119     -4.436693      1.991271
  H      -8.120297     -2.944350      3.677797
  H      -7.013794     -3.266022      5.030421
  H      -6.370695     -2.873013      3.416740
  H      -4.291639     -5.099738      9.004444
  H      -2.670477     -4.187539      8.882367
  H      -4.170197     -6.839677      6.110161
  H      -3.219921     -7.936620      7.125136
  H      -4.654609     -7.112261      7.794486
  H      -0.840590     -5.316585      7.691486
  H      -1.165337     -6.787254      6.770644
  H       0.447003     -6.112975      5.120065
  H       0.748062     -4.585962      5.957596
  H       0.280390     -4.561598      4.246999
  H      -2.534428     -3.207380      6.365284
  H      -0.806726     -3.136265      6.680241
  H      -1.406787     -2.849607      5.032435
  N      -4.522301     -3.647744      5.417689
  N      -4.932609     -3.043515      6.390497
  H      -4.742042     -3.542803      7.291518
86
Coordinates from ORCA-job orca E -5476.008105477897
  N      -3.725127     -3.402073      2.515280
  C      -3.581966     -4.068931      1.198404
  C      -2.937418     -5.440161      1.316423
  N      -3.607995     -6.226727      2.380985
  C      -4.884562     -6.847485      1.946815
  C      -5.783731     -6.888727      3.171739
  N      -5.849887     -5.525594      3.720055
  Mo     -4.047285     -4.664288      3.977750
  N      -2.303629     -5.451704      4.595728
  C      -1.709628     -6.576593      3.863840
  C      -2.730793     -7.253070      2.985755
  H      -1.299289     -7.322031      4.565943
  H      -0.857827     -6.230351      3.253796
  H      -3.368309     -7.914754      3.587752
  H      -2.249543     -7.864105      2.203416
  H      -6.775003     -7.276791      2.907547
  H      -5.377184     -7.582121      3.926520
  H      -5.337242     -6.213667      1.174532
  H      -4.701639     -7.847398      1.519234
  H      -2.950409     -3.471320      0.526524
  H      -4.569896     -4.143768      0.711996
  H      -1.884188     -5.320499      1.603914
  H      -2.973696     -5.978508      0.354504
  C      -2.035950      0.779187      1.175089
  C      -1.762953     -0.108177      2.143538
  C      -0.996396      0.279664      3.378673
  C      -2.158216     -1.563981      2.022645
  C      -3.635371     -1.909135      2.426863
  C      -4.629304     -1.394614      1.373115
  C      -3.964581     -1.247152      3.760640
  C      -7.210199     -6.069813      6.664575
  C      -8.126180     -5.419441      5.933852
  C      -9.110158     -4.467545      6.553083
  C      -8.238965     -5.639101      4.441630
  C      -7.193933     -4.881470      3.557186
  C      -7.653346     -4.956070      2.085218
  C      -7.163708     -3.405638      3.949654
  C      -3.321219     -5.003447      8.518015
  C      -2.912067     -5.865442      7.570501
  C      -3.783383     -7.008961      7.131344
  C      -1.532327     -5.775319      6.962484
  C      -1.363114     -4.937946      5.654807
  C       0.110793     -5.067982      5.210409
  C      -1.563263     -3.450044      5.954308
  H      -1.750074      1.828306      1.270977
  H      -2.541623      0.487522      0.252269
  H      -1.496938     -0.063314      4.297877
  H      -0.853265      1.366671      3.443101
  H      -0.002059     -0.198776      3.369162
  H      -1.502038     -2.176604      2.661149
  H      -1.992571     -1.884362      0.983832
  H      -4.635746     -0.297408      1.382281
  H      -5.644955     -1.744439      1.606386
  H      -4.370395     -1.718524      0.356595
  H      -5.008929     -1.412396      4.049617
  H      -3.319027     -1.607825      4.569047
  H      -3.810873     -0.165376      3.658189
  H      -6.531067     -6.793418      6.213360
  H      -7.121450     -5.910827      7.741453
  H     -10.131373     -4.880661      6.486841
  H      -9.132381     -3.502612      6.022327
  H      -8.884324     -4.280839      7.611648
  H      -8.176285     -6.715481      4.223746
  H      -9.231239     -5.314957      4.091410
  H      -7.794946     -5.983224      1.722240
  H      -6.932721     -4.442947      1.431776
  H      -8.618935     -4.442248      1.989360
  H      -8.120314     -2.942261      3.670213
  H      -7.013051     -3.262275      5.023434
  H      -6.370706     -2.875170      3.407283
  H      -4.295450     -5.117940      9.002328
  H      -2.678269     -4.199499      8.881984
  H      -4.167059     -6.852400      6.109986
  H      -3.212256     -7.950102      7.119667
  H      -4.649984     -7.133570      7.792786
  H      -0.841179     -5.329197      7.693590
  H      -1.164297     -6.794907      6.764666
  H       0.448615     -6.107406      5.119667
  H       0.744963     -4.582852      5.963623
  H       0.277629     -4.552847      4.253170
  H      -2.538133     -3.212289      6.378114
  H      -0.810017     -3.143090      6.693447
  H      -1.409533     -2.848641      5.046866
  N      -4.525115     -3.645992      5.419030
  N      -4.941246     -3.045001      6.391965
  H      -4.753701     -3.549012      7.290625
86
Coordinates from ORCA-job orca E -5476.008167870465
  N      -3.730886     -3.398363      2.516678
  C      -3.593572     -4.065375      1.199383
  C      -2.948436     -5.436562      1.312081
  N      -3.611266     -6.225727      2.380242
  C      -4.886572     -6.852365      1.951039
  C      -5.782595     -6.892265      3.178850
  N      -5.853197     -5.527373      3.721399
  Mo     -4.051251     -4.662225      3.978850
  N      -2.304700     -5.445330      4.596182
  C      -1.705374     -6.562880      3.856718
  C      -2.725228     -7.245918      2.982575
  H      -1.284972     -7.307416      4.553724
  H      -0.859936     -6.206462      3.243603
  H      -3.355543     -7.911247      3.588359
  H      -2.243044     -7.854136      2.198584
  H      -6.772686     -7.287344      2.919989
  H      -5.369203     -7.579632      3.935393
  H      -5.341990     -6.223060      1.176954
  H      -4.700736     -7.853471      1.527467
  H      -2.964547     -3.467270      0.525569
  H      -4.584627     -4.139086      0.718727
  H      -1.893304     -5.316830      1.592193
  H      -2.991129     -5.972214      0.348984
  C      -2.012342      0.760817      1.154776
  C      -1.755446     -0.110259      2.141439
  C      -1.003879      0.296504      3.379577
  C      -2.153161     -1.566850      2.036946
  C      -3.634101     -1.905558      2.429534
  C      -4.619456     -1.385183      1.370585
  C      -3.969542     -1.243180      3.761730
  C      -7.196352     -6.039194      6.672932
  C      -8.119431     -5.400631      5.940911
  C      -9.104090     -4.446306      6.555369
  C      -8.239088     -5.635917      4.451396
  C      -7.198572     -4.886550      3.554821
  C      -7.662043     -4.976804      2.085757
  C      -7.166986     -3.405716      3.930637
  C      -3.324474     -5.033887      8.516549
  C      -2.908852     -5.891040      7.567312
  C      -3.772644     -7.039155      7.122159
  C      -1.530176     -5.790291      6.957400
  C      -1.367316     -4.935955      5.659956
  C       0.107105     -5.050940      5.211961
  C      -1.575829     -3.452265      5.974354
  H      -1.723666      1.810470      1.236148
  H      -2.505923      0.453849      0.230738
  H      -1.519411     -0.024317      4.298015
  H      -0.854123      1.383834      3.424173
  H      -0.012223     -0.187230      3.393710
  H      -1.504486     -2.171700      2.690516
  H      -1.977663     -1.901666      1.004524
  H      -4.614840     -0.287913      1.376175
  H      -5.639278     -1.724248      1.601563
  H      -4.361390     -1.714084      0.355403
  H      -5.014271     -1.409930      4.048959
  H      -3.325200     -1.602656      4.571546
  H      -3.819356     -0.161272      3.659416
  H      -6.517964     -6.765374      6.224937
  H      -7.102101     -5.869493      7.747711
  H     -10.125357     -4.856725      6.486411
  H      -9.122181     -3.482360      6.022667
  H      -8.882113     -4.257976      7.614381
  H      -8.173092     -6.714332      4.243629
  H      -9.233720     -5.317563      4.102395
  H      -7.805133     -6.007788      1.734822
  H      -6.942829     -4.471334      1.424846
  H      -8.627092     -4.462311      1.988199
  H      -8.122897     -2.943428      3.647111
  H      -7.013986     -3.252278      5.002635
  H      -6.372777     -2.885011      3.380211
  H      -4.297113     -5.157421      9.000030
  H      -2.687504     -4.225782      8.882015
  H      -4.157636     -6.873864      6.102655
  H      -3.194587     -7.975833      7.099179
  H      -4.637637     -7.175387      7.783093
  H      -0.837919     -5.351662      7.692009
  H      -1.160093     -6.806098      6.744688
  H       0.450932     -6.087191      5.108696
  H       0.738733     -4.570351      5.970291
  H       0.270027     -4.524055      4.260537
  H      -2.553373     -3.222779      6.396417
  H      -0.826584     -3.149498      6.719294
  H      -1.420113     -2.841491      5.073433
  N      -4.532660     -3.648481      5.422316
  N      -4.955679     -3.052469      6.396496
  H      -4.776652     -3.565170      7.291532
86
Coordinates from ORCA-job orca E -5476.008204735080
  N      -3.730843     -3.397192      2.516486
  C      -3.596024     -4.063214      1.198905
  C      -2.951398     -5.434339      1.309146
  N      -3.612688     -6.223596      2.378800
  C      -4.887466     -6.852169      1.951233
  C      -5.781811     -6.892537      3.180520
  N      -5.854225     -5.527060      3.720641
  Mo     -4.053181     -4.660657      3.979142
  N      -2.306913     -5.443986      4.598782
  C      -1.705225     -6.557024      3.854708
  C      -2.724029     -7.241728      2.980856
  H      -1.280599     -7.302303      4.548468
  H      -0.862329     -6.195160      3.241233
  H      -3.351907     -7.908975      3.587099
  H      -2.240660     -7.848120      2.196183
  H      -6.771413     -7.291389      2.925152
  H      -5.364647     -7.576844      3.937785
  H      -5.344339     -6.223633      1.177497
  H      -4.700069     -7.852953      1.527517
  H      -2.968467     -3.463942      0.524742
  H      -4.588522     -4.136895      0.721102
  H      -1.895354     -5.316442      1.586256
  H      -2.998061     -5.968853      0.345607
  C      -2.000621      0.750431      1.139051
  C      -1.751995     -0.110183      2.136836
  C      -1.011050      0.309329      3.376808
  C      -2.148772     -1.567857      2.043413
  C      -3.631638     -1.904324      2.430262
  C      -4.612721     -1.381397      1.368440
  C      -3.970032     -1.241702      3.761338
  C      -7.183389     -6.018958      6.678221
  C      -8.113227     -5.390649      5.946124
  C      -9.099949     -4.437343      6.558724
  C      -8.237719     -5.634320      4.458140
  C      -7.200994     -4.888164      3.554714
  C      -7.668056     -4.984731      2.087622
  C      -7.168635     -3.405357      3.923539
  C      -3.330019     -5.053520      8.514899
  C      -2.908162     -5.908028      7.565991
  C      -3.765370     -7.060570      7.118072
  C      -1.530449     -5.799382      6.956017
  C      -1.371182     -4.935895      5.664648
  C       0.103779     -5.042459      5.215336
  C      -1.584585     -3.454820      5.987140
  H      -1.712864      1.800818      1.211852
  H      -2.486265      0.433708      0.214301
  H      -1.536847      0.003033      4.293953
  H      -0.857070      1.396169      3.408401
  H      -0.021489     -0.178130      3.407137
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  H      -1.966702     -1.912022      1.015217
  H      -4.602874     -0.284387      1.372266
  H      -5.634328     -1.715429      1.597476
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  H      -5.014904     -1.409015      4.047869
  H      -3.326157     -1.600016      4.572179
  H      -3.821690     -0.159656      3.658230
  H      -6.502718     -6.744035      6.232273
  H      -7.085784     -5.841373      7.751419
  H     -10.120341     -4.849199      6.489604
  H      -9.119058     -3.474492      6.024340
  H      -8.879370     -4.246796      7.617447
  H      -8.170292     -6.713817      4.255241
  H      -9.234192     -5.319370      4.111312
  H      -7.809390     -6.016932      1.739576
  H      -6.952108     -4.478766      1.423157
  H      -8.634904     -4.472628      1.992098
  H      -8.124422     -2.944322      3.638461
  H      -7.014870     -3.246907      4.994366
  H      -6.374274     -2.889364      3.368855
  H      -4.302037     -5.182400      8.997204
  H      -2.697683     -4.241801      8.880483
  H      -4.151460     -6.892031      6.099731
  H      -3.181477     -7.993401      7.088521
  H      -4.628910     -7.204661      7.779055
  H      -0.837599     -5.365363      7.692780
  H      -1.159234     -6.812932      6.734096
  H       0.450357     -6.076943      5.104604
  H       0.733964     -4.565675      5.977215
  H       0.265782     -4.508751      4.267752
  H      -2.564648     -3.230753      6.405937
  H      -0.839431     -3.153728      6.736485
  H      -1.426838     -2.839236      5.090009
  N      -4.537934     -3.647250      5.422153
  N      -4.967914     -3.055587      6.396130
  H      -4.791269     -3.570320      7.290100
86
Coordinates from ORCA-job orca E -5476.008246478691
  N      -3.732623     -3.395796      2.514292
  C      -3.601759     -4.061495      1.196527
  C      -2.956509     -5.432632      1.305495
  N      -3.615179     -6.221157      2.378087
  C      -4.888879     -6.853727      1.953275
  C      -5.780943     -6.893898      3.184117
  N      -5.855918     -5.526891      3.719572
  Mo     -4.056305     -4.658132      3.978157
  N      -2.309892     -5.440675      4.601325
  C      -1.704864     -6.547783      3.852286
  C      -2.722676     -7.235912      2.980443
  H      -1.273721     -7.293262      4.541996
  H      -0.865720     -6.179409      3.237601
  H      -3.347172     -7.904878      3.588008
  H      -2.237942     -7.840998      2.195605
  H      -6.769826     -7.297995      2.934063
  H      -5.358610     -7.573469      3.942827
  H      -5.348791     -6.227061      1.179811
  H      -4.698661     -7.854014      1.529631
  H      -2.977265     -3.461391      0.520426
  H      -4.596134     -4.136748      0.722917
  H      -1.899408     -5.316492      1.578659
  H      -3.008264     -5.967545      0.342473
  C      -1.983766      0.737717      1.126195
  C      -1.745686     -0.112624      2.134975
  C      -1.014468      0.318422      3.376358
  C      -2.143763     -1.570648      2.052425
  C      -3.630127     -1.903019      2.431006
  C      -4.604491     -1.374422      1.365705
  C      -3.972451     -1.242229      3.761704
  C      -7.165520     -5.985154      6.686044
  C      -8.105774     -5.374188      5.952554
  C      -9.097792     -4.423824      6.561032
  C      -8.235754     -5.631942      4.467202
  C      -7.204565     -4.891175      3.553893
  C      -7.676971     -4.998290      2.089720
  C      -7.171103     -3.405469      3.911019
  C      -3.337064     -5.080605      8.510887
  C      -2.904937     -5.930061      7.562080
  C      -3.751721     -7.088705      7.108531
  C      -1.528601     -5.807643      6.953082
  C      -1.376281     -4.932653      5.669038
  C       0.099010     -5.025817      5.217143
  C      -1.598789     -3.455842      6.003064
  H      -1.694691      1.788340      1.190447
  H      -2.462302      0.412283      0.201054
  H      -1.554214      0.032247      4.291629
  H      -0.849017      1.403803      3.392852
  H      -0.030443     -0.178839      3.425660
  H      -1.503999     -2.162749      2.726129
  H      -1.953566     -1.924970      1.029355
  H      -4.586755     -0.277576      1.368885
  H      -5.629086     -1.701410      1.591045
  H      -4.345891     -1.707666      0.352443
  H      -5.018326     -1.409161      4.044909
  H      -3.331492     -1.602147      4.574267
  H      -3.823723     -0.160064      3.660130
  H      -6.478855     -6.707040      6.244121
  H      -7.064655     -5.794613      7.757022
  H     -10.115824     -4.841426      6.494296
  H      -9.122317     -3.464119      6.021520
  H      -8.878366     -4.226416      7.618459
  H      -8.166084     -6.713107      4.273388
  H      -9.234661     -5.323051      4.122311
  H      -7.815305     -6.032122      1.746009
  H      -6.966290     -4.491761      1.420205
  H      -8.646567     -4.490996      1.996406
  H      -8.127581     -2.946947      3.623111
  H      -7.016416     -3.237806      4.980528
  H      -6.376789     -2.896257      3.349672
  H      -4.309262     -5.217022      8.990466
  H      -2.711892     -4.263627      8.877731
  H      -4.139492     -6.915446      6.091340
  H      -3.158970     -8.015603      7.069741
  H      -4.613030     -7.245094      7.769582
  H      -0.836051     -5.377854      7.692633
  H      -1.153565     -6.817460      6.719640
  H       0.451094     -6.057336      5.096864
  H       0.727399     -4.552630      5.982709
  H       0.257612     -4.483390      4.274039
  H      -2.583339     -3.241726      6.418356
  H      -0.858800     -3.155630      6.758476
  H      -1.440862     -2.832904      5.110659
  N      -4.545972     -3.649405      5.423330
  N      -4.980307     -3.063424      6.398556
  H      -4.806071     -3.579627      7.291943
86
Coordinates from ORCA-job orca E -5476.008272945872
  N      -3.732512     -3.395495      2.511561
  C      -3.602320     -4.060769      1.193926
  C      -2.956493     -5.431476      1.304094
  N      -3.615705     -6.218057      2.377701
  C      -4.889044     -6.851657      1.953450
  C      -5.780331     -6.892397      3.184606
  N      -5.855804     -5.524872      3.718375
  Mo     -4.057403     -4.655916      3.977257
  N      -2.311707     -5.438998      4.603444
  C      -1.706040     -6.544455      3.853409
  C      -2.723784     -7.232654      2.981521
  H      -1.273736     -7.290419      4.542045
  H      -0.867246     -6.175118      3.238710
  H      -3.348925     -7.901100      3.588915
  H      -2.238528     -7.838450      2.197549
  H      -6.769124     -7.297557      2.936184
  H      -5.356796     -7.570821      3.943709
  H      -5.350602     -6.224777      1.180998
  H      -4.698005     -7.851184      1.528449
  H      -2.979577     -3.460073      0.516804
  H      -4.596820     -4.138048      0.721008
  H      -1.899298     -5.315837      1.576954
  H      -3.009293     -5.968371      0.342201
  C      -1.976420      0.732985      1.120453
  C      -1.742288     -0.114822      2.132663
  C      -1.015983      0.319023      3.375771
  C      -2.140906     -1.572732      2.053640
  C      -3.628636     -1.902846      2.429657
  C      -4.600646     -1.371744      1.363420
  C      -3.971238     -1.242416      3.760299
  C      -7.160151     -5.973619      6.690953
  C      -8.104047     -5.370244      5.955747
  C      -9.100513     -4.423415      6.562024
  C      -8.234117     -5.632215      4.471196
  C      -7.205706     -4.890957      3.555458
  C      -7.680934     -4.999995      2.092328
  C      -7.173164     -3.405055      3.910472
  C      -3.341383     -5.092256      8.508845
  C      -2.902922     -5.938954      7.560615
  C      -3.742771     -7.101491      7.105225
  C      -1.527043     -5.808667      6.953213
  C      -1.377891     -4.930621      5.670749
  C       0.097068     -5.020766      5.217058
  C      -1.603045     -3.455188      6.008442
  H      -1.687297      1.783546      1.182775
  H      -2.452391      0.405773      0.194582
  H      -1.563153      0.041540      4.289246
  H      -0.844203      1.403040      3.386889
  H      -0.035458     -0.184273      3.434471
  H      -1.503651     -2.162947      2.731317
  H      -1.947649     -1.930920      1.032498
  H      -4.580168     -0.274812      1.366704
  H      -5.626406     -1.696316      1.587540
  H      -4.341711     -1.705695      0.350312
  H      -5.017544     -1.408801      4.042120
  H      -3.331418     -1.602887      4.573654
  H      -3.821144     -0.160184      3.658931
  H      -6.468418     -6.691797      6.251290
  H      -7.060332     -5.778293      7.761170
  H     -10.116867     -4.846104      6.495655
  H      -9.129223     -3.464769      6.020379
  H      -8.882061     -4.222774      7.619202
  H      -8.163612     -6.713602      4.279989
  H      -9.234003     -5.326162      4.126893
  H      -7.814865     -6.033924      1.747486
