86
Coordinates from ORCA-job orca E -5421.912787023004
  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
  H      -5.593639     -2.698304      5.173814
  H      -4.475912     -3.119229      6.331365
86
Coordinates from ORCA-job orca E -5421.939110427473
  N      -3.912589     -3.381329      2.674727
  C      -3.913444     -3.966492      1.339875
  C      -3.137054     -5.266517      1.340242
  N      -3.597701     -6.077662      2.462287
  C      -4.825398     -6.822098      2.136036
  C      -5.700461     -6.913917      3.398561
  N      -5.931529     -5.597129      3.955758
  Mo     -4.019472     -4.759061      4.143878
  N      -2.059715     -5.185360      4.511616
  C      -1.478771     -6.237660      3.692498
  C      -2.553133     -6.995354      2.918938
  H      -0.939209     -6.986554      4.299359
  H      -0.734103     -5.824960      2.982851
  H      -3.022478     -7.724676      3.588849
  H      -2.107095     -7.546742      2.072203
  H      -6.629447     -7.448602      3.142664
  H      -5.180965     -7.552628      4.134319
  H      -5.379451     -6.269703      1.373521
  H      -4.586162     -7.821500      1.735602
  H      -3.447400     -3.313401      0.590318
  H      -4.950332     -4.147394      1.001067
  H      -2.082925     -5.021697      1.507572
  H      -3.234201     -5.809463      0.385327
  C      -1.690108      0.383331      1.043035
  C      -1.549106     -0.406840      2.109433
  C      -0.750762      0.034588      3.305019
  C      -2.115791     -1.801354      2.159595
  C      -3.637041     -1.931635      2.526006
  C      -4.537814     -1.294998      1.446065
  C      -3.882132     -1.114688      3.789330
  C      -7.388935     -5.829708      6.863311
  C      -8.330629     -5.382703      6.029440
  C      -9.429124     -4.465254      6.489124
  C      -8.355056     -5.789421      4.582983
  C      -7.271556     -5.081659      3.679763
  C      -7.720536     -5.293158      2.209356
  C      -7.337029     -3.565732      3.897863
  C      -3.257401     -5.475402      8.438812
  C      -2.823920     -6.015598      7.295308
  C      -3.742354     -6.775435      6.391125
  C      -1.405449     -5.883437      6.828103
  C      -1.218067     -4.851715      5.653418
  C       0.290870     -4.820875      5.312649
  C      -1.560519     -3.451494      6.173049
  H      -1.275980      1.386025      1.015202
  H      -2.223045      0.064292      0.154351
  H      -1.316747     -0.100290      4.230282
  H      -0.456896      1.083632      3.218422
  H       0.158977     -0.572085      3.383752
  H      -1.582777     -2.397162      2.910151
  H      -1.964014     -2.274975      1.182443
  H      -4.429619     -0.209528      1.472876
  H      -5.583218     -1.545081      1.646585
  H      -4.291932     -1.632344      0.436554
  H      -4.939904     -1.120407      4.036907
  H      -3.313121     -1.526963      4.614345
  H      -3.580911     -0.078540      3.609724
  H      -6.636546     -6.530008      6.522903
  H      -7.352202     -5.536674      7.907997
  H     -10.382051     -5.007714      6.490141
  H      -9.540900     -3.612300      5.813259
  H      -9.243349     -4.098030      7.501535
  H      -8.188035     -6.870622      4.504695
  H      -9.342202     -5.569363      4.162312
  H      -7.756456     -6.347955      1.925725
  H      -7.039653     -4.766002      1.535928
  H      -8.721989     -4.878381      2.067193
  H      -8.234801     -3.152770      3.428545
  H      -7.360210     -3.310266      4.955592
  H      -6.449909     -3.126284      3.439196
  H      -4.281510     -5.599208      8.778897
  H      -2.598638     -4.917129      9.094671
  H      -3.938352     -6.162347      5.478403
  H      -3.277355     -7.711032      6.062937
  H      -4.687101     -7.005497      6.887084