  H      -6.974640     -4.488927      1.421716
  H      -8.653648     -4.498237      2.001469
  H      -8.130316     -2.948529      3.622432
  H      -7.018786     -3.234978      4.979373
  H      -6.380072     -2.895837      3.347700
  H      -4.314173     -5.232733      8.986773
  H      -2.720417     -4.272757      8.876765
  H      -4.131999     -6.928139      6.088690
  H      -3.144416     -8.024609      7.063546
  H      -4.602516     -7.264499      7.766859
  H      -0.836200     -5.378354      7.694030
  H      -1.148101     -6.816492      6.717147
  H       0.450722     -6.051497      5.094181
  H       0.726003     -4.548385      5.982727
  H       0.253412     -4.476256      4.274760
  H      -2.589257     -3.244225      6.419733
  H      -0.867083     -3.155802      6.767294
  H      -1.443213     -2.829642      5.118682
  N      -4.550049     -3.645471      5.420683
  N      -4.988522     -3.062800      6.395173
  H      -4.815728     -3.578259      7.289232
86
Coordinates from ORCA-job orca E -5476.008308835517
  N      -3.733044     -3.395129      2.507635
  C      -3.602485     -4.060779      1.190514
  C      -2.955970     -5.431419      1.304102
  N      -3.616371     -6.215064      2.378973
  C      -4.889274     -6.849817      1.954695
  C      -5.780345     -6.890655      3.185515
  N      -5.856132     -5.522218      3.717011
  Mo     -4.058816     -4.653406      3.975119
  N      -2.313786     -5.436349      4.605462
  C      -1.707844     -6.541396      3.856255
  C      -2.726048     -7.229937      2.985312
  H      -1.274768     -7.287182      4.544770
  H      -0.869005     -6.173109      3.240832
  H      -3.352914     -7.896219      3.593262
  H      -2.240942     -7.838333      2.203235
  H      -6.769167     -7.295921      2.937883
  H      -5.356691     -7.568337      3.945217
  H      -5.352585     -6.222672      1.183232
  H      -4.697471     -7.848509      1.528253
  H      -2.980705     -3.460576      0.512063
  H      -4.596316     -4.140305      0.716525
  H      -1.899004     -5.315370      1.577812
  H      -3.008296     -5.972005      0.344181
  C      -1.969599      0.729103      1.118746
  C      -1.737230     -0.118531      2.131718
  C      -1.010685      0.315041      3.374976
  C      -2.138462     -1.575657      2.054481
  C      -3.627845     -1.902854      2.428029
  C      -4.597347     -1.368845      1.361193
  C      -3.970876     -1.243686      3.759155
  C      -7.154726     -5.955493      6.697732
  C      -8.104062     -5.364481      5.959064
  C      -9.109313     -4.424181      6.560895
  C      -8.231967     -5.633001      4.475444
  C      -7.207197     -4.890276      3.557413
  C      -7.685800     -5.000165      2.094985
  C      -7.176438     -3.404191      3.911230
  C      -3.348868     -5.105545      8.502661
  C      -2.899824     -5.948778      7.556343
  C      -3.728290     -7.117548      7.097172
  C      -1.523484     -5.806359      6.953636
  C      -1.379254     -4.926664      5.671222
  C       0.094799     -5.011855      5.214646
  C      -1.608728     -3.453033      6.012782
  H      -1.678122      1.779110      1.180261
  H      -2.447202      0.402742      0.193122
  H      -1.564388      0.048635      4.287860
  H      -0.827510      1.396962      3.380969
  H      -0.036449     -0.198483      3.440971
  H      -1.504309     -2.165899      2.734940
  H      -1.943400     -1.936918      1.034682
  H      -4.575263     -0.272075      1.366126
  H      -5.623963     -1.692127      1.583212
  H      -4.337268     -1.702068      0.348110
  H      -5.018127     -1.409413      4.038006
  H      -3.333365     -1.606108      4.573624
  H      -3.817788     -0.161573      3.659476
  H      -6.453531     -6.666784      6.261684
  H      -7.058241     -5.753507      7.767083
  H     -10.121811     -4.857474      6.498248
  H      -9.148143     -3.469150      6.013363
  H      -8.891268     -4.214899      7.616502
  H      -8.158688     -6.714822      4.288620
  H      -9.233096     -5.332203      4.130218
  H      -7.813699     -6.034112      1.747736
  H      -6.985050     -4.482620      1.423623
  H      -8.662541     -4.505983      2.007118
  H      -8.134305     -2.949460      3.622528
  H      -7.023487     -3.231906      4.980181
  H      -6.384719     -2.893610      3.348113
  H      -4.323318     -5.251772      8.976321
  H      -2.735087     -4.281404      8.872722
  H      -4.119254     -6.944147      6.081231
  H      -3.121168     -8.034805      7.052755
  H      -4.586082     -7.291097      7.758898
  H      -0.837991     -5.370840      7.696331
  H      -1.135416     -6.810898      6.718185
  H       0.452575     -6.041088      5.090878
  H       0.724133     -4.537047      5.978519
  H       0.245761     -4.466520      4.271850
  H      -2.596935     -3.246822      6.422734
  H      -0.874974     -3.153548      6.774243
  H      -1.449962     -2.824092      5.124979
  N      -4.554222     -3.644223      5.419575
  N      -4.992012     -3.065905      6.396049
  H      -4.819538     -3.581617      7.290138
86
Coordinates from ORCA-job orca E -5476.008334322431
  N      -3.735628     -3.394730      2.504789
  C      -3.604185     -4.061560      1.188757
  C      -2.956193     -5.431442      1.305467
  N      -3.616893     -6.213255      2.381080
  C      -4.889413     -6.848617      1.956403
  C      -5.781302     -6.888919      3.186428
  N      -5.856982     -5.519917      3.716522
  Mo     -4.060177     -4.651474      3.973953
  N      -2.314610     -5.432339      4.605911
  C      -1.709193     -6.539264      3.859074
  C      -2.727920     -7.228345      2.989206
  H      -1.276788     -7.284123      4.549008
  H      -0.869816     -6.173635      3.242719
  H      -3.356266     -7.892252      3.598200
  H      -2.243681     -7.839383      2.208664
  H      -6.770189     -7.292862      2.937216
  H      -5.359613     -7.566960      3.946865
  H      -5.353077     -6.221721      1.184842
  H      -4.697377     -7.847286      1.530075
  H      -2.983062     -3.462153      0.509005
  H      -4.597340     -4.142945      0.713607
  H      -1.899805     -5.312945      1.580487
  H      -3.006113     -5.974951      0.347103
  C      -1.963893      0.728402      1.123321
  C      -1.732559     -0.122807      2.133512
  C      -1.003825      0.305524      3.377415
  C      -2.137766     -1.578416      2.053383
  C      -3.628040     -1.902791      2.425436
  C      -4.596115     -1.367775      1.357912
  C      -3.971505     -1.242648      3.756127
  C      -7.152592     -5.946435      6.701175
  C      -8.105110     -5.362345      5.960761
  C      -9.116876     -4.427469      6.560379
  C      -8.231028     -5.633897      4.477511
  C      -7.208433     -4.889476      3.558731
  C      -7.688066     -5.000044      2.096538
  C      -7.179919     -3.403648      3.912190
  C      -3.351898     -5.112728      8.499648
  C      -2.897159     -5.952480      7.552982
  C      -3.718450     -7.124793      7.090800
  C      -1.519950     -5.802293      6.953563
  C      -1.379011     -4.922417      5.670297
  C       0.093995     -5.005479      5.210753
  C      -1.610243     -3.449485      6.013675
  H      -1.668981      1.777223      1.187362
  H      -2.443996      0.406424      0.197432
  H      -1.561305      0.044585      4.289832
  H      -0.811600      1.385997      3.383056
  H      -0.034331     -0.216530      3.445873
  H      -1.506068     -2.171802      2.733336
  H      -1.943283     -1.938914      1.033311
  H      -4.574177     -0.270834      1.363535
  H      -5.623065     -1.691150      1.579199
  H      -4.334935     -1.700699      0.344822
  H      -5.019665     -1.406892      4.032573
  H      -3.336310     -1.606094      4.571892
  H      -3.815294     -0.160878      3.656837
  H      -6.445342     -6.652814      6.266742
  H      -7.058927     -5.742321      7.770345
  H     -10.126270     -4.868966      6.500949
  H      -9.163915     -3.474735      6.008957
  H      -8.898396     -4.212264      7.615006
  H      -8.155230     -6.715779      4.292872
  H      -9.232948     -5.336660      4.131269
  H      -7.812843     -6.034183      1.749288
  H      -6.989438     -4.480355      1.425192
  H      -8.666473     -4.509864      2.008717
  H      -8.139311     -2.950812      3.624672
  H      -7.026261     -3.230780      4.981131
  H      -6.390385     -2.890167      3.348526
  H      -4.326889     -5.263934      8.971128
  H      -2.742486     -4.286722      8.872428
  H      -4.110326     -6.951719      6.075221
  H      -3.105962     -8.038367      7.045578
  H      -4.575277     -7.305285      7.752151
  H      -0.839552     -5.360851      7.697429
  H      -1.123884     -6.804214      6.721034
  H       0.454492     -6.033844      5.087230
  H       0.724181     -4.527880      5.972251
  H       0.240110     -4.460423      4.266898
  H      -2.598409     -3.244816      6.424063
  H      -0.876827     -3.150651      6.775639
  H      -1.452403     -2.818564      5.127246
  N      -4.556865     -3.641207      5.417469
  N      -4.993947     -3.065093      6.395087
  H      -4.825539     -3.583866      7.288096
86
Coordinates from ORCA-job orca E -5476.008360685005
  N      -3.736745     -3.394266      2.503105
  C      -3.602407     -4.062952      1.188698
  C      -2.954199     -5.432531      1.309184
  N      -3.616782     -6.212810      2.384614
  C      -4.889165     -6.847258      1.957827
  C      -5.783224     -6.886544      3.186193
  N      -5.858246     -5.517247      3.715900
  Mo     -4.061029     -4.650109      3.972855
  N      -2.315210     -5.428770      4.606662
  C      -1.711114     -6.539700      3.864176
  C      -2.730297     -7.228828      2.994915
  H      -1.281403     -7.283155      4.557241
  H      -0.870133     -6.178530      3.247248
  H      -3.360904     -7.889722      3.605055
  H      -2.247312     -7.842884      2.215972
  H      -6.772135     -7.288112      2.933403
  H      -5.365354     -7.565948      3.947442
  H      -5.351225     -6.220096      1.185487
  H      -4.697515     -7.846278      1.532218
  H      -2.979472     -3.465223      0.508967
  H      -4.594174     -4.144549      0.710408
  H      -1.898747     -5.311419      1.587110
  H      -2.999926     -5.978189      0.351861
  C      -1.962289      0.729489      1.126555
  C      -1.729102     -0.125289      2.133404
  C      -0.996468      0.298485      3.376906
  C      -2.137190     -1.579801      2.050591
  C      -3.627401     -1.902730      2.422627
  C      -4.595489     -1.368993      1.354530
  C      -3.971378     -1.240670      3.752413
  C      -7.149136     -5.935784      6.704036
  C      -8.106376     -5.360466      5.962615
  C      -9.125929     -4.432540      6.560149
  C      -8.230352     -5.634638      4.479452
  C      -7.209877     -4.887505      3.560426
  C      -7.690267     -4.995600      2.097973
  C      -7.183744     -3.402165      3.916599
  C      -3.357905     -5.120551      8.494799
  C      -2.896344     -5.956770      7.548220
  C      -3.709052     -7.133350      7.081838
  C      -1.517326     -5.798599      6.954024
  C      -1.378868     -4.918983      5.669792
  C       0.093098     -4.999684      5.207329
  C      -1.611641     -3.446394      6.014084
  H      -1.664544      1.777437      1.192693
  H      -2.446143      0.411341      0.201006
  H      -1.554804      0.041491      4.289852
  H      -0.797606      1.377609      3.382525
  H      -0.030911     -0.229702      3.445527
  H      -1.506596     -2.176124      2.729100
  H      -1.944648     -1.938913      1.029495
  H      -4.575740     -0.271995      1.360267
  H      -5.621944     -1.694164      1.575966
  H      -4.333315     -1.701530      0.341514
  H      -5.020246     -1.403735      4.027249
  H      -3.337723     -1.604160      4.569354
  H      -3.812891     -0.159429      3.652665
  H      -6.435158     -6.636290      6.270912
  H      -7.058015     -5.729740      7.772959
  H     -10.131014     -4.884559      6.506498
  H      -9.184260     -3.483740      6.003085
  H      -8.905970     -4.208766      7.612729
  H      -8.150502     -6.716587      4.296478
  H      -9.233234     -5.341570      4.132082
  H      -7.813920     -6.029610      1.749602
  H      -6.992097     -4.474497      1.427278
  H      -8.669259     -4.506662      2.010638
  H      -8.143759     -2.950161      3.630360
  H      -7.029940     -3.231135      4.985815
  H      -6.395954     -2.884902      3.354343
  H      -4.333413     -5.277790      8.962941
  H      -2.753997     -4.292017      8.870835
  H      -4.100890     -6.960720      6.066373
  H      -3.090401     -8.042728      7.036518
  H      -4.565676     -7.321795      7.741393
  H      -0.844082     -5.349406      7.699700
  H      -1.111702     -6.797483      6.726080
  H       0.456380     -6.027120      5.084274
  H       0.723774     -4.518796      5.966392
  H       0.234326     -4.455055      4.262420
  H      -2.598836     -3.242608      6.427385
  H      -0.876493     -3.147637      6.774646
  H      -1.456291     -2.814176      5.128006
  N      -4.558020     -3.639607      5.416535
  N      -4.991323     -3.065864      6.397370
  H      -4.825813     -3.590727      7.287403
86
Coordinates from ORCA-job orca E -5476.008382183684
  N      -3.737662     -3.394102      2.502367
  C      -3.600959     -4.065121      1.189767
  C      -2.952872     -5.434324      1.313157
  N      -3.617065     -6.213737      2.388255
  C      -4.889482     -6.846809      1.959693
  C      -5.785758     -6.884404      3.186447
  N      -5.859697     -5.514994      3.716124
  Mo     -4.061536     -4.649084      3.972547
  N      -2.315117     -5.425208      4.606550
  C      -1.712835     -6.540717      3.868514
  C      -2.732378     -7.230189      3.000023
  H      -1.286168     -7.282465      4.565118
  H      -0.870455     -6.183661      3.251214
  H      -3.364184     -7.888863      3.611337
  H      -2.250621     -7.846161      2.221902
  H      -6.774643     -7.283910      2.930186
  H      -5.371725     -7.565029      3.948657
  H      -5.349032     -6.219732      1.185918
  H      -4.698373     -7.846694      1.535797
  H      -2.976121     -3.469008      0.510289
  H      -4.591847     -4.146422      0.709550
  H      -1.898265     -5.311267      1.593435
  H      -2.995155     -5.980821      0.356281
  C      -1.961314      0.732509      1.132455
  C      -1.726769     -0.126667      2.135062
  C      -0.990807      0.291339      3.378464
  C      -2.137031     -1.580223      2.047543
  C      -3.627063     -1.902782      2.419383
  C      -4.595249     -1.371487      1.349933
  C      -3.972588     -1.238152      3.747518
  C      -7.147013     -5.929097      6.704853
  C      -8.107992     -5.359551      5.963713
  C      -9.133089     -4.437372      6.560823
  C      -8.231053     -5.634359      4.480375
  C      -7.211279     -4.885556      3.561595
  C      -7.691036     -4.992111      2.099010
  C      -7.186311     -3.400755      3.919900
  C      -3.360992     -5.126025      8.492022
  C      -2.895372     -5.959061      7.544501
  C      -3.702433     -7.138478      7.074811
  C      -1.515184     -5.795366      6.953510
  C      -1.378344     -4.915728      5.669032
  C       0.093011     -4.994606      5.204172
  C      -1.611817     -3.443190      6.013636
  H      -1.661528      1.779621      1.202155
  H      -2.447571      0.418867      0.206794
  H      -1.549252      0.035129      4.291651
  H      -0.787530      1.369864      3.385937
  H      -0.027383     -0.241191      3.445250
  H      -1.506621     -2.179826      2.723358
  H      -1.946246     -1.935809      1.024976
  H      -4.578459     -0.274413      1.355025
  H      -5.620932     -1.699099      1.571205
  H      -4.331485     -1.703868      0.337365
  H      -5.021956     -1.399846      4.021082
  H      -3.340421     -1.600901      4.565816
  H      -3.813047     -0.157343      3.646394
  H      -6.429131     -6.625692      6.271855
  H      -7.056917     -5.722826      7.773858
  H     -10.134677     -4.897564      6.511533
  H      -9.200179     -3.491249      5.999873
  H      -8.911830     -4.207611      7.612039
  H      -8.148273     -6.716284      4.297847
  H      -9.234416     -5.343654      4.132353
  H      -7.816995     -6.025955      1.751217
  H      -6.990560     -4.473420      1.428970
  H      -8.668500     -4.500431      2.010662
  H      -8.147579     -2.949479      3.636050
  H      -7.030221     -3.231641      4.989186
  H      -6.400161     -2.880953      3.357439
  H      -4.336319     -5.288352      8.958251
  H      -2.760760     -4.295948      8.870525
  H      -4.093777     -6.966512      6.059076
  H      -3.079718     -8.045056      7.029426
  H      -4.559394     -7.332312      7.732453
  H      -0.846979     -5.340698      7.700433
  H      -1.103197     -6.792116      6.728520
  H       0.457532     -6.021481      5.080541
  H       0.724152     -4.512322      5.961991
  H       0.231393     -4.449701      4.259015
  H      -2.597441     -3.239429      6.430588
  H      -0.874105     -3.144057      6.771583
  H      -1.459231     -2.810844      5.127176
  N      -4.557857     -3.636917      5.414926
  N      -4.988127     -3.064671      6.398309
  H      -4.825027     -3.595856      7.285027
86
Coordinates from ORCA-job orca E -5476.008399659724
  N      -3.735586     -3.393918      2.503162
  C      -3.597030     -4.066791      1.191739
  C      -2.950451     -5.436416      1.316771
  N      -3.616847     -6.215542      2.391054
  C      -4.889554     -6.846740      1.960832
  C      -5.787591     -6.882531      3.186268
  N      -5.860289     -5.513144      3.716281
  Mo     -4.060757     -4.648721      3.972722
  N      -2.314458     -5.424109      4.606894
  C      -1.713805     -6.543110      3.872233
  C      -2.733611     -7.232394      3.003826
  H      -1.290177     -7.283817      4.571679
  H      -0.869994     -6.188807      3.255367
  H      -3.366150     -7.890051      3.615600
  H      -2.252355     -7.849023      2.225943
  H      -6.776433     -7.280945      2.927924
  H      -5.376090     -7.564004      3.949127
  H      -5.346350     -6.219497      1.185673
  H      -4.699182     -7.847441      1.538468
  H      -2.969851     -3.472037      0.513166
  H      -4.587403     -4.146940      0.710265
  H      -1.896287     -5.313732      1.598816
  H      -2.991189     -5.982382      0.359583
  C      -1.964728      0.735409      1.131587
  C      -1.727842     -0.124622      2.133098
  C      -0.991501      0.293005      3.376392
  C      -2.136630     -1.578702      2.044448
  C      -3.625766     -1.902759      2.417692
  C      -4.595175     -1.374453      1.347642
  C      -3.971697     -1.236435      3.744847
  C      -7.143806     -5.923912      6.704436
  C      -8.107988     -5.358472      5.964430
  C      -9.135949     -4.439863      6.562066
  C      -8.231606     -5.633049      4.480942
  C      -7.211883     -4.883337      3.562531
  C      -7.691319     -4.987784      2.099851
  C      -7.186943     -3.398905      3.923406
  C      -3.365846     -5.131461      8.489395
  C      -2.896831     -5.962302      7.541551
  C      -3.700148     -7.143172      7.068637
  C      -1.515683     -5.795529      6.953600
  C      -1.378277     -4.915265      5.669882
  C       0.093194     -4.993470      5.204856
  C      -1.611946     -3.442682      6.014557
  H      -1.666314      1.782893      1.202223
  H      -2.451344      0.422038      0.205925
  H      -1.548549      0.035224      4.289846
  H      -0.789967      1.371688      3.384627
  H      -0.027313     -0.238086      3.441743
  H      -1.504528     -2.178324      2.718774
  H      -1.946881     -1.932468      1.020887
  H      -4.580456     -0.277265      1.351272
  H      -5.620140     -1.703889      1.569847
  H      -4.331076     -1.707607      0.335365
  H      -5.020916     -1.397992      4.019187
  H      -3.338996     -1.597721      4.563430
  H      -3.813209     -0.155703      3.641981
  H      -6.423893     -6.618054      6.270943
  H      -7.053058     -5.717141      7.773280
  H     -10.135205     -4.905214      6.516217
  H      -9.208863     -3.495795      5.998467
  H      -8.913421     -4.206064      7.612076
  H      -8.147353     -6.714926      4.297977
  H      -9.235196     -5.342944      4.133163