  H      -0.762542     -5.569695      7.657186
  H      -1.050537     -6.862213      6.478315
  H       0.703011     -5.815920      5.128590
  H       0.841568     -4.378792      6.146524
  H       0.458571     -4.205050      4.424379
  H      -2.634541     -3.354145      6.309032
  H      -1.057197     -3.261967      7.124553
  H      -1.228749     -2.706322      5.447282
  N      -4.764426     -3.371908      5.554441
  H      -5.534726     -2.728428      5.411703
  H      -4.408064     -3.237377      6.504906
86
Coordinates from ORCA-job orca E -5421.951762839476
  N      -3.920134     -3.374347      2.625425
  C      -3.925126     -3.996207      1.286993
  C      -3.144540     -5.293436      1.304930
  N      -3.608864     -6.095418      2.446478
  C      -4.847993     -6.850489      2.126518
  C      -5.713178     -6.915952      3.389327
  N      -5.941840     -5.576410      3.929588
  Mo     -4.034842     -4.727059      4.123133
  N      -2.071777     -5.170261      4.501038
  C      -1.489669     -6.245602      3.695160
  C      -2.559803     -7.014636      2.932621
  H      -0.953240     -6.985966      4.317313
  H      -0.737334     -5.847912      2.983047
  H      -3.039429     -7.731854      3.613598
  H      -2.113654     -7.585520      2.095919
  H      -6.644579     -7.457034      3.150051
  H      -5.191675     -7.547811      4.134645
  H      -5.401121     -6.307971      1.350426
  H      -4.603158     -7.857269      1.739030
  H      -3.457897     -3.361788      0.523579
  H      -4.963571     -4.181960      0.944916
  H      -2.085380     -5.048556      1.466130
  H      -3.241633     -5.855227      0.357977
  C      -1.608049      0.410916      1.065614
  C      -1.496938     -0.406570      2.124200
  C      -0.707542     -0.004947      3.343571
  C      -2.094582     -1.793818      2.140642
  C      -3.626457     -1.911010      2.494973
  C      -4.525372     -1.242087      1.427861
  C      -3.876858     -1.123297      3.782053
  C      -7.403163     -5.950467      6.851551
  C      -8.348757     -5.473086      6.029729
  C      -9.454436     -4.576775      6.523905
  C      -8.366051     -5.821216      4.561817
  C      -7.301273     -5.066240      3.671553
  C      -7.750253     -5.253532      2.196243
  C      -7.390310     -3.554737      3.932434
  C      -3.258759     -5.381395      8.472804
  C      -2.830548     -5.951326      7.335716
  C      -3.764876     -6.737372      6.464002
  C      -1.412170     -5.827944      6.845055
  C      -1.215744     -4.820135      5.647783
  C       0.288192     -4.829917      5.284231
  C      -1.520273     -3.396592      6.133318
  H      -1.171768      1.413014      1.066329
  H      -2.137167      0.114036      0.156856
  H      -1.292964     -0.147349      4.264040
  H      -0.385256      1.043954      3.285881
  H       0.190925     -0.638604      3.430806
  H      -1.574483     -2.414497      2.886639
  H      -1.934313     -2.254905      1.154090
  H      -4.406901     -0.152910      1.481982
  H      -5.578314     -1.487711      1.630023
  H      -4.290949     -1.551644      0.401309
  H      -4.944717     -1.125904      4.027312
  H      -3.321435     -1.552860      4.620295
  H      -3.566533     -0.080580      3.624175
  H      -6.636640     -6.629629      6.480213
  H      -7.362160     -5.686608      7.911997
  H     -10.415672     -5.117663      6.494689
  H      -9.566288     -3.688771      5.882536
  H      -9.276255     -4.249759      7.557783
  H      -8.187778     -6.901224      4.438234
  H      -9.362965     -5.602097      4.148527
  H      -7.768514     -6.306703      1.882649
  H      -7.080084     -4.695037      1.526136
  H      -8.765688     -4.853351      2.068285
  H      -8.309606     -3.146188      3.488728
  H      -7.399097     -3.329896      5.004601
  H      -6.520547     -3.068394      3.470197
  H      -4.293303     -5.487397      8.812761
  H      -2.589630     -4.801752      9.113320
  H      -3.964464     -6.152145      5.532103
  H      -3.308062     -7.685447      6.142371
  H      -4.715646     -6.945339      6.966262
  H      -0.754473     -5.502025      7.664279
  H      -1.063086     -6.821075      6.511526
  H       0.679742     -5.842565      5.112918
  H       0.862610     -4.381295      6.106304
  H       0.459530     -4.230802      4.377089
  H      -2.591164     -3.254672      6.283300
  H      -0.995172     -3.192974      7.077491
  H      -1.179408     -2.672711      5.379350
  N      -4.713128     -3.349706      5.539362
  H      -5.484439     -2.706555      5.419086
  H      -4.333655     -3.221935      6.477641
86
Coordinates from ORCA-job orca E -5421.959819439390
  N      -3.950312     -3.376198      2.593540
  C      -3.955202     -4.008752      1.253122
  C      -3.154144     -5.294575      1.275066
  N      -3.614028     -6.102279      2.423745
  C      -4.854980     -6.870178      2.103067
  C      -5.717180     -6.930755      3.362752
  N      -5.944674     -5.581026      3.899082
  Mo     -4.061607     -4.707388      4.108785
  N      -2.092864     -5.155110      4.499415
  C      -1.503629     -6.237040      3.696928
  C      -2.560511     -7.015273      2.931548
  H      -0.968100     -6.971071      4.327181
  H      -0.745793     -5.840027      2.990816
  H      -3.050357     -7.728616      3.610685
  H      -2.108214     -7.591692      2.101579
  H      -6.649662     -7.473124      3.128931
  H      -5.199983     -7.560978      4.113633
  H      -5.403727     -6.330273      1.319923
  H      -4.597788     -7.874904      1.716753
  H      -3.496465     -3.367781      0.486670
  H      -4.991687     -4.204199      0.910944
  H      -2.095048     -5.043725      1.435164
  H      -3.244803     -5.863570      0.331134
  C      -1.587034      0.400811      1.093263
  C      -1.495225     -0.427638      2.148292
  C      -0.717511     -0.045660      3.381352
  C      -2.110460     -1.808922      2.146703
  C      -3.643491     -1.912932      2.489690
  C      -4.522829     -1.241639      1.412660
  C      -3.908713     -1.141427      3.785201
  C      -7.401422     -6.021466      6.818024
  C      -8.340951     -5.500676      6.012986
  C      -9.418519     -4.585029      6.533939
  C      -8.371524     -5.815412      4.535754
  C      -7.304720     -5.057992      3.655382
  C      -7.747772     -5.222382      2.178148
  C      -7.361933     -3.552852      3.955543
  C      -3.248488     -5.319996      8.505197
  C      -2.826974     -5.911337      7.374488
  C      -3.770849     -6.726840      6.540772
  C      -1.415939     -5.786333      6.857537
  C      -1.221852     -4.795655      5.649773
  C       0.275746     -4.829434      5.266208
  C      -1.496165     -3.360714      6.113121
  H      -1.139597      1.399774      1.109914
  H      -2.111189      0.112466      0.176440
  H      -1.316391     -0.189580      4.295605
  H      -0.377764      1.000152      3.340805
  H       0.170786     -0.695147      3.481428
  H      -1.600842     -2.441877      2.891583
  H      -1.944289     -2.266564      1.157923
  H      -4.399291     -0.151023      1.468554
  H      -5.580616     -1.482363      1.604903
  H      -4.280343     -1.549626      0.384956
  H      -4.983324     -1.140013      4.019702
  H      -3.375250     -1.573900      4.639948
  H      -3.592082     -0.097228      3.638635
  H      -6.652607     -6.707818      6.421074
  H      -7.337403     -5.773598      7.883384
  H     -10.400778     -5.090324      6.493032
  H      -9.506703     -3.675373      5.916081