  H      -7.821008     -6.021228      1.751889
  H      -6.988131     -4.471772      1.430183
  H      -8.666707     -4.491596      2.011438
  H      -8.148267     -2.947547      3.640965
  H      -7.029722     -3.232007      4.992639
  H      -6.401086     -2.878292      3.361490
  H      -4.341408     -5.296963      8.953419
  H      -2.768098     -4.300714      8.870064
  H      -4.089800     -6.971354      6.052264
  H      -3.075037     -8.048124      7.023133
  H      -4.558298     -7.340162      7.723756
  H      -0.850371     -5.339138      7.702014
  H      -1.101237     -6.791353      6.729194
  H       0.457090     -6.020355      5.079965
  H       0.724309     -4.512173      5.963305
  H       0.231976     -4.447698      4.260348
  H      -2.596394     -3.238864      6.434052
  H      -0.872260     -3.142752      6.770134
  H      -1.461471     -2.810966      5.127323
  N      -4.556256     -3.635959      5.414546
  N      -4.983485     -3.064624      6.400230
  H      -4.820250     -3.600437      7.284344
86
Coordinates from ORCA-job orca E -5476.008420892100
  N      -3.731425     -3.394198      2.504506
  C      -3.590980     -4.069370      1.194260
  C      -2.946951     -5.439785      1.321033
  N      -3.616574     -6.218518      2.394035
  C      -4.889853     -6.847029      1.962227
  C      -5.789700     -6.880226      3.186224
  N      -5.860297     -5.510961      3.716785
  Mo     -4.058877     -4.648528      3.973313
  N      -2.312994     -5.423969      4.607099
  C      -1.714776     -6.547195      3.876387
  C      -2.735159     -7.235848      3.007977
  H      -1.295233     -7.286911      4.579189
  H      -0.869090     -6.196129      3.260433
  H      -3.368387     -7.892726      3.619866
  H      -2.254165     -7.852792      2.230200
  H      -6.778631     -7.277515      2.926316
  H      -5.380728     -7.562686      3.949678
  H      -5.343177     -6.219518      1.185368
  H      -4.700693     -7.848785      1.541670
  H      -2.961113     -3.476079      0.516898
  H      -4.580946     -4.148291      0.711918
  H      -1.893094     -5.319281      1.604819
  H      -2.987220     -5.984704      0.363258
  C      -1.971809      0.741353      1.132138
  C      -1.731404     -0.120280      2.131514
  C      -0.994078      0.296302      3.374352
  C      -2.136838     -1.575457      2.040173
  C      -3.624666     -1.903063      2.415808
  C      -4.596156     -1.378999      1.345268
  C      -3.971275     -1.235600      3.741964
  C      -7.141609     -5.921381      6.702856
  C      -8.108156     -5.357953      5.964537
  C      -9.137668     -4.442272      6.563784
  C      -8.232695     -5.630373      4.480728
  C      -7.211799     -4.880258      3.563658
  C      -7.690434     -4.982167      2.100872
  C      -7.185607     -3.396598      3.927738
  C      -3.372015     -5.134775      8.485851
  C      -2.899120     -5.964261      7.538574
  C      -3.698963     -7.146849      7.063093
  C      -1.517040     -5.795174      6.954009
  C      -1.377504     -4.915411      5.670730
  C       0.094488     -4.995094      5.206734
  C      -1.610229     -3.442322      6.013895
  H      -1.676282      1.789615      1.204895
  H      -2.458400      0.428675      0.206383
  H      -1.547732      0.033001      4.288301
  H      -0.797236      1.375941      3.385457
  H      -0.027087     -0.230796      3.435006
  H      -1.501220     -2.174812      2.711451
  H      -1.948192     -1.925372      1.015088
  H      -4.584965     -0.281869      1.347450
  H      -5.619804     -1.711690      1.567925
  H      -4.331043     -1.712452      0.333533
  H      -5.019897     -1.397798      4.017595
  H      -3.337368     -1.594787      4.560447
  H      -3.815561     -0.154750      3.637129
  H      -6.420776     -6.613650      6.268096
  H      -7.049609     -5.715178      7.771757
  H     -10.135156     -4.911767      6.520672
  H      -9.215285     -3.499540      5.998450
  H      -8.913785     -4.205784      7.612919
  H      -8.148916     -6.712013      4.295989
  H      -9.235939     -5.338736      4.133548
  H      -7.826306     -6.014823      1.752779
  H      -6.983039     -4.470673      1.431717
  H      -8.662360     -4.478778      2.012114
  H      -8.147342     -2.944821      3.647900
  H      -7.025958     -3.232677      4.996901
  H      -6.399928     -2.875888      3.365626
  H      -4.348217     -5.302699      8.947330
  H      -2.776438     -4.303038      8.868125
  H      -4.086054     -6.976496      6.045200
  H      -3.071812     -8.050532      7.018572
  H      -4.558966     -7.345645      7.715179
  H      -0.853807     -5.338227      7.703957
  H      -1.101953     -6.790941      6.730014
  H       0.455697     -6.022759      5.080939
  H       0.725913     -4.516287      5.966467
  H       0.236032     -4.449043      4.262894
  H      -2.593146     -3.237719      6.436280
  H      -0.867896     -3.140549      6.765853
  H      -1.462492     -2.812847      5.124660
  N      -4.553433     -3.633891      5.413241
  N      -4.978332     -3.063799      6.400984
  H      -4.813674     -3.603711      7.282606
86
Coordinates from ORCA-job orca E -5476.008436755273
  N      -3.727461     -3.394095      2.505675
  C      -3.586680     -4.070790      1.195912
  C      -2.944644     -5.442183      1.323687
  N      -3.616180     -6.220586      2.395986
  C      -4.889849     -6.847673      1.963798
  C      -5.790347     -6.878599      3.187197
  N      -5.859472     -5.509154      3.717320
  Mo     -4.056714     -4.648256      3.973793
  N      -2.311162     -5.424495      4.607416
  C      -1.714494     -6.549738      3.878766
  C      -2.735695     -7.237974      3.010810
  H      -1.297100     -7.289193      4.583107
  H      -0.867742     -6.200555      3.263276
  H      -3.369258     -7.894330      3.622924
  H      -2.254733     -7.855424      2.233385
  H      -6.779529     -7.275519      2.927620
  H      -5.382080     -7.561264      3.950981
  H      -5.341488     -6.220290      1.185832
  H      -4.701576     -7.850081      1.544373
  H      -2.955581     -3.478523      0.518834
  H      -4.576626     -4.149251      0.713596
  H      -1.890675     -5.324242      1.607849
  H      -2.986014     -5.986515      0.365572
  C      -1.978373      0.744988      1.128904
  C      -1.735535     -0.116102      2.128347
  C      -0.999343      0.302145      3.371262
  C      -2.137241     -1.572558      2.036961
  C      -3.623894     -1.903069      2.415336
  C      -4.597345     -1.381569      1.345326
  C      -3.969547     -1.235544      3.741723
  C      -7.140094     -5.919800      6.701993
  C      -8.107333     -5.356548      5.964500
  C      -9.136738     -4.441547      6.564891
  C      -8.232669     -5.627548      4.480582
  C      -7.210816     -4.877822      3.564305
  C      -7.689214     -4.979089      2.101485
  C      -7.183564     -3.394413      3.929312
  C      -3.378232     -5.139092      8.482938
  C      -2.901837     -5.966818      7.535879
  C      -3.699381     -7.149557      7.057146
  C      -1.518811     -5.796133      6.954862
  C      -1.376626     -4.916430      5.672038
  C       0.095967     -4.998136      5.210198
  C      -1.608649     -3.443121      6.014452
  H      -1.686382      1.794212      1.201972
  H      -2.464008      0.430984      0.203042
  H      -1.550503      0.033974      4.285267
  H      -0.808300      1.382676      3.384069
  H      -0.029316     -0.219804      3.429405
  H      -1.498612     -2.170285      2.706824
  H      -1.949210     -1.921134      1.011209
  H      -4.587014     -0.284301      1.345978
  H      -5.620519     -1.715228      1.569364
  H      -4.332757     -1.716369      0.333720
  H      -5.017498     -1.399076      4.019317
  H      -3.333785     -1.593314      4.559470
  H      -3.816253     -0.154315      3.635799
  H      -6.419123     -6.611357      6.266411
  H      -7.047311     -5.713825      7.770900
  H     -10.133770     -4.912229      6.522865
  H      -9.215849     -3.499155      5.999087
  H      -8.912132     -4.204388      7.613725
  H      -8.150586     -6.709069      4.294586
  H      -9.235439     -5.333887      4.133964
  H      -7.828391     -6.011412      1.753515
  H      -6.979834     -4.470034      1.432270
  H      -8.659313     -4.471960      2.012595
  H      -8.145292     -2.942346      3.650591
  H      -7.023061     -3.231591      4.998354
  H      -6.397648     -2.874405      3.366930
  H      -4.355509     -5.308348      8.941833
  H      -2.783873     -4.307860      8.867792
  H      -4.083349     -6.979329      6.037909
  H      -3.071390     -8.052702      7.013355
  H      -4.561315     -7.349192      7.706346
  H      -0.856796     -5.340257      7.706483
  H      -1.104012     -6.792077      6.730527
  H       0.454767     -6.026610      5.084106
  H       0.727403     -4.521690      5.971355
  H       0.240601     -4.452083      4.266856
  H      -2.591188     -3.238329      6.437455
  H      -0.865465     -3.140287      6.764895
  H      -1.462148     -2.814907      5.124245
  N      -4.551013     -3.633714      5.413354
  N      -4.974169     -3.064312      6.402184
  H      -4.808664     -3.605454      7.283092
86
Coordinates from ORCA-job orca E -5476.008460907200
  N      -3.721782     -3.394475      2.507139
  C      -3.580511     -4.072633      1.197690
  C      -2.941120     -5.445246      1.326593
  N      -3.615301     -6.223105      2.397767
  C      -4.889505     -6.848397      1.965469
  C      -5.790414     -6.876723      3.188449
  N      -5.857422     -5.507149      3.718065
  Mo     -4.053285     -4.648176      3.974821
  N      -2.308264     -5.426224      4.608067
  C      -1.713729     -6.553578      3.881462
  C      -2.736276     -7.240770      3.013884
  H      -1.298922     -7.293304      4.587069
  H      -0.865508     -6.206982      3.266525
  H      -3.370643     -7.896305      3.625975
  H      -2.255228     -7.859280      2.237257
  H      -6.780149     -7.272772      2.929876
  H      -5.382722     -7.559944      3.952214
  H      -5.339622     -6.221004      1.186533
  H      -4.702663     -7.851404      1.546758
  H      -2.948283     -3.481271      0.520914
  H      -4.570252     -4.151140      0.715097
  H      -1.886848     -5.331237      1.610952
  H      -2.984496     -5.989094      0.368126
  C      -1.989372      0.750953      1.126160
  C      -1.742365     -0.109916      2.124892
  C      -1.005406      0.309881      3.366844
  C      -2.138763     -1.568120      2.032909
  C      -3.623779     -1.903407      2.415307
  C      -4.600241     -1.385042      1.346682
  C      -3.968205     -1.237029      3.742492
  C      -7.140380     -5.923101      6.700474
  C      -8.106135     -5.355933      5.963968
  C      -9.133014     -4.439421      6.566321
  C      -8.232315     -5.623419      4.479805
  C      -7.208383     -4.874609      3.565393
  C      -7.686464     -4.974262      2.102275
  C      -7.179287     -3.391940      3.932181
  C      -3.388236     -5.140108      8.477291
  C      -2.906527     -5.967377      7.532355
  C      -3.700987     -7.151207      7.050899
  C      -1.521670     -5.795607      6.957188
  C      -1.374485     -4.918281      5.673361
  C       0.098933     -5.005449      5.215265
  C      -1.604275     -3.444070      6.012588
  H      -1.701752      1.801513      1.199708
  H      -2.474682      0.435631      0.200581
  H      -1.550382      0.031832      4.281745
  H      -0.824252      1.392207      3.383878
  H      -0.029967     -0.203149      3.417819
  H      -1.495636     -2.163924      2.700144
  H      -1.951810     -1.914366      1.006178
  H      -4.591802     -0.287830      1.346150
  H      -5.622479     -1.720577      1.571890
  H      -4.335968     -1.720670      0.335322
  H      -5.014999     -1.403145      4.022378
  H      -3.329937     -1.593272      4.558806
  H      -3.818620     -0.155310      3.636232
  H      -6.421055     -6.615394      6.263382
  H      -7.046845     -5.719092      7.769645
  H     -10.131111     -4.908355      6.524494
  H      -9.210958     -3.496356      6.001504
  H      -8.907188     -4.203733      7.615168
  H      -8.154925     -6.704554      4.290995
  H      -9.233922     -5.324982      4.134001
  H      -7.828804     -6.006068      1.753837
  H      -6.975300     -4.467066      1.433269
  H      -8.654854     -4.463602      2.013400
  H      -8.140922     -2.938905      3.655409
  H      -7.017782     -3.231130      5.001241
  H      -6.393131     -2.872547      3.369754
  H      -4.367454     -5.309799      8.932393
  H      -2.795288     -4.308666      8.864526
  H      -4.080085     -6.983171      6.028999
  H      -3.072142     -8.054011      7.010900
  H      -4.565899     -7.350218      7.696251
  H      -0.861642     -5.340351      7.710942
  H      -1.107139     -6.792291      6.734676
  H       0.453761     -6.035609      5.091127
  H       0.730738     -4.531344      5.977549
  H       0.248478     -4.461380      4.271465
  H      -2.586290     -3.237932      6.436021
  H      -0.859872     -3.139562      6.760881
  H      -1.459191     -2.818480      5.120314
  N      -4.548410     -3.632957      5.412986
  N      -4.972337     -3.066350      6.402765
  H      -4.806241     -3.608640      7.283089
86
Coordinates from ORCA-job orca E -5476.008486240868
  N      -3.717496     -3.394380      2.508024
  C      -3.576633     -4.073928      1.199026
  C      -2.939207     -5.447778      1.329054
  N      -3.614521     -6.224913      2.399936
  C      -4.889090     -6.849351      1.968371
  C      -5.789709     -6.875073      3.191547
  N      -5.855133     -5.505013      3.719588
  Mo     -4.050024     -4.647552      3.975597
  N      -2.305060     -5.427099      4.608534
  C      -1.712150     -6.555469      3.883181
  C      -2.736305     -7.242401      3.017162
  H      -1.298082     -7.295539      4.588999
  H      -0.863305     -6.211236      3.267701
  H      -3.371165     -7.896513      3.630175
  H      -2.255773     -7.862940      2.241761
  H      -6.780186     -7.270278      2.934695
  H      -5.381966     -7.558340      3.955342
  H      -5.338953     -6.222388      1.188807
  H      -4.703518     -7.852792      1.550180
  H      -2.943849     -3.483767      0.521742
  H      -4.566185     -4.152591      0.716108
  H      -1.884478     -5.336757      1.612702
  H      -2.984742     -5.991787      0.370651
  C      -1.998222      0.755209      1.122177
  C      -1.748366     -0.104965      2.120772
  C      -1.011612      0.316627      3.362313
  C      -2.140676     -1.564374      2.029037
  C      -3.624250     -1.903335      2.415300
  C      -4.603573     -1.387309      1.348541
  C      -3.966449     -1.237845      3.743779
  C      -7.143770     -5.929311      6.699851
  C      -8.105671     -5.355354      5.963391
  C      -9.128855     -4.435633      6.567262
  C      -8.231561     -5.619143      4.478723
  C      -7.205375     -4.871500      3.566159
  C      -7.682479     -4.971111      2.102549
  C      -7.175147     -3.389040      3.932656
  C      -3.396918     -5.143266      8.473293
  C      -2.910892     -5.968137      7.528457
  C      -3.703106     -7.151365      7.042459
  C      -1.523909     -5.795091      6.959401
  C      -1.372087     -4.919624      5.674411
  C       0.101885     -5.011696      5.219961
  C      -1.600192     -3.444733      6.011243
  H      -1.714256      1.806692      1.195705
  H      -2.482931      0.438408      0.196805
  H      -1.551211      0.029195      4.277618
  H      -0.840169      1.400531      3.383500
  H      -0.031112     -0.187628      3.407512
  H      -1.494234     -2.158522      2.694462
  H      -1.955076     -1.909811      1.001799
  H      -4.595115     -0.290019      1.346135
  H      -5.625469     -1.722722      1.576086
  H      -4.341006     -1.725083      0.337272
  H      -5.012278     -1.406492      4.026194
  H      -3.325748     -1.593109      4.558688
  H      -3.819337     -0.155570      3.637527
  H      -6.427472     -6.624098      6.261681
  H      -7.050745     -5.728384      7.769695
  H     -10.129057     -4.900236      6.523714
  H      -9.202577     -3.490608      6.004845
  H      -8.902628     -4.203645      7.616993
  H      -8.159027     -6.700038      4.287294
  H      -9.231803     -5.315984      4.133132
  H      -7.824860     -6.002956      1.754267
  H      -6.970955     -4.464103      1.433924
  H      -8.650631     -4.460389      2.012857
  H      -8.136602     -2.935067      3.656430
  H      -7.013831     -3.228526      5.001871
  H      -6.388583     -2.870301      3.370095
  H      -4.377743     -5.313995      8.925209
  H      -2.804625     -4.313562      8.864810
  H      -4.076155     -6.984258      6.017990
  H      -3.074483     -8.054449      7.006587
  H      -4.571435     -7.349292      7.683463
  H      -0.866497     -5.339903      7.715442
  H      -1.108410     -6.791941      6.739205
  H       0.453991     -6.043152      5.098028
  H       0.733775     -4.538945      5.983002
  H       0.255186     -4.469485      4.275562
  H      -2.582501     -3.237456      6.433547
  H      -0.855875     -3.139650      6.759255
  H      -1.455173     -2.820489      5.118110
  N      -4.545863     -3.634275      5.414713
  N      -4.969360     -3.070414      6.405684
  H      -4.801761     -3.612669      7.285836
86
Coordinates from ORCA-job orca E -5403.116237138914
  N      -3.715674     -3.394479      2.508123
  C      -3.575272     -4.074398      1.199489
  C      -2.938691     -5.448731      1.329883
  N      -3.613833     -6.225375      2.401035
  C      -4.888461     -6.849981      1.970765
  C      -5.788221     -6.874437      3.194711
  N      -5.852840     -5.503930      3.721016
  Mo     -4.047816     -4.646808      3.976674
  N      -2.302654     -5.427344      4.609574
  C      -1.710366     -6.555210      3.883749
  C      -2.735635     -7.242353      3.019008
  H      -1.295214     -7.295973      4.588361
  H      -0.861693     -6.212009      3.267169
  H      -3.370711     -7.895210      3.633089
  H      -2.255681     -7.864940      2.244798
  H      -6.779321     -7.268900      2.939421
  H      -5.380107     -7.557564      3.958420
  H      -5.339312     -6.223515      1.191261
  H      -4.703710     -7.853518      1.552432
  H      -2.942662     -3.484760      0.521504
  H      -4.564515     -4.153596      0.715872
  H      -1.883475     -5.339002      1.612297
  H      -2.985734     -5.993241      0.371711
  C      -2.003564      0.756168      1.117787
  C      -1.752371     -0.102084      2.117619
  C      -1.015265      0.322431      3.358157
  C      -2.142228     -1.562198      2.027914
  C      -3.625192     -1.903261      2.415670
  C      -4.605816     -1.387851      1.350220
  C      -3.966522     -1.239111      3.745250
  C      -7.145855     -5.938420      6.699262
  C      -8.102932     -5.354944      5.963798
  C      -9.119392     -4.429001      6.569782
  C      -8.230204     -5.615423      4.478872
  C      -7.202462     -4.869733      3.566930
  C      -7.679234     -4.969827      2.102964
  C      -7.171610     -3.387311      3.932281
  C      -3.406867     -5.144689      8.467679
  C      -2.916255     -5.968365      7.523982
  C      -3.705671     -7.152043      7.034237
  C      -1.526535     -5.794110      6.961930
  C      -1.370294     -4.920384      5.675706
  C       0.104084     -5.016166      5.224368
  C      -1.597030     -3.444942      6.010614
  H      -1.721319      1.808314      1.189383
  H      -2.487811      0.436884      0.192982
  H      -1.548892      0.026247      4.274402
  H      -0.853690      1.408061      3.382741
  H      -0.029739     -0.172721      3.397673
  H      -1.494602     -2.154875      2.693529
  H      -1.956958     -1.908908      1.001086
  H      -4.596268     -0.290576      1.346223
  H      -5.627889     -1.721698      1.579278
  H      -4.344775     -1.727572      0.339218
  H      -5.011717     -1.409803      4.028615
  H      -3.324740     -1.594402      4.559201
  H      -3.820758     -0.156576      3.640220
  H      -6.435235     -6.638201      6.259472
  H      -7.052055     -5.740921      7.769544
  H     -10.123463     -4.885019      6.524151
  H      -9.185468     -3.481291      6.011248
  H      -8.891827     -4.202863      7.620413
  H      -8.163025     -6.696050      4.285105
  H      -9.229429     -5.307361      4.134271
  H      -7.818726     -6.002144      1.754984
  H      -6.969278     -4.460837      1.434490
  H      -8.648915     -4.462345      2.012810
  H      -8.132603     -2.932374      3.655950
  H      -7.010984     -3.226269      5.001590
  H      -6.384921     -2.868944      3.369740
  H      -4.389293     -5.316134      8.916055
  H      -2.815710     -4.315505      8.862619
  H      -4.071672     -6.987363      6.006592
  H      -3.077185     -8.055497      7.005309
  H      -4.577974     -7.348003      7.670373
  H      -0.873079     -5.337467      7.720559
  H      -1.108238     -6.790571      6.745473
  H       0.455159     -6.048362      5.104855
  H       0.735650     -4.543406      5.987715
  H       0.259717     -4.475490      4.279299
  H      -2.579893     -3.236399      6.431452
  H      -0.853258     -3.140303      6.759521
  H      -1.451139     -2.821026      5.117257
  N      -4.546636     -3.635241      5.416183
  N      -4.974542     -3.078439      6.408812
  H      -4.806412     -3.623293      7.287391
86
Coordinates from ORCA-job orca E -5476.008238450871
  N      -3.704350     -3.395656      2.509387
  C      -3.566424     -4.077451      1.202762
  C      -2.935542     -5.454567      1.335001
  N      -3.609998     -6.228077      2.407805
  C      -4.885060     -6.853422      1.985587
  C      -5.779209     -6.870449      3.214435
  N      -5.838239     -5.497406      3.730492
  Mo     -4.033904     -4.642968      3.983488
  N      -2.287813     -5.428844      4.616009
  C      -1.699903     -6.554396      3.887526
  C      -2.732101     -7.242323      3.030182
  H      -1.278933     -7.299508      4.585052
  H      -0.851928     -6.218089      3.264464
  H      -3.368614     -7.887443      3.650639
  H      -2.255983     -7.877172      2.263044
  H      -6.774135     -7.260137      2.968482
  H      -5.369153     -7.553133      3.977431
  H      -5.341962     -6.229586      1.206832
  H      -4.705501     -7.857416      1.566056
  H      -2.934788     -3.490719      0.520800
  H      -4.553704     -4.159801      0.714664
  H      -1.877460     -5.352924      1.610071
  H      -2.991774     -6.002035      0.378247
  C      -2.036953      0.762230      1.093295
  C      -1.777000     -0.085155      2.099664
  C      -1.037258      0.356104      3.333991
  C      -2.151913     -1.549384      2.021305
  C      -3.630915     -1.903480      2.418448
  C      -4.619637     -1.392201      1.360933
  C      -3.966828     -1.246970      3.754435
  C      -7.159686     -5.991846      6.696148
  C      -8.086113     -5.352521      5.966512
  C      -9.061869     -4.390673      6.585002
  C      -8.221035     -5.593196      4.480131
  C      -7.184004     -4.859151      3.572175
  C      -7.658740     -4.962058      2.106168
  C      -7.149726     -3.377092      3.930589
  C      -3.466684     -5.151531      8.431688
  C      -2.948559     -5.968035      7.495360
  C      -3.721481     -7.153454      6.982112
  C      -1.542517     -5.787541      6.976938
  C      -1.358927     -4.924974      5.683349
  C       0.117655     -5.043679      5.251057
  C      -1.576455     -3.446093      6.006431
  H      -1.765150      1.818217      1.153946
  H      -2.518869      0.428761      0.172014
  H      -1.532744      0.008652      4.254992
  H      -0.934194      1.449817      3.380052
  H      -0.024181     -0.083692      3.338899
  H      -1.496814     -2.133502      2.687338
  H      -1.968910     -1.902993      0.996657
  H      -4.604025     -0.295074      1.347081
  H      -5.642526     -1.716889      1.599254
  H      -4.367809     -1.743679      0.351691
  H      -5.007984     -1.429999      4.043826
  H      -3.318258     -1.601834      4.562541
  H      -3.829461     -0.162935      3.656331
  H      -6.483388     -6.720475      6.247109
  H      -7.062491     -5.814544      7.768883
  H     -10.087246     -4.795342      6.527945
  H      -9.082544     -3.428922      6.049159
  H      -8.827382     -4.198768      7.640427
  H      -8.185616     -6.671547      4.272402
  H      -9.213684     -5.256063      4.141396
  H      -7.780640     -5.997058      1.760069
  H      -6.958312     -4.441159      1.438734
  H      -8.637452     -4.474264      2.013174
  H      -8.108080     -2.916643      3.653698
  H      -6.993087     -3.212940      5.000434
  H      -6.362439     -2.860820      3.368126
  H      -4.458962     -5.326562      8.857693
  H      -2.882255     -4.326233      8.847930
  H      -4.043393     -7.002526      5.936255
  H      -3.096036     -8.059532      6.994929
  H      -4.617954     -7.337056      7.587262
  H      -0.913441     -5.322067      7.750899
  H      -1.108182     -6.781744      6.784102
  H       0.461967     -6.080381      5.146417
  H       0.747362     -4.570924      6.016204
  H       0.287670     -4.512663      4.301976
  H      -2.562363     -3.229196      6.418491
  H      -0.835791     -3.144420      6.760599
  H      -1.424982     -2.824439      5.111626
  N      -4.553560     -3.639978      5.422221
  N      -5.008867     -3.127767      6.423626
  H      -4.835203     -3.687879      7.292573
86
Coordinates from ORCA-job orca E -5476.008527335687
  N      -3.713477     -3.395225      2.507969
  C      -3.573888     -4.075414      1.200328
  C      -2.938746     -5.450762      1.331184
  N      -3.612156     -6.226233      2.403655
  C      -4.887100     -6.851162      1.976433
  C      -5.784366     -6.873823      3.202570
  N      -5.847660     -5.502516      3.725847
  Mo     -4.043244     -4.645713      3.978243
  N      -2.297635     -5.427866      4.610585
  C      -1.706153     -6.554106      3.883469
  C      -2.733434     -7.242277      3.021923
  H      -1.287355     -7.296078      4.585022
  H      -0.858405     -6.212850      3.263890
  H      -3.368394     -7.892623      3.638609
  H      -2.255561     -7.868952      2.249623
  H      -6.776842     -7.266483      2.950239
  H      -5.375544     -7.556788      3.965885
  H      -5.340834     -6.225197      1.198054
  H      -4.704098     -7.854545      1.557016
  H      -2.940834     -3.487303      0.521193
  H      -4.562062     -4.154404      0.714088
  H      -1.882591     -5.342137      1.610799
  H      -2.987986     -5.996511      0.373709
  C      -2.015018      0.758441      1.111323
  C      -1.760437     -0.097529      2.111939
  C      -1.021029      0.330721      3.350212
  C      -2.146615     -1.558354      2.024871
  C      -3.628153     -1.903476      2.416160
  C      -4.612123     -1.389488      1.354005
  C      -3.966869     -1.241456      3.748036
  C      -7.161200     -5.972324      6.697011
  C      -8.101196     -5.359507      5.962964
  C      -9.099172     -4.416629      6.573975
  C      -8.228559     -5.608546      4.476270
  C      -7.195354     -4.866044      3.568265
  C      -7.668838     -4.965593      2.102664
  C      -7.163783     -3.383630      3.931819
  C      -3.421034     -5.142150      8.461835
  C      -2.927099     -5.962551      7.516669
  C      -3.716234     -7.143193      7.019080
  C      -1.531959     -5.789819      6.966768
  C      -1.366370     -4.921597      5.676557
  C       0.108642     -5.025791      5.231547
  C      -1.589493     -3.444299      6.005776
  H      -1.735192      1.811440      1.180074
  H      -2.499487      0.435775      0.187822
  H      -1.539981      0.013698      4.268355
  H      -0.881339      1.419754      3.384507
  H      -0.024761     -0.144137      3.375358
  H      -1.497002     -2.149657      2.689795
  H      -1.963452     -1.906985      0.998477
  H      -4.600223     -0.292411      1.346263
  H      -5.634340     -1.719388      1.587371
  H      -4.355527     -1.733530      0.343520
  H      -5.010854     -1.415489      4.033868
  H      -3.322912     -1.597416      4.559932
  H      -3.822292     -0.158584      3.645562
  H      -6.467649     -6.687114      6.253570
  H      -7.067845     -5.786909      7.769442
  H     -10.113539     -4.848254      6.520036
  H      -9.141859     -3.460870      6.027191
  H      -8.870330     -4.208280      7.628079
  H      -8.172391     -6.688404      4.275515
  H      -9.224745     -5.289110      4.132588
  H      -7.799410     -5.998696      1.753729
  H      -6.962267     -4.449967      1.436500
  H      -8.642745     -4.467365      2.010590
  H      -8.123029     -2.925780      3.652631
  H      -7.007034     -3.221211      5.001875
  H      -6.375450     -2.865635      3.371191
  H      -4.405467     -5.313698      8.906161
  H      -2.828374     -4.317497      8.864522
  H      -4.065351     -6.983642      5.984467
  H      -3.092941     -8.050687      7.007482
  H      -4.598295     -7.329616      7.644381
  H      -0.886075     -5.328749      7.729261
  H      -1.108857     -6.786101      6.760222
  H       0.457838     -6.059461      5.118002
  H       0.739340     -4.551810      5.995020
  H       0.268820     -4.488894      4.284808
  H      -2.573921     -3.231348      6.421618
  H      -0.848136     -3.141171      6.758099
  H      -1.439184     -2.821591      5.112081
  N      -4.546523     -3.641443      5.422005
  N      -4.979540     -3.096968      6.418264
  H      -4.799824     -3.642295      7.294855
86
Coordinates from ORCA-job orca E -5476.008558920416
  N      -3.718813     -3.394731      2.505806
  C      -3.578707     -4.074046      1.197945
  C      -2.941387     -5.447762      1.328476
  N      -3.614296     -6.223141      2.401964
  C      -4.888921     -6.848738      1.973201
  C      -5.787396     -6.874150      3.198195
  N      -5.852265     -5.503257      3.723460
  Mo     -4.048504     -4.645003      3.976613
  N      -2.303455     -5.424561      4.610626
  C      -1.710209     -6.551047      3.883373
  C      -2.734991     -7.239576      3.019453
  H      -1.292081     -7.291602      4.586557
  H      -0.862917     -6.206779      3.265328
  H      -3.369358     -7.891902      3.634918
  H      -2.256250     -7.862796      2.245117
  H      -6.778578     -7.268471      2.942596
  H      -5.379549     -7.556779      3.962306
  H      -5.341600     -6.222131      1.194954
  H      -4.703824     -7.851899      1.554185
  H      -2.945932     -3.484877      0.519492
  H      -4.567564     -4.152489      0.713116
  H      -1.886107     -5.335118      1.609819
  H      -2.987458     -5.993726      0.371251
  C      -1.999589      0.751661      1.114696
  C      -1.749964     -0.104907      2.116120
  C      -1.013572      0.321397      3.356450
  C      -2.141601     -1.564156      2.028926
  C      -3.625301     -1.903257      2.414252
  C      -4.604733     -1.386660      1.348308
  C      -3.967115     -1.238170      3.743429
  C      -7.147471     -5.948338      6.699232
  C      -8.100227     -5.356040      5.965478
  C      -9.110230     -4.424610      6.573919
  C      -8.229496     -5.614129      4.480053
  C      -7.201716     -4.869305      3.567455
  C      -7.677275     -4.971212      2.103372
  C      -7.172335     -3.386111      3.930109
  C      -3.411090     -5.148203      8.466375
  C      -2.919343     -5.969566      7.521107
  C      -3.706741     -7.153392      7.028278
  C      -1.528037     -5.793302      6.962600
  C      -1.371697     -4.918417      5.676923
  C       0.102744     -5.011289      5.225344
  C      -1.599216     -3.443258      6.013642
  H      -1.715916      1.803323      1.184270
  H      -2.483267      0.430976      0.190189
  H      -1.546229      0.024253      4.272919
  H      -0.854814      1.407507      3.380831
  H      -0.026806     -0.171280      3.396376
  H      -1.496791     -2.156794      2.697305
  H      -1.955605     -1.914092      1.003375
  H      -4.592304     -0.289385      1.342149
  H      -5.627652     -1.716703      1.579086
  H      -4.345880     -1.728791      0.337515
  H      -5.012660     -1.407838      4.026492
  H      -3.325967     -1.594110      4.557934
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  H      -8.882093     -4.205397      7.625884
  H      -8.162546     -6.694822      4.285320
  H      -9.228916     -5.305263      4.136579
  H      -7.810391     -6.004232      1.755424
  H      -6.969895     -4.458154      1.435831
  H      -8.650113     -4.470356      2.012363
  H      -8.133203     -2.931713      3.651072
  H      -7.012960     -3.222123      4.999409
  H      -6.385617     -2.867886      3.367256
  H      -4.393360     -5.322033      8.913366
  H      -2.821056     -4.319804      8.864286
  H      -4.065476     -6.991692      5.997865
  H      -3.078816     -8.057493      7.007438
  H      -4.583291     -7.346876      7.659220
  H      -0.879184     -5.332974      7.722979
  H      -1.104957     -6.788027      6.748627
  H       0.456386     -6.042340      5.104364
  H       0.733032     -4.537556      5.989206
  H       0.256753     -4.468372      4.281391
  H      -2.583429     -3.234264      6.431813
  H      -0.857904     -3.141015      6.766389
  H      -1.449362     -2.817333      5.122204
  N      -4.550706     -3.635495      5.417264
  N      -4.982735     -3.089335      6.414009
  H      -4.803894     -3.638638      7.288233
86
Coordinates from ORCA-job orca E -5476.008577008382
  N      -3.719894     -3.394922      2.505325
  C      -3.579344     -4.074253      1.197750
  C      -2.941631     -5.447988      1.328566
  N      -3.614049     -6.223379      2.402288
  C      -4.888680     -6.849001      1.973498
  C      -5.786897     -6.874717      3.198607
  N      -5.852013     -5.503931      3.724277
  Mo     -4.048435     -4.645130      3.976091
  N      -2.303302     -5.424393      4.609650
  C      -1.709769     -6.550786      3.882745
  C      -2.734424     -7.239728      3.019218
  H      -1.291195     -7.291022      4.585997
  H      -0.862641     -6.206436      3.264487
  H      -3.368410     -7.892265      3.634813
  H      -2.255940     -7.862677      2.244532
  H      -6.777976     -7.269169      2.942886
  H      -5.378972     -7.557316      3.962673
  H      -5.341615     -6.222244      1.195577
  H      -4.703396     -7.852059      1.554261
  H      -2.946126     -3.485322      0.519460
  H      -4.568003     -4.152355      0.712434
  H      -1.886465     -5.334489      1.610097
  H      -2.987039     -5.994104      0.371447
  C      -2.000042      0.752231      1.116176
  C      -1.750069     -0.105477      2.116550
  C      -1.012001      0.319299      3.356429
  C      -2.142523     -1.564451      2.028293
  C      -3.626263     -1.903390      2.413759
  C      -4.605836     -1.386653      1.348007
  C      -3.968134     -1.238504      3.742930
  C      -7.154012     -5.962616      6.696893
  C      -8.101790     -5.361338      5.963999
  C      -9.106376     -4.425345      6.574243
  C      -8.230774     -5.614720      4.477760
  C      -7.201200     -4.869182      3.567502
  C      -7.675248     -4.968600      2.102740
  C      -7.171774     -3.386290      3.932097
  C      -3.408486     -5.142429      8.469439
  C      -2.920470     -5.963959      7.522310
  C      -3.711512     -7.145507      7.029944
  C      -1.529238     -5.790777      6.962531
  C      -1.371815     -4.917679      5.675756
  C       0.102791     -5.012040      5.224978
  C      -1.598619     -3.441776      6.010286
  H      -1.715576      1.803758      1.186465
  H      -2.484468      0.432655      0.191689
  H      -1.542424      0.019168      4.273305
  H      -0.854986      1.405782      3.382958
  H      -0.024291     -0.171852      3.393226
  H      -1.497793     -2.158101      2.695874
  H      -1.957217     -1.913703      1.002388
  H      -4.593796     -0.289599      1.342097
  H      -5.628476     -1.716811      1.578702
  H      -4.347101     -1.728276      0.337293
  H      -5.013790     -1.407432      4.025652
  H      -3.327504     -1.595325      4.557327
  H      -3.819485     -0.156411      3.638627
  H      -6.455020     -6.672395      6.254364
  H      -7.058477     -5.772507      7.768398
  H     -10.116559     -4.866128      6.523455
  H      -9.157698     -3.472374      6.023660
  H      -8.877878     -4.211031      7.627027
  H      -8.165069     -6.695078      4.280288
  H      -9.229517     -5.303427      4.134514
  H      -7.807367     -6.001099      1.752680
  H      -6.967567     -4.453788      1.436777
  H      -8.648419     -4.468284      2.011779
  H      -8.131756     -2.931128      3.651701
  H      -7.014195     -3.223173      5.001730
  H      -6.384036     -2.867771      3.371184
  H      -4.390233     -5.314891      8.918258
  H      -2.815814     -4.316014      8.867560
  H      -4.067385     -6.985354      5.998279
  H      -3.087000     -8.052116      7.013062
  H      -4.590080     -7.334057      7.659518
  H      -0.879670     -5.330057      7.722073
  H      -1.107743     -6.786433      6.749888
  H       0.455604     -6.043461      5.104894
  H       0.732943     -4.538141      5.988886
  H       0.257856     -4.469887      4.280793
  H      -2.583077     -3.231466      6.426563
  H      -0.858507     -3.139219      6.763822
  H      -1.446740     -2.817115      5.118448
  N      -4.549678     -3.638880      5.419702
  N      -4.979023     -3.092573      6.417486
  H      -4.793777     -3.640396      7.291472
86
Coordinates from ORCA-job orca E -5476.008611052793
  N      -3.722580     -3.395136      2.504252
  C      -3.582209     -4.074175      1.197044
  C      -2.943440     -5.447582      1.327959
  N      -3.613860     -6.222925      2.403008
  C      -4.888465     -6.849341      1.975169
  C      -5.785785     -6.875644      3.200835
  N      -5.851128     -5.504879      3.726344
  Mo     -4.048104     -4.644854      3.975447
  N      -2.303261     -5.423665      4.608834
  C      -1.708441     -6.548727      3.881159
  C      -2.732739     -7.238772      3.018435
  H      -1.287811     -7.288421      4.583723
  H      -0.862332     -6.202770      3.262257
  H      -3.365464     -7.892034      3.634563
  H      -2.254832     -7.860789      2.242701
  H      -6.776748     -7.270547      2.945196
  H      -5.377470     -7.557685      3.965124
  H      -5.342497     -6.222595      1.197953
  H      -4.702538     -7.852168      1.555693
  H      -2.948876     -3.485513      0.518548
  H      -4.570828     -4.151848      0.711570
  H      -1.888345     -5.331925      1.608960
  H      -2.988226     -5.994382      0.371314
  C      -2.000595      0.750331      1.114221
  C      -1.751143     -0.106627      2.115476
  C      -1.013380      0.319122      3.355271
  C      -2.144032     -1.565386      2.028355
  C      -3.627860     -1.903600      2.413646
  C      -4.607447     -1.385988      1.348345
  C      -3.969151     -1.239206      3.743198
  C      -7.162595     -5.987557      6.691898
  C      -8.100622     -5.367925      5.961970
  C      -9.092166     -4.421463      6.577255
  C      -8.231803     -5.613512      4.474679
  C      -7.199534     -4.868720      3.566792
  C      -7.671003     -4.967126      2.101250
  C      -7.169348     -3.385683      3.931237
  C      -3.406606     -5.135648      8.473233
  C      -2.924185     -5.957039      7.522912
  C      -3.721042     -7.134313      7.030001
  C      -1.532514     -5.788923      6.962476
  C      -1.372772     -4.916875      5.675444
  C       0.102411     -5.012069      5.226536
  C      -1.598579     -3.440281      6.008554
  H      -1.715917      1.801863      1.183748
  H      -2.484488      0.429966      0.189634
  H      -1.541197      0.015225      4.272389
  H      -0.861082      1.406215      3.383420
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  H      -1.958983     -1.915843      1.002819
  H      -4.593876     -0.289057      1.341638
  H      -5.630280     -1.714237      1.580335
  H      -4.350487     -1.728440      0.337586
  H      -5.014903     -1.407254      4.026169
  H      -3.328523     -1.597318      4.557152
  H      -3.819089     -0.157268      3.639656
  H      -6.475545     -6.706904      6.246062
  H      -7.064424     -5.804871      7.764510
  H     -10.108560     -4.846737      6.521571
  H      -9.128439     -3.463395      6.034615
  H      -8.862607     -4.219169      7.632152
  H      -8.169144     -6.693312      4.272985
  H      -9.229586     -5.297552      4.133014
  H      -7.800480     -5.999329      1.749529
  H      -6.963318     -4.449994      1.437217
  H      -8.645184     -4.469015      2.009385