  H      -9.229708     -4.287374      7.576464
  H      -8.217120     -6.896287      4.384195
  H      -9.369053     -5.573080      4.131445
  H      -7.773312     -6.272639      1.848982
  H      -7.069030     -4.661925      1.514715
  H      -8.761677     -4.812560      2.050791
  H      -8.283594     -3.118240      3.539080
  H      -7.345066     -3.356434      5.036557
  H      -6.495627     -3.054748      3.491623
  H      -4.284522     -5.423423      8.848355
  H      -2.575565     -4.717703      9.124101
  H      -3.985626     -6.172141      5.593980
  H      -3.315989     -7.679908      6.224665
  H      -4.718894     -6.921815      7.052807
  H      -0.745465     -5.450172      7.664563
  H      -1.068154     -6.785309      6.534071
  H       0.655383     -5.848996      5.100541
  H       0.867656     -4.378426      6.077235
  H       0.445144     -4.240181      4.350256
  H      -2.558659     -3.181497      6.279990
  H      -0.949678     -3.151487      7.046158
  H      -1.154300     -2.652232      5.341683
  N      -4.685065     -3.366242      5.539465
  H      -5.471879     -2.731571      5.445191
  H      -4.288710     -3.251416      6.471004
86
Coordinates from ORCA-job orca E -5407.717822026222
  N      -3.975507     -3.377125      2.558932
  C      -3.974631     -4.015010      1.222460
  C      -3.161333     -5.293024      1.252073
  N      -3.623810     -6.100500      2.400449
  C      -4.863528     -6.873220      2.078662
  C      -5.725401     -6.928693      3.335997
  N      -5.948126     -5.574925      3.865161
  Mo     -4.092238     -4.681374      4.091589
  N      -2.122038     -5.139822      4.502230
  C      -1.531479     -6.226973      3.705098
  C      -2.577187     -7.007601      2.931825
  H      -1.003068     -6.958301      4.343946
  H      -0.765548     -5.833205      3.007010
  H      -3.083289     -7.713379      3.606553
  H      -2.117418     -7.591293      2.111526
  H      -6.661473     -7.467580      3.108258
  H      -5.214886     -7.555047      4.093422
  H      -5.404311     -6.334999      1.289347
  H      -4.597789     -7.875967      1.694948
  H      -3.519090     -3.369140      0.457680
  H      -5.007026     -4.215906      0.877318
  H      -2.103792     -5.041569      1.417115
  H      -3.244083     -5.866889      0.310477
  C      -1.560744      0.385085      1.120455
  C      -1.485760     -0.453849      2.167700
  C      -0.717892     -0.092317      3.410802
  C      -2.116884     -1.827961      2.146496
  C      -3.649368     -1.918142      2.480023
  C      -4.510120     -1.228875      1.402642
  C      -3.921612     -1.164362      3.780702
  C      -7.376394     -6.096886      6.772403
  C      -8.318810     -5.542772      5.994403
  C      -9.374514     -4.625519      6.551291
  C      -8.368224     -5.821682      4.510922
  C      -7.311566     -5.048544      3.639032
  C      -7.754050     -5.195036      2.164534
  C      -7.363060     -3.553552      3.971547
  C      -3.237907     -5.242085      8.530047
  C      -2.829834     -5.862748      7.410349
  C      -3.783768     -6.706781      6.620785
  C      -1.428840     -5.744646      6.868820
  C      -1.236774     -4.774457      5.651499
  C       0.256471     -4.830587      5.255223
  C      -1.484308     -3.329775      6.090641
  H      -1.103850      1.378024      1.152934
  H      -2.079916      0.107213      0.199210
  H      -1.326605     -0.238028      4.317619
  H      -0.363109      0.948113      3.386709
  H       0.158808     -0.755155      3.519084
  H      -1.616777     -2.474366      2.885810
  H      -1.950073     -2.278568      1.155255
  H      -4.375717     -0.140065      1.467107
  H      -5.571390     -1.458368      1.585279
  H      -4.264229     -1.528608      0.374689