  H      -8.128519     -2.929815      3.648259
  H      -7.013261     -3.221365      5.001076
  H      -6.380269     -2.868369      3.371074
  H      -4.387938     -5.305974      8.923831
  H      -2.809790     -4.312995      8.873055
  H      -4.067453     -6.978255      5.994505
  H      -3.103526     -8.045990      7.024254
  H      -4.605807     -7.312033      7.653945
  H      -0.882304     -5.328777      7.721765
  H      -1.113770     -6.785882      6.750800
  H       0.454675     -6.043616      5.106547
  H       0.731591     -4.538441      5.991447
  H       0.259174     -4.469619      4.282893
  H      -2.584137     -3.227980      6.421130
  H      -0.861020     -3.138573      6.765007
  H      -1.441874     -2.816410      5.117024
  N      -4.550579     -3.644661      5.423786
  N      -4.978811     -3.103658      6.424925
  H      -4.779240     -3.650794      7.296788
86
Coordinates from ORCA-job orca E -5476.008638650302
  N      -3.726282     -3.395108      2.502019
  C      -3.586049     -4.074112      1.195153
  C      -2.945742     -5.446719      1.326769
  N      -3.614206     -6.221544      2.403655
  C      -4.888635     -6.849377      1.977062
  C      -5.785077     -6.876192      3.203216
  N      -5.850819     -5.505268      3.727975
  Mo     -4.048337     -4.643832      3.974440
  N      -2.303860     -5.421388      4.608175
  C      -1.707487     -6.545397      3.879926
  C      -2.731320     -7.236721      3.017876
  H      -1.285094     -7.284201      4.582318
  H      -0.862510     -6.197572      3.260555
  H      -3.362688     -7.890848      3.634491
  H      -2.253707     -7.857521      2.241046
  H      -6.775693     -7.272105      2.947683
  H      -5.376220     -7.557246      3.968051
  H      -5.343854     -6.223014      1.200301
  H      -4.701593     -7.852069      1.557795
  H      -2.953308     -3.485436      0.516071
  H      -4.574859     -4.152328      0.710120
  H      -1.890790     -5.328444      1.607373
  H      -2.989824     -5.994976      0.371004
  C      -1.997922      0.747096      1.113228
  C      -1.750019     -0.109150      2.115407
  C      -1.012007      0.317104      3.354836
  C      -2.144532     -1.567417      2.029479
  C      -3.629132     -1.903679      2.412860
  C      -4.607302     -1.384001      1.347143
  C      -3.971014     -1.240091      3.742544
  C      -7.168050     -6.008541      6.688007
  C      -8.098157     -5.373572      5.961255
  C      -9.077383     -4.417598      6.581317
  C      -8.232758     -5.612835      4.473252
  C      -7.199145     -4.868562      3.566420
  C      -7.669086     -4.966749      2.100472
  C      -7.169138     -3.385192      3.930195
  C      -3.407316     -5.130619      8.474090
  C      -2.927381     -5.952251      7.522504
  C      -3.726609     -7.127978      7.029951
  C      -1.535380     -5.786689      6.961969
  C      -1.374474     -4.914434      5.675505
  C       0.101336     -5.008620      5.227909
  C      -1.600507     -3.437631      6.008282
  H      -1.711788      1.798303      1.181975
  H      -2.481662      0.426478      0.188722
  H      -1.540050      0.014429      4.272273
  H      -0.859057      1.404274      3.382032
  H      -0.022393     -0.170449      3.389939
  H      -1.502107     -2.161040      2.699349
  H      -1.958670     -1.919319      1.004680
  H      -4.592300     -0.287228      1.340677
  H      -5.630500     -1.710715      1.578782
  H      -4.350784     -1.726220      0.336396
  H      -5.017004     -1.407141      4.024708
  H      -3.331003     -1.599551      4.556416
  H      -3.819711     -0.158351      3.639982
  H      -6.491659     -6.736098      6.239197
  H      -7.066367     -5.831499      7.761227
  H     -10.099251     -4.828927      6.522407
  H      -9.100661     -3.455772      6.045255
  H      -8.846133     -4.225294      7.637470
  H      -8.172473     -6.692178      4.267911
  H      -9.230148     -5.293160      4.133906
  H      -7.796001     -5.998837      1.747447
  H      -6.961869     -4.447363      1.437612
  H      -8.644443     -4.470800      2.008281
  H      -8.127888     -2.929809      3.645089
  H      -7.014042     -3.219434      4.999832
  H      -6.379436     -2.868733      3.370167
  H      -4.388532     -5.300416      8.925159
  H      -2.808821     -4.309837      8.875288
  H      -4.062688     -6.978006      5.990070
  H      -3.113971     -8.043084      7.037148
  H      -4.617868     -7.296283      7.647086
  H      -0.885013     -5.327200      7.721512
  H      -1.118372     -6.784347      6.750145
  H       0.454035     -6.039892      5.107517
  H       0.729331     -4.534852      5.993722
  H       0.258822     -4.465478      4.284884
  H      -2.587465     -3.224411      6.416820
  H      -0.866067     -3.136701      6.768132
  H      -1.438705     -2.813941      5.117497
  N      -4.554124     -3.647906      5.425728
  N      -4.982707     -3.116106      6.431545
  H      -4.768927     -3.665557      7.299479
86
Coordinates from ORCA-job orca E -5476.008664958042
  N      -3.728935     -3.395044      2.500265
  C      -3.589275     -4.073832      1.193381
  C      -2.947805     -5.445683      1.325462
  N      -3.614655     -6.220011      2.404043
  C      -4.889066     -6.848927      1.978740
  C      -5.784561     -6.875979      3.205378
  N      -5.850126     -5.505015      3.729372
  Mo     -4.047655     -4.643066      3.973637
  N      -2.303934     -5.419970      4.607587
  C      -1.706532     -6.543330      3.878706
  C      -2.730256     -7.235027      3.016830
  H      -1.283449     -7.281569      4.581192
  H      -0.862280     -6.194036      3.259289
  H      -3.360573     -7.890247      3.633398
  H      -2.252861     -7.854269      2.238681
  H      -6.775083     -7.272529      2.950149
  H      -5.375152     -7.556297      3.970570
  H      -5.345234     -6.222853      1.202321
  H      -4.701230     -7.851513      1.559700
  H      -2.957600     -3.484793      0.513647
  H      -4.578513     -4.152837      0.709366
  H      -1.892906     -5.325559      1.605570
  H      -2.991837     -5.995415      0.370595
  C      -1.997670      0.744613      1.111018
  C      -1.750271     -0.110493      2.114376
  C      -1.013021      0.317176      3.353770
  C      -2.145121     -1.568721      2.030192
  C      -3.629917     -1.903791      2.412911
  C      -4.607743     -1.382321      1.347640
  C      -3.971058     -1.241147      3.743266
  C      -7.173494     -6.026060      6.684000
  C      -8.096231     -5.377847      5.959981
  C      -9.065538     -4.415064      6.584940
  C      -8.233116     -5.611132      4.471379
  C      -7.198124     -4.867516      3.565664
  C      -7.666349     -4.966467      2.099362
  C      -7.167607     -3.383863      3.928462
  C      -3.409038     -5.123465      8.472825
  C      -2.930382     -5.947528      7.522356
  C      -3.731127     -7.123080      7.032256
  C      -1.538049     -5.785429      6.961767
  C      -1.375319     -4.913304      5.675830
  C       0.101086     -5.007746      5.229820
  C      -1.600555     -3.436140      6.007962
  H      -1.711296      1.795736      1.178900
  H      -2.481177      0.423205      0.186603
  H      -1.542696      0.017888      4.271247
  H      -0.858155      1.403903      3.378534
  H      -0.024494     -0.172144      3.391486
  H      -1.503377     -2.161466      2.701509
  H      -1.958598     -1.922110      1.005983
  H      -4.591754     -0.285503      1.341812
  H      -5.631180     -1.708353      1.579598
  H      -4.351979     -1.724093      0.336424
  H      -5.017073     -1.407652      4.025813
  H      -3.330574     -1.601419      4.556514
  H      -3.819052     -0.159419      3.641279
  H      -6.505687     -6.759865      6.232485
  H      -7.069414     -5.854613      7.757875
  H     -10.091535     -4.815086      6.522642
  H      -9.078084     -3.449315      6.055568
  H      -8.833556     -4.232454      7.642690
  H      -8.175190     -6.689919      4.262683
  H      -9.229990     -5.288195      4.133807
  H      -7.792063     -5.998587      1.746224
  H      -6.958860     -4.446642      1.437322
  H      -8.641986     -4.471389      2.006014
  H      -8.126716     -2.928878      3.642886
  H      -7.011569     -3.216888      4.997921
  H      -6.377971     -2.868468      3.367200
  H      -4.390427     -5.292061      8.923936
  H      -2.809471     -4.303335      8.874072
  H      -4.055255     -6.981565      5.987375
  H      -3.123473     -8.041399      7.055438
  H      -4.629671     -7.280612      7.641453
  H      -0.886673     -5.327705      7.721491
  H      -1.123949     -6.784241      6.749538
  H       0.453654     -6.039087      5.110065
  H       0.728176     -4.533597      5.996120
  H       0.259643     -4.464970      4.286838
  H      -2.588964     -3.221146      6.412228
  H      -0.869051     -3.136300      6.771261
  H      -1.433006     -2.812918      5.117870
  N      -4.557650     -3.650151      5.426796
  N      -4.986263     -3.130040      6.438571
  H      -4.757835     -3.683306      7.301435
86
Coordinates from ORCA-job orca E -5476.008687371868
  N      -3.732864     -3.394481      2.498854
  C      -3.593902     -4.073235      1.191744
  C      -2.950430     -5.444111      1.323813
  N      -3.615429     -6.219033      2.403453
  C      -4.889244     -6.850121      1.979337
  C      -5.784128     -6.876956      3.206365
  N      -5.850620     -5.505737      3.728700
  Mo     -4.048006     -4.643113      3.972286
  N      -2.303796     -5.417509      4.605910
  C      -1.705253     -6.540336      3.876655
  C      -2.728879     -7.233010      3.015276
  H      -1.281591     -7.277944      4.579394
  H      -0.861705     -6.189784      3.257134
  H      -3.357837     -7.889400      3.632016
  H      -2.251145     -7.850930      2.236279
  H      -6.774268     -7.275220      2.952253
  H      -5.373090     -7.555775      3.972062
  H      -5.346412     -6.225555      1.202302
  H      -4.699972     -7.852892      1.561430
  H      -2.964340     -3.483175      0.511011
  H      -4.583903     -4.154175      0.709609
  H      -1.895518     -5.322483      1.603215
  H      -2.994750     -5.994703      0.369442
  C      -1.993023      0.741412      1.112156
  C      -1.748413     -0.113197      2.116536
  C      -1.011957      0.314319      3.356372
  C      -2.145539     -1.570940      2.033079
  C      -3.631330     -1.903584      2.413372
  C      -4.607028     -1.379224      1.347406
  C      -3.973253     -1.242156      3.744118
  C      -7.174168     -6.032591      6.682211
  C      -8.094009     -5.378767      5.959660
  C      -9.057138     -4.411083      6.586682
  C      -8.233448     -5.610850      4.471277
  C      -7.198828     -4.868468      3.564301
  C      -7.667738     -4.969842      2.098432
  C      -7.168210     -3.384364      3.925067
  C      -3.408428     -5.119574      8.472314
  C      -2.930508     -5.944941      7.522504
  C      -3.732093     -7.120548      7.034613
  C      -1.538770     -5.784476      6.960112
  C      -1.376065     -4.910942      5.675350
  C       0.100710     -5.004058      5.230115
  C      -1.602293     -3.434157      6.008230
  H      -1.704565      1.791982      1.179624
  H      -2.476367      0.420360      0.187602
  H      -1.547680      0.024413      4.273375
  H      -0.847831      1.399796      3.376223
  H      -0.027848     -0.183302      3.400381
  H      -1.505668     -2.163793      2.706053
  H      -1.957470     -1.925469      1.009569
  H      -4.590344     -0.282365      1.343775
  H      -5.631000     -1.705285      1.576991
  H      -4.349698     -1.719139      0.335902
  H      -5.019633     -1.408182      4.025365
  H      -3.333636     -1.603488      4.557550
  H      -3.820641     -0.160419      3.643154
  H      -6.510747     -6.769825      6.229631
  H      -7.067476     -5.862277      7.755877
  H     -10.085577     -4.804862      6.524545
  H      -9.064597     -3.444403      6.059340
  H      -8.823358     -4.231815      7.644443
  H      -8.177090     -6.689537      4.261853
  H      -9.230464     -5.286454      4.135198
  H      -7.793813     -6.002537      1.747048
  H      -6.960536     -4.451183      1.435033
  H      -8.643344     -4.474499      2.004821
  H      -8.127662     -2.930319      3.639823
  H      -7.011188     -3.216086      4.993948
  H      -6.379086     -2.869867      3.362354
  H      -4.389479     -5.288166      8.924369
  H      -2.808361     -4.299772      8.873256
  H      -4.047212     -6.984691      5.986215
  H      -3.128013     -8.040919      7.068862
  H      -4.635809     -7.270660      7.637821
  H      -0.884949     -5.329884      7.719596
  H      -1.127565     -6.784028      6.745363
  H       0.454240     -6.035153      5.110935
  H       0.727004     -4.529002      5.996446
  H       0.259130     -4.461678      4.286884
  H      -2.592071     -3.219406      6.409294
  H      -0.873311     -3.134973      6.774278
  H      -1.431263     -2.810243      5.119242
  N      -4.562225     -3.652293      5.426173
  N      -4.990025     -3.138644      6.441275
  H      -4.756555     -3.695496      7.301231
86
Coordinates from ORCA-job orca E -5476.008724406525
  N      -3.735308     -3.394112      2.499028
  C      -3.596726     -4.072225      1.190958
  C      -2.952125     -5.442590      1.322023
  N      -3.616282     -6.219235      2.401451
  C      -4.889648     -6.851655      1.977759
  C      -5.784091     -6.878011      3.205058
  N      -5.850959     -5.506894      3.726011
  Mo     -4.047121     -4.645359      3.970277
  N      -2.303017     -5.418305      4.603042
  C      -1.704299     -6.541403      3.873728
  C      -2.728220     -7.233203      3.011694
  H      -1.282387     -7.279194      4.577221
  H      -0.860309     -6.190820      3.255097
  H      -3.356448     -7.891348      3.627310
  H      -2.249881     -7.849097      2.231449
  H      -6.774214     -7.277487      2.952522
  H      -5.371049     -7.555794      3.970704
  H      -5.347077     -6.228417      1.199760
  H      -4.699478     -7.854642      1.560919
  H      -2.969241     -3.480421      0.510012
  H      -4.587445     -4.154837      0.710642
  H      -1.897096     -5.321226      1.601055
  H      -2.997406     -5.993018      0.367534
  C      -1.994579      0.742043      1.116803
  C      -1.749593     -0.113444      2.120316
  C      -1.012664      0.312664      3.360305
  C      -2.147437     -1.571166      2.036041
  C      -3.633130     -1.903573      2.416138
  C      -4.608785     -1.377029      1.351056
  C      -3.974205     -1.244488      3.748369
  C      -7.177325     -6.039027      6.678020
  C      -8.094199     -5.380563      5.956249
  C      -9.053718     -4.410647      6.585439
  C      -8.233809     -5.610461      4.467859
  C      -7.198654     -4.868913      3.560988
  C      -7.667609     -4.972029      2.095263
  C      -7.166560     -3.384946      3.921429
  C      -3.404254     -5.103570      8.471261
  C      -2.929377     -5.936326      7.526071
  C      -3.734478     -7.113135      7.047773
  C      -1.539161     -5.783273      6.958342
  C      -1.375171     -4.911320      5.673062
  C       0.101788     -5.007247      5.229041
  C      -1.599915     -3.433866      6.003135
  H      -1.705029      1.792203      1.185147
  H      -2.479657      0.422540      0.192541
  H      -1.556667      0.037439      4.276698
  H      -0.833348      1.395411      3.373094
  H      -0.036314     -0.198362      3.413148
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  H      -5.632554     -1.706489      1.578020
  H      -4.349052     -1.712825      0.338430
  H      -5.020560     -1.411126      4.029781
  H      -3.333966     -1.606524      4.560965
  H      -3.822066     -0.162494      3.648608
  H      -6.516014     -6.777638      6.224482
  H      -7.069813     -5.870911      7.751895
  H     -10.083340     -4.801353      6.524084
  H      -9.059118     -3.443004      6.059789
  H      -8.818397     -4.233805      7.643297
  H      -8.179746     -6.688866      4.256957
  H      -9.230365     -5.284149      4.132125
  H      -7.796980     -6.005282      1.746470
  H      -6.958983     -4.457144      1.430393
  H      -8.641385     -4.473305      2.000473
  H      -8.126969     -2.930664      3.639421
  H      -7.006434     -3.217531      4.990087
  H      -6.378562     -2.870882      3.356709
  H      -4.384257     -5.268684      8.927036
  H      -2.802014     -4.282469      8.866672
  H      -4.036441     -6.989517      5.994021
  H      -3.137374     -8.037189      7.102056
  H      -4.645628     -7.248198      7.643124
  H      -0.878668     -5.334228      7.715371
  H      -1.135634     -6.785654      6.741503
  H       0.454642     -6.039196      5.114554
  H       0.728206     -4.529594      5.993609
  H       0.261065     -4.469289      4.283383
  H      -2.590999     -3.216710      6.399788
  H      -0.873377     -3.134852      6.771702
  H      -1.423903     -2.811329      5.114088
  N      -4.565893     -3.657324      5.425508
  N      -4.987669     -3.147690      6.444765
  H      -4.746176     -3.706140      7.302445
86
Coordinates from ORCA-job orca E -5476.008752992229
  N      -3.738248     -3.393451      2.500217
  C      -3.599834     -4.071312      1.191583
  C      -2.953742     -5.441259      1.321058
  N      -3.617144     -6.220614      2.399114
  C      -4.889610     -6.854482      1.975331
  C      -5.784303     -6.879765      3.202670
  N      -5.852365     -5.508446      3.721728
  Mo     -4.047412     -4.648044      3.968780
  N      -2.301972     -5.418614      4.599851
  C      -1.703496     -6.541902      3.870609
  C      -2.727730     -7.233714      3.008782
  H      -1.282476     -7.280024      4.574282
  H      -0.859227     -6.191917      3.252149
  H      -3.355269     -7.892678      3.624167
  H      -2.248841     -7.849087      2.228402
  H      -6.774222     -7.280671      2.951781
  H      -5.369294     -7.556222      3.968504
  H      -5.346980     -6.233379      1.195586
  H      -4.698562     -7.858038      1.560261
  H      -2.974278     -3.477988      0.510330
  H      -4.591105     -4.155577      0.712707
  H      -1.898609     -5.320457      1.599827
  H      -2.999500     -5.990184      0.365649
  C      -1.992632      0.742898      1.123775
  C      -1.748818     -0.114753      2.125679
  C      -1.011067      0.307778      3.366269
  C      -2.149146     -1.571882      2.039048
  C      -3.635198     -1.903246      2.418624
  C      -4.610035     -1.374702      1.353666
  C      -3.976270     -1.245759      3.751734
  C      -7.178425     -6.039532      6.674675
  C      -8.095794     -5.381733      5.952722
  C      -9.055276     -4.411446      6.581536
  C      -8.235063     -5.612107      4.464539
  C      -7.199939     -4.870838      3.557286
  C      -7.669805     -4.975164      2.091845
  C      -7.167841     -3.387191      3.917921
  C      -3.392633     -5.093037      8.476698
  C      -2.924517     -5.929188      7.531316
  C      -3.736127     -7.103894      7.060272
  C      -1.536911     -5.782727      6.955431
  C      -1.373867     -4.910972      5.669926
  C       0.102803     -5.008047      5.225618
  C      -1.598990     -3.433537      5.998701
  H      -1.700552      1.792298      1.193636
  H      -2.479399      0.426224      0.199503
  H      -1.563055      0.045640      4.281653
  H      -0.816467      1.387798      3.373889
  H      -0.042541     -0.216764      3.426768
  H      -1.509598     -2.166644      2.710522
  H      -1.960639     -1.923985      1.014684
  H      -4.597914     -0.277544      1.359078
  H      -5.633534     -1.707791      1.576674
  H      -4.346751     -1.705872      0.340388
  H      -5.022789     -1.412771      4.032403
  H      -3.336592     -1.608772      4.564190
  H      -3.824125     -0.163622      3.653254
  H      -6.516425     -6.777585      6.221073
  H      -7.070623     -5.871119      7.748436
  H     -10.084764     -4.803294      6.522925
  H      -9.062824     -3.444946      6.053960
  H      -8.817994     -4.232170      7.638502
  H      -8.182484     -6.690517      4.253531
  H      -9.231397     -5.284889      4.128585
  H      -7.802113     -6.009033      1.745619
  H      -6.960359     -4.463461      1.425130
  H      -8.642187     -4.473559      1.996656
  H      -8.128846     -2.933065      3.638997
  H      -7.006261     -3.221177      4.986269
  H      -6.381015     -2.872116      3.352648
  H      -4.370391     -5.254978      8.938771
  H      -2.786023     -4.273464      8.867648
  H      -4.030358     -6.987281      6.003615
  H      -3.146356     -8.031863      7.125926
  H      -4.651339     -7.226775      7.651881
  H      -0.868728     -5.339547      7.709173
  H      -1.140458     -6.787278      6.735262
  H       0.455887     -6.040419      5.114340
  H       0.729698     -4.528254      5.988411
  H       0.261623     -4.473155      4.278032
  H      -2.590635     -3.216348      6.394228
  H      -0.873028     -3.134026      6.767733
  H      -1.422802     -2.811126      5.109493
  N      -4.567894     -3.661028      5.424095
  N      -4.984207     -3.146371      6.442716
  H      -4.746370     -3.703733      7.302219
86
Coordinates from ORCA-job orca E -5476.008777461023
  N      -3.736385     -3.394051      2.503057
  C      -3.596600     -4.070939      1.193713
  C      -2.952072     -5.442036      1.321074
  N      -3.617312     -6.223644      2.396326
  C      -4.889927     -6.855673      1.970766
  C      -5.785375     -6.880454      3.197869
  N      -5.852979     -5.509455      3.717410
  Mo     -4.046783     -4.651866      3.967846
  N      -2.301233     -5.423773      4.597624
  C      -1.704709     -6.548151      3.868994
  C      -2.729421     -7.237898      3.006117
  H      -1.285996     -7.287675      4.572659
  H      -0.858946     -6.200620      3.251195
  H      -3.358202     -7.896663      3.620456
  H      -2.250450     -7.853844      2.226184
  H      -6.775769     -7.280476      2.947350
  H      -5.370232     -7.557710      3.962935
  H      -5.345822     -6.234241      1.190369
  H      -4.700101     -7.859424      1.555614
  H      -2.969724     -3.477065      0.514180
  H      -4.587206     -4.153749      0.713173
  H      -1.896744     -5.324231      1.600414
  H      -2.998281     -5.988050      0.363929
  C      -2.000314      0.749491      1.133373
  C      -1.752228     -0.111889      2.130951
  C      -1.010917      0.306260      3.370826
  C      -2.151560     -1.569059      2.039891
  C      -3.636360     -1.903616      2.421979
  C      -4.613706     -1.376327      1.358756
  C      -3.976253     -1.248098      3.756444
  C      -7.182353     -6.040633      6.670248
  C      -8.100605     -5.384915      5.947439
  C      -9.064246     -4.418355      6.575554
  C      -8.236585     -5.613645      4.458712
  C      -7.199773     -4.871125      3.554009
  C      -7.668642     -4.972652      2.087886
  C      -7.166935     -3.388638      3.918675
  C      -3.382108     -5.071741      8.478950
  C      -2.921019     -5.916489      7.537692
  C      -3.739422     -7.091120      7.078344
  C      -1.535345     -5.780280      6.954766
  C      -1.371132     -4.914333      5.665497
  C       0.104964     -5.017784      5.221195
  C      -1.592452     -3.435020      5.987617
  H      -1.708397      1.798737      1.205990
  H      -2.490523      0.436113      0.209823
  H      -1.564734      0.049180      4.286421
  H      -0.808360      1.384695      3.377517
  H      -0.046491     -0.225299      3.432188
  H      -1.509568     -2.165711      2.707295
  H      -1.965118     -1.916893      1.013742
  H      -4.606169     -0.279028      1.367392
  H      -5.635995     -1.714401      1.580526
  H      -4.348530     -1.703744      0.344619
  H      -5.022064     -1.417070      4.038697
  H      -3.334954     -1.611139      4.567555
  H      -3.825891     -0.165647      3.659039
  H      -6.517313     -6.775847      6.216653
  H      -7.077036     -5.873385      7.744478
  H     -10.091943     -4.815354      6.518650
  H      -9.076896     -3.452725      6.046062
  H      -8.826671     -4.236001      7.632110
  H      -8.185279     -6.691776      4.246192
  H      -9.231934     -5.285089      4.121187
  H      -7.803332     -6.006288      1.741513
  H      -6.957506     -4.462478      1.421763
  H      -8.639502     -4.468255      1.992171
  H      -8.128168     -2.932753      3.643227
  H      -7.004257     -3.226656      4.987641
  H      -6.380626     -2.871492      3.354619
  H      -4.358058     -5.226713      8.947043
  H      -2.770786     -4.251362      8.861289
  H      -4.027024     -6.985369      6.018725
  H      -3.156768     -8.022565      7.158367
  H      -4.658104     -7.199801      7.667192
  H      -0.860570     -5.339480      7.704116
  H      -1.145738     -6.788021      6.736648
  H       0.455624     -6.051724      5.116375
  H       0.733434     -4.535115      5.980932
  H       0.265062     -4.489077      4.270327
  H      -2.583499     -3.213893      6.382255
  H      -0.865741     -3.133929      6.755304
  H      -1.415725     -2.816431      5.095850
  N      -4.565041     -3.666122      5.424522
  N      -4.973142     -3.148062      6.444739
  H      -4.731804     -3.703660      7.304353
86
Coordinates from ORCA-job orca E -5476.009597304888
  N      -3.740729     -3.387914      2.493980
  C      -3.577931     -4.069257      1.189395
  C      -2.937737     -5.441284      1.331084
  N      -3.626534     -6.220177      2.392992
  C      -4.896512     -6.844078      1.946711
  C      -5.809748     -6.867823      3.161570
  N      -5.878408     -5.497632      3.685216
  Mo     -4.074684     -4.642221      3.956959
  N      -2.337471     -5.418813      4.609501
  C      -1.737162     -6.547609      3.890865
  C      -2.755785     -7.237486      3.021032
  H      -1.326097     -7.286064      4.600275
  H      -0.885147     -6.205080      3.278557
  H      -3.397484     -7.886697      3.632271
  H      -2.271456     -7.863389      2.252383
  H      -6.798501     -7.262337      2.896782
  H      -5.407928     -7.549929      3.929459
  H      -5.337976     -6.218228      1.161634
  H      -4.706345     -7.847881      1.531474
  H      -2.938529     -3.478400      0.518641
  H      -4.559969     -4.152194      0.691563
  H      -1.887995     -5.325345      1.631386
  H      -2.965350     -5.987127      0.373104
  C      -1.920190      0.721537      1.124259
  C      -1.706680     -0.133134      2.135475
  C      -0.988660      0.287653      3.388206
  C      -2.123359     -1.585750      2.049075
  C      -3.618041     -1.898859      2.410655
  C      -4.572274     -1.360667      1.332119
  C      -3.968873     -1.235163      3.738346
  C      -7.151397     -6.124968      6.643136
  C      -8.073928     -5.436377      5.956680
  C      -9.007309     -4.469536      6.628755
  C      -8.249351     -5.626966      4.466693
  C      -7.231349     -4.865750      3.556398
  C      -7.723699     -4.947312      2.096434
  C      -7.200070     -3.388838      3.942501
  C      -3.421323     -5.052040      8.450897
  C      -2.919271     -5.910072      7.543465
  C      -3.684583     -7.131548      7.118308
  C      -1.537255     -5.740020      6.962290
  C      -1.400142     -4.886737      5.660791
  C       0.072230     -4.975249      5.201390
  C      -1.638605     -3.407308      5.969555
  H      -1.615888      1.767608      1.193143
  H      -2.392915      0.405174      0.192575
  H      -1.570480      0.054119      4.292785
  H      -0.764873      1.362086      3.385713
  H      -0.037008     -0.261790      3.481286
  H      -1.499351     -2.185821      2.730266
  H      -1.926213     -1.943696      1.028316
  H      -4.543388     -0.263694      1.332692
  H      -5.603506     -1.676887      1.544041
  H      -4.301516     -1.700939      0.323752
  H      -5.015807     -1.406292      4.015244
  H      -3.331429     -1.590213      4.555883
  H      -3.822069     -0.152666      3.634493
  H      -6.508345     -6.859373      6.157455
  H      -7.019846     -5.984989      7.718243
  H     -10.043483     -4.844228      6.577930
  H      -9.009270     -3.489593      6.127024
  H      -8.748468     -4.322002      7.685454
  H      -8.211943     -6.699170      4.224161
  H      -9.250685     -5.282356      4.164365
  H      -7.854964     -5.976327      1.735844
  H      -7.027941     -4.420546      1.427387
  H      -8.700353     -4.450380      2.024398
  H      -8.179156     -2.942348      3.722963
  H      -6.986468     -3.240926      5.004393
  H      -6.450385     -2.852116      3.349287
  H      -4.393438     -5.229668      8.918779
  H      -2.846617     -4.194791      8.807289
  H      -3.935347     -7.086856      6.046128
  H      -3.074521     -8.037417      7.261293
  H      -4.618344     -7.243453      7.682336
  H      -0.876766     -5.268528      7.705613
  H      -1.117235     -6.738447      6.758552
  H       0.434421     -6.005522      5.099199
  H       0.702684     -4.480407      5.951538
  H       0.216056     -4.450230      4.245837
  H      -2.615139     -3.200328      6.404639
  H      -0.885629     -3.079350      6.699166
  H      -1.514954     -2.799579      5.062046
  N      -4.598939     -3.649706      5.406155
  N      -5.010646     -3.121484      6.419602
  H      -4.782627     -3.674083      7.283634
86
Coordinates from ORCA-job orca E -5476.010106907953
  N      -3.738956     -3.390980      2.495713
  C      -3.568944     -4.075002      1.193358
  C      -2.930579     -5.447807      1.340087
  N      -3.633556     -6.225304      2.393633
  C      -4.905791     -6.837578      1.938472
  C      -5.825839     -6.860450      3.148594
  N      -5.889000     -5.489809      3.672662
  Mo     -4.084370     -4.643773      3.957978
  N      -2.352852     -5.436669      4.616601
  C      -1.758028     -6.569185      3.899268
  C      -2.779496     -7.251502      3.028426
  H      -1.350715     -7.310228      4.608663
  H      -0.904293     -6.231565      3.286827
  H      -3.432068     -7.889809      3.639602
  H      -2.299496     -7.887206      2.265095
  H      -6.815213     -7.245093      2.872299
  H      -5.437663     -7.548763      3.918271
  H      -5.339561     -6.203650      1.155280
  H      -4.720949     -7.840678      1.518834
  H      -2.928199     -3.486075      0.522182
  H      -4.549543     -4.160013      0.692609
  H      -1.884208     -5.332589      1.651673
  H      -2.947905     -5.992083      0.380949
  C      -1.894127      0.719325      1.150496
  C      -1.716892     -0.119988      2.181330
  C      -1.057166      0.324691      3.457890
  C      -2.116582     -1.577303      2.095768
  C      -3.619259     -1.901523      2.411189
  C      -4.545052     -1.372657      1.303921
  C      -4.020645     -1.238554      3.724534
  C      -7.137466     -6.121651      6.638277
  C      -8.049424     -5.412043      5.958692
  C      -8.945737     -4.414001      6.636125
  C      -8.254283     -5.610538      4.473538
  C      -7.244161     -4.864675      3.543417
  C      -7.736404     -4.984453      2.086041
  C      -7.225040     -3.377382      3.887798
  C      -3.395555     -5.046040      8.444901
  C      -2.891380     -5.914697      7.549151
  C      -3.646731     -7.147186      7.142510
  C      -1.514090     -5.745525      6.957273
  C      -1.396941     -4.898610      5.648639
  C       0.067393     -4.991746      5.164882
  C      -1.628932     -3.418004      5.955910
  H      -1.602566      1.769181      1.218044
  H      -2.323536      0.385963      0.203788
  H      -1.677896      0.103680      4.339786
  H      -0.837698      1.400399      3.447271
  H      -0.108289     -0.218869      3.602021
  H      -1.509382     -2.165360      2.802248
  H      -1.883730     -1.942776      1.085348
  H      -4.512366     -0.275988      1.291790
  H      -5.581861     -1.682785      1.495947
  H      -4.252562     -1.725726      0.306243
  H      -5.067450     -1.442665      3.978616
  H      -3.391103     -1.566030      4.559246
  H      -3.907575     -0.152455      3.614640
  H      -6.521001     -6.877881      6.150642
  H      -6.987401     -5.976007      7.709898
  H      -9.994401     -4.751496      6.587575
  H      -8.914910     -3.434195      6.136828
  H      -8.678262     -4.277812      7.691681
  H      -8.231856     -6.684100      4.235485
  H      -9.256977     -5.255484      4.187917
  H      -7.855661     -6.022541      1.748704
  H      -7.044569     -4.466603      1.406035
  H      -8.718584     -4.500362      2.001825
  H      -8.220783     -2.957283      3.695713
  H      -6.973674     -3.193092      4.934295
  H      -6.511729     -2.843564      3.249288
  H      -4.366039     -5.221225      8.916724
  H      -2.822783     -4.183347      8.790297
  H      -3.860681     -7.135896      6.062217
  H      -3.040427     -8.047566      7.329972
  H      -4.595815     -7.242593      7.683213
  H      -0.848950     -5.266456      7.691418
  H      -1.092725     -6.743195      6.754549
  H       0.422916     -6.023133      5.051755
  H       0.711838     -4.503367      5.907103
  H       0.198226     -4.462234      4.209786
  H      -2.580206     -3.212931      6.444468
  H      -0.837940     -3.077190      6.636898
  H      -1.561045     -2.819894      5.036924
  N      -4.590599     -3.650635      5.412282
  N      -4.994933     -3.121814      6.428578
  H      -4.781718     -3.687587      7.286750
86
Coordinates from ORCA-job orca E -5476.010387858508
  N      -3.729923     -3.383296      2.486950
  C      -3.554430     -4.077737      1.190825
  C      -2.917881     -5.450151      1.350537
  N      -3.634011     -6.220805      2.399511
  C      -4.907028     -6.825127      1.936546
  C      -5.834986     -6.837236      3.140395
  N      -5.892732     -5.462804      3.655891
  Mo     -4.088769     -4.626556      3.953925
  N      -2.368125     -5.432502      4.631494
  C      -1.775343     -6.572577      3.924422
  C      -2.795553     -7.250507      3.049003
  H      -1.378330     -7.313582      4.640177
  H      -0.915447     -6.244517      3.316504
  H      -3.460559     -7.876641      3.659067
  H      -2.315721     -7.898787      2.296129
  H      -6.824375     -7.216044      2.857771
  H      -5.458398     -7.525036      3.916354
  H      -5.331803     -6.189915      1.149154
  H      -4.726757     -7.830632      1.520730
  H      -2.911536     -3.494249      0.516911
  H      -4.533496     -4.167220      0.687328
  H      -1.874873     -5.334458      1.672456
  H      -2.925292     -5.998254      0.393241
  C      -1.869006      0.695769      1.079209
  C      -1.707528     -0.116274      2.134143
  C      -1.069275      0.363043      3.409249
  C      -2.104747     -1.575591      2.077949
  C      -3.607671     -1.895031      2.391694
  C      -4.529391     -1.372591      1.277717
  C      -4.017368     -1.223784      3.698181
  C      -7.111917     -6.244092      6.582339
  C      -8.012029     -5.476708      5.951091
  C      -8.863127     -4.482740      6.690529
  C      -8.252289     -5.605367      4.463276
  C      -7.247776     -4.838046      3.545777
  C      -7.743868     -4.921338      2.086007
  C      -7.226135     -3.357962      3.918248
  C      -3.409886     -5.068353      8.474403
  C      -2.913834     -5.927188      7.564800
  C      -3.673995     -7.151973      7.145235
  C      -1.536149     -5.759622      6.971158
  C      -1.420017     -4.896186      5.671995
  C       0.047793     -4.969599      5.194948
  C      -1.671839     -3.422333      5.995734
  H      -1.578973      1.747176      1.123599
  H      -2.284592      0.337331      0.135343
  H      -1.711775      0.181999      4.284307
  H      -0.834796      1.434485      3.366343
  H      -0.131661     -0.187482      3.593407
  H      -1.499806     -2.148638      2.798406
  H      -1.867881     -1.962003      1.076099
  H      -4.482590     -0.276675      1.247730
  H      -5.569894     -1.666098      1.477973
  H      -4.245014     -1.745018      0.284606
  H      -5.056920     -1.453265      3.960008
  H      -3.375487     -1.523175      4.534205
  H      -3.933845     -0.136599      3.572986
  H      -6.527703     -6.997818      6.052323
  H      -6.939396     -6.149552      7.656358
  H      -9.924436     -4.776373      6.633952
  H      -8.797934     -3.478569      6.245506
  H      -8.581937     -4.414988      7.749452
  H      -8.253731     -6.667294      4.176546
  H      -9.253561     -5.219392      4.215742
  H      -7.866714     -5.949507      1.722299
  H      -7.050452     -4.389393      1.418449
  H      -8.724743     -4.432557      2.014132
  H      -8.233777     -2.944517      3.777332
  H      -6.933058     -3.189539      4.956809
  H      -6.545042     -2.805017      3.259665
  H      -4.381559     -5.242503      8.943644
  H      -2.828194     -4.217251      8.835431
  H      -3.846679     -7.146766      6.057197
  H      -3.085420     -8.058531      7.360882
  H      -4.641040     -7.230891      7.655534
  H      -0.866411     -5.293546      7.709595
  H      -1.119055     -6.755734      6.753763
  H       0.411545     -5.995582      5.062527
  H       0.683995     -4.492971      5.951695
  H       0.181086     -4.418369      4.252307
  H      -2.613103     -3.239417      6.513856
  H      -0.867338     -3.068653      6.653880
  H      -1.643403     -2.818099      5.078960
  N      -4.582300     -3.622476      5.403933
  N      -4.977059     -3.082784      6.419112
  H      -4.776329     -3.650630      7.278272
86
Coordinates from ORCA-job orca E -5476.010495826152
  N      -3.748647     -3.381982      2.498366
  C      -3.570595     -4.070548      1.200273
  C      -2.923302     -5.438423      1.356185
  N      -3.633379     -6.216732      2.402556
  C      -4.902434     -6.826567      1.936089
  C      -5.832329     -6.848097      3.137207
  N      -5.895958     -5.475171      3.657805
  Mo     -4.099920     -4.631067      3.963167
  N      -2.374574     -5.431560      4.640421
  C      -1.773645     -6.562761      3.925861
  C      -2.789572     -7.244182      3.048424
  H      -1.366855     -7.302777      4.636830
  H      -0.919143     -6.222635      3.316955
  H      -3.451374     -7.875187      3.656624
  H      -2.306769     -7.887684      2.293387
  H      -6.818809     -7.228770      2.847580
  H      -5.458529     -7.537933      3.912235
  H      -5.330734     -6.189436      1.152405
  H      -4.715820     -7.828784      1.515280
  H      -2.931606     -3.480785      0.527898
  H      -4.549436     -4.164709      0.697139
  H      -1.882144     -5.313371      1.680674
  H      -2.923414     -5.984234      0.397611
  C      -1.854263      0.663670      1.056403
  C      -1.705062     -0.134228      2.124043
  C      -1.069640      0.359018      3.395276
  C      -2.114186     -1.590595      2.085461
  C      -3.616414     -1.894036      2.411371
  C      -4.543425     -1.354682      1.309248
  C      -4.006583     -1.225379      3.725207
  C      -7.169499     -6.242209      6.589275
  C      -8.042914     -5.461429      5.938391
  C      -8.879991     -4.441635      6.658710
  C      -8.266874     -5.599885      4.448760
  C      -7.248718     -4.847209      3.534402
  C      -7.734657     -4.930988      2.070698
  C      -7.218302     -3.364645      3.897315
  C      -3.374280     -5.096434      8.500082
  C      -2.879707     -5.943326      7.578883
  C      -3.628006     -7.177259      7.163729
  C      -1.510829     -5.754274      6.970325
  C      -1.420407     -4.887233      5.670822
  C       0.040976     -4.946439      5.172901
  C      -1.680505     -3.416163      6.001819
  H      -1.556068      1.713265      1.086923
  H      -2.267717      0.294473      0.115789
  H      -1.715054      0.191144      4.270920
  H      -0.832643      1.429436      3.339172
  H      -0.133478     -0.191452      3.588985
  H      -1.509907     -2.161471      2.808320
  H      -1.887914     -1.990393      1.086205
  H      -4.472274     -0.260534      1.274542
  H      -5.586795     -1.623479      1.527517
  H      -4.285114     -1.735500      0.312643
  H      -5.041338     -1.457702      4.001056
  H      -3.351966     -1.525538      4.551617
  H      -3.926323     -0.137795      3.601431
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  H      -8.772330     -3.438839      6.218302
  H      -8.622399     -4.384384      7.724368
  H      -8.272515     -6.663820      4.169669
  H      -9.262111     -5.207023      4.188663
  H      -7.862705     -5.958054      1.706001
  H      -7.030852     -4.405456      1.409068
  H      -8.711387     -4.435110      1.989477
  H      -8.224758     -2.947616      3.754902
  H      -6.921884     -3.187486      4.933952