  H      -4.998312     -1.156772      4.007327
  H      -3.406932     -1.604209      4.641652
  H      -3.597313     -0.121305      3.646793
  H      -6.642473     -6.779952      6.344613
  H      -7.288470     -5.871476      7.839964
  H     -10.367490     -5.107284      6.505305
  H      -9.453995     -3.697135      5.961950
  H      -9.172309     -4.359419      7.599008
  H      -8.224889     -6.899007      4.330376
  H      -9.369265     -5.568617      4.122671
  H      -7.774783     -6.241230      1.824672
  H      -7.078386     -4.626872      1.506509
  H      -8.769927     -4.788973      2.041036
  H      -8.293828     -3.111843      3.584086
  H      -7.323163     -3.383831      5.055394
  H      -6.512337     -3.035094      3.503313
  H      -4.269807     -5.341134      8.882530
  H      -2.559813     -4.618062      9.119007
  H      -4.014980     -6.188072      5.659504
  H      -3.333546     -7.667351      6.321478
  H      -4.726596     -6.883709      7.147305
  H      -0.747357     -5.398804      7.662442
  H      -1.085020     -6.748588      6.558602
  H       0.625996     -5.853844      5.098240
  H       0.860562     -4.377403      6.055602
  H       0.426539     -4.252615      4.333524
  H      -2.537553     -3.117598      6.272555
  H      -0.919255     -3.114210      7.010502
  H      -1.143074     -2.638725      5.304318
  N      -4.647375     -3.372363      5.539659
  H      -5.442342     -2.742328      5.474947
  H      -4.232216     -3.275244      6.465404
86
Coordinates from ORCA-job orca E -5421.971968428575
  N      -4.015924     -3.386198      2.541537
  C      -4.012331     -4.023428      1.216476
  C      -3.180030     -5.289897      1.249287
  N      -3.635971     -6.103572      2.393450
  C      -4.870995     -6.880322      2.068314
  C      -5.743068     -6.938955      3.315934
  N      -5.961857     -5.583913      3.831333
  Mo     -4.125578     -4.678892      4.092347
  N      -2.136342     -5.135547      4.507844
  C      -1.547763     -6.215976      3.707654
  C      -2.589247     -7.000939      2.936578
  H      -1.017596     -6.945046      4.347840
  H      -0.781991     -5.824704      3.005633
  H      -3.100720     -7.704395      3.609448
  H      -2.127142     -7.585653      2.119273
  H      -6.680940     -7.470813      3.083758
  H      -5.245786     -7.562360      4.083281
  H      -5.402027     -6.341144      1.274246
  H      -4.595902     -7.878876      1.685089
  H      -3.564217     -3.368689      0.454779
  H      -5.041500     -4.237967      0.867031
  H      -2.125811     -5.032131      1.417722
  H      -3.254575     -5.867571      0.309717
  C      -1.568452      0.377765      1.162073
  C      -1.499551     -0.472193      2.199420
  C      -0.737400     -0.125507      3.447878
  C      -2.137621     -1.842829      2.161296
  C      -3.671011     -1.935798      2.490633
  C      -4.521046     -1.229070      1.417903
  C      -3.947918     -1.201132      3.796473
  C      -7.347916     -6.110183      6.712125
  C      -8.294913     -5.535521      5.957083
  C      -9.319921     -4.600940      6.536297
  C      -8.372508     -5.808398      4.474014
  C      -7.319237     -5.044645      3.597677
  C      -7.758403     -5.187611      2.124889
  C      -7.345421     -3.555376      3.939563
  C      -3.210115     -5.177773      8.550691
  C      -2.814195     -5.829054      7.444281
  C      -3.775043     -6.710179      6.707387
  C      -1.424102     -5.711968      6.876444
  C      -1.236744     -4.761273      5.646289
  C       0.254039     -4.832622      5.240097
  C      -1.457552     -3.307712      6.063742
  H      -1.110263      1.367686      1.208888
  H      -2.084560      0.108301      0.238972
  H      -1.349613     -0.276897      4.349930