  H      -6.535420     -2.821078      3.231774
  H      -4.340896     -5.282265      8.975352
  H      -2.798486     -4.240817      8.859545
  H      -3.813684     -7.173563      6.077365
  H      -3.024495     -8.075700      7.373120
  H      -4.587470     -7.270312      7.685139
  H      -0.841970     -5.276727      7.702207
  H      -1.079923     -6.743217      6.747528
  H       0.409330     -5.968281      5.023614
  H       0.684342     -4.473984      5.926160
  H       0.156865     -4.383719      4.234720
  H      -2.602548     -3.246467      6.557215
  H      -0.855239     -3.048987      6.626633
  H      -1.696053     -2.813393      5.083230
  N      -4.597389     -3.638617      5.418855
  N      -5.002769     -3.110670      6.437194
  H      -4.801617     -3.683764      7.292553
86
Coordinates from ORCA-job orca E -5476.010573149965
  N      -3.755219     -3.386786      2.490373
  C      -3.577025     -4.076367      1.192887
  C      -2.926032     -5.442245      1.350039
  N      -3.633829     -6.220531      2.397543
  C      -4.903548     -6.830721      1.932588
  C      -5.832233     -6.852571      3.134414
  N      -5.892585     -5.480871      3.659102
  Mo     -4.097830     -4.635409      3.958243
  N      -2.369530     -5.433423      4.631391
  C      -1.769995     -6.564932      3.915708
  C      -2.788405     -7.247534      3.041958
  H      -1.359603     -7.303083      4.626078
  H      -0.918532     -6.223512      3.303048
  H      -3.449051     -7.877560      3.652526
  H      -2.307833     -7.891539      2.285973
  H      -6.819896     -7.230954      2.844643
  H      -5.459546     -7.544307      3.907838
  H      -5.333325     -6.193298      1.150321
  H      -4.716875     -7.832449      1.510704
  H      -2.941153     -3.485705      0.518598
  H      -4.556378     -4.174140      0.691824
  H      -1.885503     -5.313098      1.675309
  H      -2.923887     -5.989698      0.392486
  C      -1.817625      0.647393      1.073670
  C      -1.708593     -0.136492      2.156609
  C      -1.122099      0.374034      3.444353
  C      -2.113970     -1.593905      2.120143
  C      -3.624345     -1.898367      2.404141
  C      -4.522377     -1.361768      1.276637
  C      -4.050705     -1.227431      3.705797
  C      -7.155983     -6.252283      6.601387
  C      -8.018280     -5.455026      5.955734
  C      -8.825823     -4.415262      6.681508
  C      -8.257548     -5.593516      4.468575
  C      -7.244445     -4.849269      3.542453
  C      -7.744468     -4.937757      2.083889
  C      -7.205517     -3.364854      3.899377
  C      -3.404479     -5.078048      8.459131
  C      -2.895012     -5.935139      7.556066
  C      -3.638261     -7.172558      7.141631
  C      -1.518274     -5.749514      6.964262
  C      -1.416278     -4.888829      5.662115
  C       0.046720     -4.953516      5.169734
  C      -1.673711     -3.416289      5.988377
  H      -1.521636      1.697734      1.101909
  H      -2.194575      0.265319      0.122945
  H      -1.800073      0.217836      4.297339
  H      -0.883753      1.443932      3.382431
  H      -0.193576     -0.172963      3.680925
  H      -1.530724     -2.155734      2.867236
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  H      -5.571906     -1.622293      1.472674
  H      -4.244464     -1.751362      0.288934
  H      -5.090536     -1.465358      3.955912
  H      -3.415711     -1.520563      4.549925
  H      -3.973809     -0.139803      3.580511
  H      -6.604314     -7.040539      6.087223
  H      -6.987319     -6.151506      7.675661
  H      -9.901255     -4.644336      6.598328
  H      -8.690018     -3.413329      6.247175
  H      -8.565733     -4.371149      7.747022
  H      -8.271812     -6.657809      4.191297
  H      -9.252600     -5.194024      4.217782
  H      -7.880301     -5.965845      1.723870
  H      -7.044488     -4.417501      1.414401
  H      -8.719912     -4.438143      2.009670
  H      -8.211570     -2.944837      3.763845
  H      -6.899343     -3.182846      4.932231
  H      -6.526295     -2.827925      3.225167
  H      -4.380501     -5.257120      8.917978
  H      -2.836816     -4.216336      8.815137
  H      -3.804855     -7.183847      6.052316
  H      -3.040895     -8.068839      7.375786
  H      -4.607243     -7.256773      7.646981
  H      -0.859113     -5.265639      7.700772
  H      -1.083656     -6.739284      6.751966
  H       0.412224     -5.976305      5.020464
  H       0.688984     -4.484130      5.925824
  H       0.167088     -4.390157      4.232496
  H      -2.587213     -3.247128      6.557756
  H      -0.839649     -3.043781      6.598487
  H      -1.703984     -2.818045      5.067093
  N      -4.590869     -3.646290      5.417317
  N      -4.995847     -3.121721      6.438050
  H      -4.785760     -3.691503      7.293153
86
Coordinates from ORCA-job orca E -5476.010563775584
  N      -3.766850     -3.382119      2.487220
  C      -3.592330     -4.074232      1.189877
  C      -2.937821     -5.438399      1.346038
  N      -3.638314     -6.218438      2.397387
  C      -4.907125     -6.836234      1.939753
  C      -5.832453     -6.853238      3.144748
  N      -5.894194     -5.479536      3.661240
  Mo     -4.099559     -4.631388      3.956069
  N      -2.366849     -5.421839      4.625791
  C      -1.764835     -6.551033      3.908773
  C      -2.784132     -7.239338      3.040016
  H      -1.350199     -7.286937      4.618817
  H      -0.916497     -6.207338      3.292892
  H      -3.439252     -7.872415      3.653770
  H      -2.302890     -7.881875      2.283160
  H      -6.821333     -7.235108      2.861688
  H      -5.454256     -7.539303      3.920489
  H      -5.341244     -6.206256      1.153859
  H      -4.718213     -7.839971      1.523870
  H      -2.960922     -3.482845      0.512273
  H      -4.573358     -4.175451      0.693094
  H      -1.895890     -5.307266      1.666369
  H      -2.939008     -5.986692      0.388824
  C      -1.793452      0.635725      1.071406
  C      -1.700914     -0.141642      2.160505
  C      -1.121090      0.372314      3.449781
  C      -2.115732     -1.596629      2.128177
  C      -3.630164     -1.894090      2.401027
  C      -4.517836     -1.353983      1.267140
  C      -4.063196     -1.221599      3.700233
  C      -7.149872     -6.210490      6.619393
  C      -8.011448     -5.420217      5.964611
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  C      -8.253634     -5.582792      4.480920
  C      -7.246883     -4.851783      3.537212
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  C      -7.213990     -3.359977      3.863380
  C      -3.403851     -5.145698      8.467706
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  C      -1.512503     -5.763762      6.955377
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  C      -1.708902     -3.417964      6.017367
  H      -1.488136      1.683483      1.095109
  H      -2.166219      0.250558      0.120254
  H      -1.816738      0.249597      4.293467
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  H      -6.603421     -7.008619      6.114843
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  H      -8.674055     -3.371346      6.232361
  H      -8.552032     -4.312342      7.742539
  H      -8.265778     -6.651630      4.221831
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  H      -7.890242     -6.015592      1.752420
  H      -7.057706     -4.474076      1.397616
  H      -8.729253     -4.479952      2.002047
  H      -8.222090     -2.946349      3.724045
  H      -6.905604     -3.155927      4.891087
  H      -6.539265     -2.834428      3.176715
  H      -4.373480     -5.350373      8.929631
  H      -2.850200     -4.279459      8.835016
  H      -3.754684     -7.234754      6.028924
  H      -3.007364     -8.114236      7.366075
  H      -4.584947     -7.316338      7.609162
  H      -0.855860     -5.285384      7.697900
  H      -1.065660     -6.744133      6.724219
  H       0.424639     -5.926919      5.013620
  H       0.674317     -4.445494      5.943123
  H       0.153532     -4.332852      4.250178
  H      -2.619368     -3.280344      6.600118
  H      -0.876793     -3.034826      6.623490
  H      -1.764983     -2.806192      5.106591
  N      -4.590726     -3.641398      5.415091
  N      -4.982335     -3.113815      6.439024
  H      -4.749552     -3.672927      7.295963
86
Coordinates from ORCA-job orca E -5476.010635896841
  N      -3.768182     -3.376750      2.486697
  C      -3.588909     -4.067414      1.189349
  C      -2.937508     -5.432948      1.345948
  N      -3.641726     -6.213394      2.394534
  C      -4.908967     -6.831380      1.933039
  C      -5.835933     -6.850512      3.136800
  N      -5.899855     -5.476960      3.652701
  Mo     -4.108118     -4.626377      3.953954
  N      -2.377610     -5.418781      4.628900
  C      -1.773911     -6.546683      3.911726
  C      -2.790126     -7.234617      3.039530
  H      -1.359748     -7.283502      4.621309
  H      -0.924051     -6.201988      3.298095
  H      -3.447319     -7.867870      3.651076
  H      -2.306530     -7.877168      2.284182
  H      -6.824222     -7.233425      2.853324
  H      -5.457297     -7.535752      3.913293
  H      -5.342032     -6.200833      1.146794
  H      -4.718530     -7.834599      1.516643
  H      -2.952175     -3.476658      0.515935
  H      -4.567364     -4.165082      0.686749
  H      -1.896333     -5.303200      1.669272
  H      -2.936052     -5.979859      0.387927
  C      -1.768529      0.624949      1.064002
  C      -1.680752     -0.149254      2.155769
  C      -1.094646      0.364673      3.442364
  C      -2.105969     -1.601187      2.128046
  C      -3.622341     -1.889084      2.402816
  C      -4.508019     -1.341326      1.271614
  C      -4.050480     -1.215694      3.703317
  C      -7.127897     -6.255620      6.596961
  C      -8.000412     -5.461797      5.960351
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  C      -8.252224     -5.604594      4.476008
  C      -7.255704     -4.855414      3.535203
  C      -7.766091     -4.973602      2.082985
  C      -7.233702     -3.365685      3.871247
  C      -3.383225     -5.106558      8.492934
  C      -2.890290     -5.945213      7.563233
  C      -3.646312     -7.169793      7.133301
  C      -1.520741     -5.753279      6.958347
  C      -1.430016     -4.876322      5.666089
  C       0.031666     -4.922150      5.169299
  C      -1.703841     -3.410745      6.010517
  H      -1.455538      1.670515      1.083333
  H      -2.145615      0.238849      0.114809
  H      -1.786749      0.244432      4.289173
  H      -0.823051      1.425286      3.365512
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  H      -5.562525     -1.588101      1.461620
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  H      -6.578950     -7.041631      6.076013
  H      -6.949060     -6.155672      7.669683
  H      -9.881748     -4.658131      6.618229
  H      -8.675193     -3.422267      6.267030
  H      -8.539359     -4.388618      7.759724
  H      -8.257596     -6.670201      4.202953
  H      -9.253744     -5.216614      4.232487
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  H      -7.076951     -4.459337      1.397914
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  H      -8.244998     -2.958234      3.736107
  H      -6.925006     -3.166191      4.899663
  H      -6.563987     -2.830740      3.186956
  H      -4.351908     -5.293452      8.963687
  H      -2.804608     -4.257828      8.863818
  H      -3.811572     -7.167896      6.044512
  H      -3.059390     -8.074847      7.360351
  H      -4.617023     -7.248708      7.636969
  H      -0.852516     -5.280448      7.694104
  H      -1.088986     -6.740729      6.729093
  H       0.405780     -5.939385      5.003329
  H       0.672636     -4.459449      5.930633
  H       0.143658     -4.343542      4.240325
  H      -2.602826     -3.267924      6.609466
  H      -0.859994     -3.026562      6.599068
  H      -1.775682     -2.803793      5.098121
  N      -4.604510     -3.635483      5.409753
  N      -5.007142     -3.105092      6.427766
  H      -4.805632     -3.673791      7.285800
86
Coordinates from ORCA-job orca E -5476.010667815429
  N      -3.762368     -3.383245      2.487183
  C      -3.585616     -4.074163      1.189899
  C      -2.935542     -5.440448      1.346075
  N      -3.638390     -6.219148      2.397075
  C      -4.907182     -6.836312      1.938494
  C      -5.832426     -6.853409      3.143689
  N      -5.894189     -5.478599      3.657710
  Mo     -4.101167     -4.631132      3.956322
  N      -2.371362     -5.425524      4.629893
  C      -1.768379     -6.552962      3.911352
  C      -2.785929     -7.240805      3.040700
  H      -1.352601     -7.289911      4.619949
  H      -0.919778     -6.207721      3.296510
  H      -3.441914     -7.874058      3.653328
  H      -2.303659     -7.883180      2.284344
  H      -6.820633     -7.236493      2.862379
  H      -5.452996     -7.537711      3.920788
  H      -5.340794     -6.205727      1.152502
  H      -4.718270     -7.840069      1.522670
  H      -2.949153     -3.484286      0.515317
  H      -4.565110     -4.170750      0.688821
  H      -1.893572     -5.311367      1.666883
  H      -2.936836     -5.988362      0.388675
  C      -1.786993      0.629013      1.062481
  C      -1.699015     -0.141196      2.157061
  C      -1.127437      0.382190      3.446376
  C      -2.111916     -1.596592      2.131649
  C      -3.626671     -1.895051      2.401052
  C      -4.512719     -1.355865      1.266225
  C      -4.065222     -1.222249      3.698142
  C      -7.150463     -6.241333      6.605607
  C      -8.009635     -5.440434      5.959975
  C      -8.807664     -4.392872      6.685172
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  C      -7.246083     -4.847599      3.536757
  C      -7.754087     -4.954810      2.082611
  C      -7.208008     -3.358939      3.874914
  C      -3.387048     -5.126081      8.482857
  C      -2.882520     -5.963858      7.558674
  C      -3.624858     -7.197514      7.130863
  C      -1.512212     -5.761130      6.959238
  C      -1.423799     -4.883660      5.667043
  C       0.037840     -4.924886      5.169316
  C      -1.701912     -3.419321      6.013579
  H      -1.484290      1.677621      1.080757
  H      -2.154487      0.236585      0.112169
  H      -1.822395      0.252186      4.289682
  H      -0.870868      1.446720      3.370194
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  H      -4.425493     -0.263017      1.224317
  H      -5.565876     -1.609722      1.454010
  H      -4.229988     -1.748193      0.280769
  H      -5.107982     -1.459243      3.938324
  H      -3.439731     -1.513202      4.549542
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  H      -6.606764     -7.035235      6.091439
  H      -6.976929     -6.138380      7.678851
  H      -9.885270     -4.610302      6.600700
  H      -8.660506     -3.391268      6.253721
  H      -8.548015     -4.353398      7.751050
  H      -8.265464     -6.652981      4.205063
  H      -9.250765     -5.191832      4.224430
  H      -7.894904     -5.987391      1.738223
  H      -7.058033     -4.444819      1.401071
  H      -8.728392     -4.453476      2.008222
  H      -8.213881     -2.939822      3.735760
  H      -6.900736     -3.164788      4.904979
  H      -6.528617     -2.830834      3.193858
  H      -4.357032     -5.318530      8.948509
  H      -2.817741     -4.270702      8.852575
  H      -3.795229     -7.197424      6.042705
  H      -3.026177     -8.095498      7.355377
  H      -4.592411     -7.288286      7.638150
  H      -0.851352     -5.281575      7.697211
  H      -1.071303     -6.745124      6.732822
  H       0.414122     -5.940747      5.000382
  H       0.678292     -4.462532      5.931261
  H       0.147656     -4.343649      4.241674
  H      -2.601907     -3.280433      6.612836
  H      -0.859195     -3.033108      6.602493
  H      -1.775962     -2.811372      5.102001
  N      -4.595402     -3.639267      5.412257
  N      -5.001781     -3.109410      6.429185
  H      -4.812902     -3.683673      7.285967
86
Coordinates from ORCA-job orca E -5476.010677655810
  N      -3.770507     -3.379257      2.488799
  C      -3.594373     -4.067943      1.190303
  C      -2.940587     -5.432860      1.343596
  N      -3.638234     -6.214867      2.395622
  C      -4.905441     -6.836781      1.939130
  C      -5.828193     -6.857712      3.146149
  N      -5.894196     -5.483194      3.659967
  Mo     -4.103349     -4.630096      3.956932
  N      -2.370818     -5.419488      4.627639
  C      -1.763981     -6.543277      3.906486
  C      -2.780031     -7.233910      3.036164
  H      -1.344384     -7.279641      4.613404
  H      -0.917619     -6.193418      3.291237
  H      -3.432124     -7.871163      3.648742
  H      -2.296164     -7.872681      2.277777
  H      -6.815490     -7.244887      2.867118
  H      -5.444032     -7.540171      3.922508
  H      -5.342816     -6.207651      1.154107
  H      -4.713254     -7.839688      1.522746
  H      -2.959844     -3.475677      0.515912
  H      -4.574392     -4.165699      0.690479
  H      -1.898178     -5.301284      1.661937
  H      -2.942837     -5.979982      0.385793
  C      -1.776242      0.620152      1.059011
  C      -1.690028     -0.149507      2.154127
  C      -1.111818      0.371544      3.441392
  C      -2.112009     -1.602347      2.131390
  C      -3.627282     -1.891485      2.405974
  C      -4.514398     -1.344006      1.275825
  C      -4.056145     -1.217930      3.705966
  C      -7.140717     -6.234698      6.615448
  C      -8.000150     -5.435483      5.967993
  C      -8.791272     -4.379928      6.689139
  C      -8.250393     -5.591764      4.484940
  C      -7.248354     -4.857043      3.538011
  C      -7.760269     -4.978344      2.086468
  C      -7.214442     -3.365749      3.863927
  C      -3.412894     -5.131284      8.464448
  C      -2.895129     -5.968073      7.546882
  C      -3.628207     -7.204908      7.112701
  C      -1.520924     -5.758570      6.958858
  C      -1.428000     -4.878197      5.669228
  C       0.035742     -4.913873      5.177349
  C      -1.712640     -3.415805      6.018814
  H      -1.466894      1.666868      1.075368
  H      -2.148891      0.229036      0.110193
  H      -1.805977      0.248015      4.286420
  H      -0.847411      1.434043      3.363015
  H      -0.200729     -0.192244      3.703620
  H      -1.541275     -2.160972      2.890297
  H      -1.849380     -2.027321      1.151641
  H      -4.420447     -0.251696      1.236433
  H      -5.568290     -1.591814      1.466945
  H      -4.238145     -1.735190      0.288174
  H      -5.099023     -1.449206      3.950480
  H      -3.428397     -1.512830      4.554344
  H      -3.972045     -0.130829      3.580766
  H      -6.602393     -7.034243      6.104263
  H      -6.961754     -6.124950      7.687096
  H      -9.870127     -4.592848      6.609198
  H      -8.640912     -3.381522      6.251610
  H      -8.528231     -4.335431      7.753908
  H      -8.260817     -6.659883      4.222405
  H      -9.249580     -5.200854      4.236193
  H      -7.898421     -6.014351      1.751106
  H      -7.068414     -4.471477      1.398312
  H      -8.736622     -4.481004      2.011202
  H      -8.221780     -2.951128      3.723009
  H      -6.905993     -3.162305      4.891662
  H      -6.537812     -2.841525      3.177307
  H      -4.387205     -5.326893      8.919780
  H      -2.852114     -4.271969      8.837309
  H      -3.788666     -7.206215      6.022974
  H      -3.028051     -8.100233      7.343509
  H      -4.600028     -7.299360      7.611038
  H      -0.867716     -5.277129      7.702363
  H      -1.074148     -6.740314      6.734037
  H       0.415519     -5.928102      5.006501
  H       0.672002     -4.452228      5.943206
  H       0.147257     -4.329352      4.251944
  H      -2.614314     -3.283137      6.617289
  H      -0.872439     -3.027176      6.609804
  H      -1.788535     -2.805556      5.108820
  N      -4.599398     -3.642650      5.415371
  N      -5.006586     -3.116674      6.434054
  H      -4.811803     -3.690009      7.289758
86
Coordinates from ORCA-job orca E -5476.010688822053
  N      -3.770458     -3.378844      2.486393
  C      -3.593421     -4.068746      1.188486
  C      -2.941496     -5.434377      1.342510
  N      -3.640053     -6.215646      2.394480
  C      -4.907209     -6.837821      1.938202
  C      -5.829997     -6.856650      3.145475
  N      -5.895915     -5.481509      3.656889
  Mo     -4.104685     -4.628860      3.954571
  N      -2.372887     -5.418468      4.626860
  C      -1.766128     -6.542535      3.906266
  C      -2.781737     -7.233868      3.035945
  H      -1.346985     -7.278899      4.613469
  H      -0.919164     -6.193410      3.291268
  H      -3.433721     -7.871353      3.648478
  H      -2.297184     -7.872883      2.278189
  H      -6.817821     -7.244462      2.868407
  H      -5.444542     -7.537499      3.922553
  H      -5.344003     -6.210033      1.151800
  H      -4.715374     -7.841500      1.523531
  H      -2.957395     -3.477509      0.514667
  H      -4.572823     -4.165560      0.687362
  H      -1.898723     -5.304580      1.660525
  H      -2.944752     -5.981484      0.384669
  C      -1.770162      0.621371      1.065359
  C      -1.689572     -0.147758      2.161256
  C      -1.117942      0.373687      3.451283
  C      -2.111026     -1.600718      2.136867
  C      -3.627955     -1.890972      2.402036
  C      -4.508345     -1.346021      1.265392
  C      -4.065829     -1.216078      3.698482
  C      -7.131980     -6.227184      6.615758
  C      -7.995249     -5.431046      5.969572
  C      -8.787897     -4.377197      6.691528
  C      -8.248652     -5.590595      4.487435
  C      -7.250216     -4.856508      3.536151
  C      -7.765873     -4.984418      2.086572
  C      -7.216681     -3.364234      3.857795
  C      -3.403054     -5.139634      8.474887
  C      -2.891023     -5.972312      7.550297
  C      -3.627743     -7.206391      7.114181
  C      -1.519348     -5.762134      6.956768
  C      -1.429465     -4.878508      5.668963
  C       0.033184     -4.913902      5.174620
  C      -1.712630     -3.416652      6.021773
  H      -1.460598      1.667989      1.082601
  H      -2.138126      0.229712      0.114899
  H      -1.818216      0.254635      4.291740
  H      -0.848864      1.434863      3.372598
  H      -0.211094     -0.193063      3.721095
  H      -1.544840     -2.158494      2.899836
  H      -1.841699     -2.026251      1.159263
  H      -4.416535     -0.253432      1.226483
  H      -5.563136     -1.596269      1.448630
  H      -4.223810     -1.736841      0.279798
  H      -5.110285     -1.447430      3.936407
  H      -3.443848     -1.509368      4.551616
  H      -3.981403     -0.129124      3.572475
  H      -6.593131     -7.025729      6.103635
  H      -6.950518     -6.116112      7.686901
  H      -9.866226     -4.594319      6.615834
  H      -8.642796     -3.378869      6.251820
  H      -8.521211     -4.329866      7.755389
  H      -8.257911     -6.659312      4.227178
  H      -9.249120     -5.202173      4.239999
  H      -7.904229     -6.022343      1.756611
  H      -7.076794     -4.480139      1.393909
  H      -8.742662     -4.487986      2.012046
  H      -8.224500     -2.949997      3.718356
  H      -6.905934     -3.158380      4.884485
  H      -6.541649     -2.841546      3.168662
  H      -4.374591     -5.336900      8.935328
  H      -2.839168     -4.282791      8.849216
  H      -3.790489     -7.203965      6.024821
  H      -3.028994     -8.103719      7.340924
  H      -4.598700     -7.300332      7.614429
  H      -0.862057     -5.284195      7.699012
  H      -1.074578     -6.743802      6.727444
  H       0.412333     -5.927989      5.001272
  H       0.671110     -4.453996      5.940190
  H       0.143178     -4.327747      4.250074
  H      -2.611732     -3.285741      6.624093
  H      -0.870180     -3.028842      6.610046
  H      -1.792948     -2.804377      5.113581
  N      -4.602558     -3.638277      5.410066
  N      -5.008214     -3.108094      6.427111
  H      -4.811743     -3.676965      7.285320
86
Coordinates from ORCA-job orca E -5476.010693614269
  N      -3.770623     -3.379135      2.485862
  C      -3.594503     -4.068920      1.187842
  C      -2.943247     -5.434969      1.341408
  N      -3.640621     -6.215857      2.394566
  C      -4.907985     -6.838857      1.939826
  C      -5.829536     -6.857319      3.148133
  N      -5.896005     -5.481479      3.657633
  Mo     -4.104813     -4.628577      3.954518
  N      -2.373493     -5.418393      4.626903
  C      -1.765772     -6.541352      3.905304
  C      -2.781048     -7.233514      3.035298
  H      -1.345159     -7.277613      4.611751
  H      -0.919613     -6.190824      3.290000
  H      -3.431923     -7.871934      3.648032
  H      -2.296306     -7.871732      2.276998
  H      -6.817202     -7.246619      2.872924
  H      -5.442309     -7.536610      3.925727
  H      -5.345737     -6.211596      1.153523
  H      -4.716051     -7.842707      1.525607
  H      -2.958117     -3.478163      0.513900
  H      -4.574144     -4.164823      0.686960
  H      -1.899986     -5.305485      1.657926
  H      -2.947996     -5.982317      0.383723
  C      -1.768156      0.619881      1.066084
  C      -1.688287     -0.148803      2.162335
  C      -1.117235      0.373083      3.452468
  C      -2.110032     -1.601664      2.138432
  C      -3.627312     -1.891345      2.401997
  C      -4.506757     -1.345417      1.265067
  C      -4.066359     -1.217084      3.698334
  C      -7.132987     -6.228080      6.616176
  C      -7.994750     -5.430269      5.969988
  C      -8.785360     -4.374896      6.691904
  C      -8.248793     -5.589839      4.487925
  C      -7.250361     -4.856380      3.536124
  C      -7.766452     -4.984600      2.086736
  C      -7.216057     -3.363762      3.856058
  C      -3.403198     -5.140891      8.474076
  C      -2.890414     -5.973154      7.549543
  C      -3.625537     -7.208273      7.113557
  C      -1.518711     -5.761608      6.956583
  C      -1.430211     -4.877900      5.668689
  C       0.032338     -4.910745      5.173722
  C      -1.715620     -3.416597      6.022183
  H      -1.458546      1.666487      1.083027
  H      -2.135582      0.227767      0.115606
  H      -1.817012      0.252104      4.293101
  H      -0.850191      1.434864      3.374316
  H      -0.209166     -0.192159      3.721559
  H      -1.545085     -2.159146      2.902524
  H      -1.839711     -2.028123      1.161482
  H      -4.414822     -0.252827      1.227167
  H      -5.561698     -1.595666      1.447341
  H      -4.221682     -1.735218      0.279276
  H      -5.111060     -1.448518      3.935267
  H      -3.445050     -1.510622      4.551907
  H      -3.981838     -0.130077      3.572844
  H      -6.595759     -7.027634      6.103915
  H      -6.950879     -6.117129      7.687194
  H      -9.864102     -4.589724      6.615846
  H      -8.638063     -3.376768      6.252598
  H      -8.518907     -4.328400      7.755830
  H      -8.257914     -6.658619      4.227701
  H      -9.249383     -5.201543      4.240749
  H      -7.905011     -6.022333      1.756695
  H      -7.077878     -4.480257      1.393615
  H      -8.743329     -4.488236      2.012731
  H      -8.223448     -2.948994      3.715133
  H      -6.905844     -3.157052      4.882656
  H      -6.539890     -2.842562      3.166773
  H      -4.374787     -5.338600      8.934081
  H      -2.839665     -4.283926      8.848733
  H      -3.792040     -7.204265      6.024769
  H      -3.023948     -8.104630      7.336556
  H      -4.594698     -7.305478      7.616680
  H      -0.862575     -5.282255      7.698917
  H      -1.072326     -6.742648      6.727824
  H       0.412881     -5.924069      4.999253
  H       0.669956     -4.450502      5.939337
  H       0.140950     -4.323604      4.249638
  H      -2.615217     -3.287533      6.624363
  H      -0.873882     -3.027669      6.610655
  H      -1.796957     -2.803990      5.114325
  N      -4.602515     -3.637407      5.409672
  N      -5.010613     -3.107326      6.425800
  H      -4.822681     -3.679858      7.283365
86
Coordinates from ORCA-job orca E -5476.010696520701
  N      -3.772598     -3.378403      2.485868
  C      -3.596817     -4.067671      1.187578
  C      -2.945294     -5.433774      1.340016
  N      -3.640532     -6.215365      2.394141
  C      -4.907543     -6.840339      1.940997
  C      -5.827496     -6.859191      3.150620
  N      -5.895887     -5.482626      3.657801
  Mo     -4.105304     -4.628225      3.954436
  N      -2.374057     -5.417151      4.626834
  C      -1.764225     -6.538006      3.903650
  C      -2.778387     -7.231698      3.033571
  H      -1.341474     -7.274139      4.608968
  H      -0.919140     -6.184929      3.288352
  H      -3.427289     -7.872291      3.646107
  H      -2.292637     -7.868105      2.274395
  H      -6.814688     -7.251329      2.878047
  H      -5.437010     -7.536151      3.928626
  H      -5.346892     -6.214051      1.154812
  H      -4.714685     -7.844200      1.527235
  H      -2.960340     -3.476672      0.513864
  H      -4.576585     -4.163091      0.686812
  H      -1.901463     -5.304274      1.654615
  H      -2.951690     -5.980883      0.382213
  C      -1.765406      0.616916      1.065440
  C      -1.687756     -0.149981      2.163090
  C      -1.119091      0.373804      3.453505
  C      -2.110349     -1.602610      2.141149
  C      -3.628130     -1.890691      2.402402
  C      -4.505640     -1.343942      1.264328
  C      -4.068703     -1.215786      3.697899
  C      -7.129954     -6.223409      6.620172
  C      -7.989706     -5.424100      5.973128
  C      -8.774389     -4.363049      6.693135
  C      -8.247401     -5.587901      4.492170
  C      -7.250549     -4.858364      3.535700
  C      -7.769523     -4.991961      2.087809
  C      -7.214503     -3.364421      3.849049
  C      -3.409070     -5.148786      8.470217
  C      -2.892625     -5.979336      7.546281
  C      -3.624039     -7.215667      7.107546
  C      -1.520220     -5.764196      6.956153
  C      -1.431978     -4.877589      5.670248
  C       0.030830     -4.906940      5.175864
  C      -1.719722     -3.417674      6.027524
  H      -1.455436      1.663432      1.081115
  H      -2.131381      0.223271      0.115041
  H      -1.820640      0.254164      4.292914
  H      -0.851632      1.435420      3.374316
  H      -0.211715     -0.191339      3.725254
  H      -1.547568     -2.159036      2.907578
  H      -1.838427     -2.031527      1.165656
  H      -4.413686     -0.251345      1.227614
  H      -5.560881     -1.594376      1.444540
  H      -4.218978     -1.732593      0.278582
  H      -5.113676     -1.447126      3.933717
  H      -3.448331     -1.508464      4.552413
  H      -3.984131     -0.128819      3.571804
  H      -6.597300     -7.026809      6.109160
  H      -6.944778     -6.109696      7.690358
  H      -9.854191     -4.573344      6.619566
  H      -8.623504     -3.366807      6.250798
  H      -8.505914     -4.314619      7.756462
  H      -8.257592     -6.657423      4.234991
  H      -9.248363     -5.199800      4.246146
  H      -7.908952     -6.030717      1.761620
  H      -7.082743     -4.490075      1.391125
  H      -8.746557     -4.495783      2.014318
  H      -8.221687     -2.949300      3.707851
  H      -6.902293     -3.153811      4.874227
  H      -6.538574     -2.847132      3.156427
  H      -4.381563     -5.348178      8.927497
  H      -2.848016     -4.290879      8.846360
  H      -3.790479     -7.209628      6.018705
  H      -3.019828     -8.110779      7.328381
  H      -4.592989     -7.316975      7.610236
  H      -0.866256     -5.284846      7.700393
  H      -1.071428     -6.743867      6.726310
  H       0.412932     -5.919175      4.998585
  H       0.667529     -4.447926      5.942972
  H       0.138818     -4.316980      4.253483
  H      -2.619788     -3.291928      6.629787
  H      -0.878697     -3.028893      6.617081
  H      -1.802122     -2.802582      5.121448
  N      -4.604468     -3.637406      5.409278
  N      -5.014745     -3.107514      6.424703
  H      -4.832414     -3.681825      7.281990
86
Coordinates from ORCA-job orca E -5476.010698672500
  N      -3.776564     -3.376966      2.484963
  C      -3.601664     -4.065920      1.186402
  C      -2.949692     -5.432017      1.337455
  N      -3.641632     -6.214441      2.393194
  C      -4.908157     -6.842474      1.942658
  C      -5.825777     -6.861364      3.154201
  N      -5.896854     -5.483716      3.657652
  Mo     -4.107104     -4.626998      3.953593
  N      -2.375895     -5.414313      4.626203
  C      -1.762965     -6.532160      3.900811
  C      -2.775580     -7.228485      3.030989
  H      -1.336826     -7.267793      4.604577
  H      -0.919663     -6.175349      3.285204
  H      -3.421522     -7.872077      3.643517
  H      -2.288404     -7.862507      2.270732
  H      -6.812474     -7.257501      2.885586
  H      -5.430676     -7.534717      3.932978
  H      -5.349899     -6.217918      1.156456
  H      -4.714032     -7.846485      1.529871
  H      -2.965303     -3.474814      0.512639
  H      -4.581722     -4.160873      0.686116
  H      -1.905003     -5.302386      1.649165
  H      -2.958523     -5.978938      0.379568
  C      -1.756437      0.611626      1.067246
  C      -1.684038     -0.153345      2.166582
  C      -1.118879      0.371647      3.458049
  C      -2.109604     -1.605119      2.146203
  C      -3.628804     -1.889467      2.402387
  C      -4.501869     -1.340177      1.262000
  C      -4.071927     -1.214025      3.696798
  C      -7.124924     -6.219164      6.624595
  C      -7.982547     -5.417798      5.977247
  C      -8.759654     -4.350188      6.695770
  C      -8.245800     -5.586650      4.497871
  C      -7.252209     -4.861609      3.534697
  C      -7.775370     -5.004695      2.089245
  C      -7.215588     -3.365537      3.837993
  C      -3.414044     -5.157956      8.467093
  C      -2.894260     -5.985947      7.542880
  C      -3.621577     -7.223639      7.101164
  C      -1.521723     -5.766084      6.954555
  C      -1.435247     -4.875351      5.671341
  C       0.027593     -4.899062      5.176846
  C      -1.726794     -3.417467      6.033676
  H      -1.444392      1.657535      1.081901
  H      -2.120057      0.216803      0.116431
  H      -1.823920      0.255153      4.294989
  H      -0.848636      1.432482      3.377903
  H      -0.213922     -0.195190      3.734302
  H      -1.551285     -2.161072      2.916232
  H      -1.834817     -2.037210      1.172887
  H      -4.408790     -0.247630      1.227506
  H      -5.557979     -1.589869      1.438027
  H      -4.212246     -1.727141      0.276482
  H      -5.117789     -1.444111      3.929857
  H      -3.454076     -1.507128      4.553008
  H      -3.985741     -0.127155      3.570858
  H      -6.598420     -7.027280      6.114627
  H      -6.935466     -6.102535      7.693704
  H      -9.840726     -4.555176      6.625999
  H      -8.604991     -3.356083      6.249978
  H      -8.487909     -4.299690      7.758176
  H      -8.256878     -6.657077      4.244329
  H      -9.247631     -5.199312      4.254109
  H      -7.914687     -6.045490      1.769539
  H      -7.091904     -4.506068      1.387021
  H      -8.753272     -4.510149      2.016205
  H      -8.222979     -2.951114      3.696288
  H      -6.900891     -3.148416      4.860995
  H      -6.540677     -2.853430      3.140478
  H      -4.386932     -5.359785      8.922380
  H      -2.855679     -4.298911      8.844552
  H      -3.788727     -7.214870      6.012412
  H      -3.014007     -8.117268      7.318685
  H      -4.589902     -7.330099      7.604019
  H      -0.869477     -5.287180      7.700591
  H      -1.070217     -6.743959      6.722398
  H       0.412566     -5.909583      4.996108
  H       0.663118     -4.440794      5.945374
  H       0.133730     -4.305701      4.256413
  H      -2.627481     -3.296441      6.635972
  H      -0.886905     -3.028695      6.624822
  H      -1.810669     -2.798977      5.129996
  N      -4.608064     -3.635942      5.407512
  N      -5.020478     -3.105634      6.421971
  H      -4.843566     -3.680872      7.279364
86
Coordinates from ORCA-job orca E -5476.010699547543
  N      -3.778236     -3.376210      2.484680
  C      -3.603570     -4.065095      1.186033
  C      -2.951086     -5.431025      1.336569
  N      -3.641824     -6.213966      2.392707
  C      -4.908099     -6.843123      1.942950
  C      -5.825053     -6.862037      3.155038
  N      -5.897235     -5.484028      3.657184
  Mo     -4.107844     -4.626433      3.953200
  N      -2.376673     -5.413097      4.626136
  C      -1.762505     -6.529779      3.899885
  C      -2.774442     -7.227107      3.030064
  H      -1.335086     -7.265173      4.603092
  H      -0.919896     -6.171476      3.284195
  H      -3.419427     -7.871738      3.642531
  H      -2.286640     -7.860350      2.269558
  H      -6.811529     -7.259603      2.887661
  H      -5.428408     -7.534090      3.934135
  H      -5.350667     -6.219159      1.156750
  H      -4.713477     -7.847146      1.530447
  H      -2.967530     -3.473782      0.512148
  H      -4.583753     -4.160226      0.686040
  H      -1.906162     -5.301123      1.647398
  H      -2.960530     -5.977757      0.378573
  C      -1.753715      0.609878      1.067425
  C      -1.682925     -0.154349      2.167375
  C      -1.118446      0.371073      3.458975
  C      -2.109640     -1.605802      2.147712
  C      -3.629346     -1.888770      2.402372
  C      -4.500922     -1.338788      1.261184
  C      -4.073264     -1.213109      3.696439
  C      -7.123728     -6.219927      6.625515
  C      -7.979552     -5.416386      5.978513
  C      -8.752552     -4.345836      6.697127
  C      -8.245246     -5.585985      4.499702
  C      -7.252777     -4.862766      3.534006
  C      -7.777723     -5.009600      2.089568
  C      -7.215927     -3.365819      3.833356
  C      -3.415448     -5.160739      8.466790
  C      -2.895189     -5.988057      7.542303
  C      -3.621777     -7.225828      7.099668
  C      -1.522679     -5.767251      6.954102
  C      -1.436529     -4.874627      5.672169
  C       0.026387     -4.896650      5.177826
  C      -1.728847     -3.417489      6.036644
  H      -1.440801      1.655533      1.081582
  H      -2.116909      0.214678      0.116598
  H      -1.824473      0.256001      4.295255
  H      -0.846983      1.431538      3.378277
  H      -0.214412     -0.196522      3.736607
  H      -1.552753     -2.161585      2.918893
  H      -1.834048     -2.039040      1.175118
  H      -4.407670     -0.246233      1.227408
  H      -5.557301     -1.588404      1.435777
  H      -4.210140     -1.725231      0.275801
  H      -5.119377     -1.442940      3.928657
  H      -3.456141     -1.506427      4.553082
  H      -3.986639     -0.126271      3.570604
  H      -6.600572     -7.030252      6.115595
  H      -6.932706     -6.103104      7.694327
  H      -9.834301     -4.547804      6.629013
  H      -8.595681     -3.352516      6.250358
  H      -8.479226     -4.295233      7.759132
  H      -8.257605     -6.656570      4.246867
  H      -9.247158     -5.197953      4.257347
  H      -7.916958     -6.051242      1.772517
  H      -7.095569     -4.512297      1.385144
  H      -8.756000     -4.515782      2.016700
  H      -8.223487     -2.951707      3.691947
  H      -6.899900     -3.145996      4.855370
  H      -6.541754     -2.855713      3.133654
  H      -4.388344     -5.363093      8.921819
  H      -2.857534     -4.301535      8.844550
  H      -3.789000     -7.216029      6.010933
  H      -3.013529     -8.119257      7.316098
  H      -4.589975     -7.333557      7.602503
  H      -0.870351     -5.289431      7.700769
  H      -1.071073     -6.744731      6.720485
  H       0.412348     -5.906669      4.996365
  H       0.661375     -4.438418      5.946827
  H       0.132179     -4.302456      4.257893
  H      -2.630354     -3.297411      6.637798
  H      -0.889791     -3.029864      6.629732
  H      -1.811260     -2.797299      5.133985
  N      -4.609655     -3.635405      5.406704
  N      -5.022557     -3.104799      6.420866
  H      -4.846805     -3.679909      7.278461