  H      -0.376309      0.911712      3.437665
  H       0.133035     -0.794297      3.558099
  H      -1.639787     -2.499525      2.891440
  H      -1.972715     -2.283064      1.166137
  H      -4.381096     -0.141870      1.491249
  H      -5.583315     -1.453030      1.593459
  H      -4.272319     -1.519322      0.389761
  H      -5.025294     -1.192588      4.018709
  H      -3.442625     -1.648418      4.656454
  H      -3.621535     -0.158076      3.677663
  H      -6.635920     -6.801737      6.263755
  H      -7.227271     -5.886652      7.775375
  H     -10.324114     -5.056602      6.502926
  H      -9.389778     -3.667609      5.956137
  H      -9.096379     -4.345712      7.580979
  H      -8.249267     -6.886073      4.286946
  H      -9.373724     -5.542669      4.098192
  H      -7.786612     -6.234049      1.790539
  H      -7.075137     -4.630405      1.468235
  H      -8.769484     -4.773875      1.993133
  H      -8.274593     -3.098651      3.568633
  H      -7.288008     -3.397185      5.022795
  H      -6.497686     -3.041151      3.464566
  H      -4.235925     -5.278549      8.916071
  H      -2.531039     -4.527260      9.105333
  H      -4.033242     -6.233045      5.735733
  H      -3.322194     -7.675315      6.430048
  H      -4.705808     -6.875493      7.257704
  H      -0.733349     -5.353217      7.656021
  H      -1.080446     -6.718951      6.580624
  H       0.617294     -5.857658      5.092652
  H       0.868339     -4.375168      6.029827
  H       0.422350     -4.266211      4.313053
  H      -2.498998     -3.064883      6.262741
  H      -0.873276     -3.086489      6.969020
  H      -1.119258     -2.634149      5.263580
  N      -4.611807     -3.416819      5.552234
  H      -5.413526     -2.791362      5.514653
  H      -4.175974     -3.344572      6.471621
86
Coordinates from ORCA-job orca E -5421.974640693154
  N      -4.021240     -3.383273      2.529077
  C      -3.993245     -4.017722      1.207553
  C      -3.154187     -5.277781      1.251057
  N      -3.630642     -6.092518      2.382413
  C      -4.863293     -6.861297      2.036642
  C      -5.753082     -6.924579      3.273030
  N      -5.968251     -5.575063      3.798876
  Mo     -4.145452     -4.670482      4.087939
  N      -2.156314     -5.134832      4.528639
  C      -1.566291     -6.212927      3.729776
  C      -2.601294     -6.992846      2.944653
  H      -1.044761     -6.947873      4.371347
  H      -0.792299     -5.823410      3.035861
  H      -3.128673     -7.690695      3.611029
  H      -2.127644     -7.583660      2.137262
  H      -6.693313     -7.446178      3.027079
  H      -5.267575     -7.557766      4.040208
  H      -5.382745     -6.316591      1.238695
  H      -4.586353     -7.859498      1.650822
  H      -3.543035     -3.357218      0.451644
  H      -5.014857     -4.244012      0.844154
  H      -2.103885     -5.016256      1.438153
  H      -3.210911     -5.853631      0.308163
  C      -1.545175      0.346185      1.117721
  C      -1.492037     -0.478966      2.175762
  C      -0.752645     -0.100435      3.428547
  C      -2.128973     -1.850090      2.158724
  C      -3.665809     -1.935977      2.474219
  C      -4.501943     -1.235077      1.383430
  C      -3.956669     -1.187038      3.768859
  C      -7.340318     -6.219808      6.678929
  C      -8.280593     -5.596653      5.954214
  C      -9.281183     -4.664685      6.578337
  C      -8.378020     -5.811324      4.462482
  C      -7.327532     -5.024851      3.599057
  C      -7.781241     -5.117753      2.126795
  C      -7.335304     -3.547209      3.991948
  C      -3.222592     -5.123406      8.556558
  C      -2.831795     -5.804086      7.465902
  C      -3.793698     -6.708956      6.758104
  C      -1.443253     -5.699766      6.893906
  C      -1.249628     -4.758673      5.658661
  C       0.239974     -4.856780      5.250396
  C      -1.439996     -3.295897      6.063485
  H      -1.088659      1.337784      1.148355
  H      -2.045757      0.053221      0.192819
  H      -1.382757     -0.224332      4.322561
  H      -0.387444      0.935019      3.396362
  H       0.112858     -0.769057      3.574625
  H      -1.637710     -2.493854      2.905074
  H      -1.956583     -2.308861      1.172950
  H      -4.354152     -0.148195      1.440566
  H      -5.567884     -1.447439      1.552091
  H      -4.245481     -1.543615      0.361879
  H      -5.035532     -1.183026      3.983434
  H      -3.453224     -1.622120      4.636276
  H      -3.636746     -0.142959      3.641519
  H      -6.645483     -6.908447      6.199456
  H      -7.208317     -6.038815      7.749361
  H     -10.296088     -5.094911      6.528960
  H      -9.331207     -3.704832      6.040569
  H      -9.048240     -4.461505      7.632635
  H      -8.272350     -6.882491      4.231658
  H      -9.381784     -5.521240      4.110998
  H      -7.817040     -6.153758      1.761371
  H      -7.101050     -4.543757      1.481420
  H      -8.791444     -4.696018      2.016742
  H      -8.276727     -3.074750      3.675311
  H      -7.232398     -3.426900      5.077059
  H      -6.505085     -3.020447      3.499998
  H      -4.245537     -5.219329      8.930661
  H      -2.542045     -4.456261      9.089656
  H      -4.062893     -6.258083      5.776926
  H      -3.338741     -7.680909      6.508507
  H      -4.719402     -6.861901      7.321679
  H      -0.749083     -5.342475      7.671369
  H      -1.105561     -6.710594      6.603775
  H       0.587001     -5.888562      5.107768
  H       0.862074     -4.405899      6.037445
  H       0.416984     -4.296617      4.320869
  H      -2.473038     -3.029541      6.278113
  H      -0.836462     -3.074431      6.956379
  H      -1.101636     -2.637453      5.251008
  N      -4.615371     -3.425239      5.564654
  H      -5.440646     -2.827720      5.550668
  H      -4.195164     -3.388238      6.492736
86
Coordinates from ORCA-job orca E -5421.979006427403
  N      -4.045633     -3.374125      2.505343
  C      -4.018855     -4.022113      1.187511
  C      -3.180255     -5.288475      1.237666
  N      -3.651724     -6.101183      2.375125
  C      -4.881667     -6.875033      2.042099
  C      -5.760430     -6.923691      3.282222
  N      -5.965792     -5.566090      3.786087
  Mo     -4.153846     -4.649742      4.070145
  N      -2.161962     -5.116298      4.509368
  C      -1.580860     -6.202330      3.714506
  C      -2.621231     -6.992577      2.948204
  H      -1.054217     -6.932793      4.357166
  H      -0.813340     -5.821757      3.010159
  H      -3.146495     -7.677410      3.628834
  H      -2.150802     -7.599466      2.150143
  H      -6.705254     -7.441648      3.046572
  H      -5.274465     -7.549492      4.055534
  H      -5.407170     -6.340227      1.241189
  H      -4.604423     -7.876964      1.666057
  H      -3.573743     -3.368965      0.423455
  H      -5.041415     -4.252718      0.828969
  H      -2.129486     -5.026477      1.421335
  H      -3.237561     -5.868841      0.297043
  C      -1.484537      0.335315      1.161944
  C      -1.461602     -0.505877      2.210433
  C      -0.731593     -0.159022      3.478482
  C      -2.123735     -1.865788      2.166434
  C      -3.664646     -1.933355      2.473988
  C      -4.486005     -1.190446      1.397941
  C      -3.953768     -1.221411      3.789945
  C      -7.394357     -6.229152      6.687849
  C      -8.313111     -5.611679      5.938889
  C      -9.331956     -4.690257      6.538514
  C      -8.379178     -5.822569      4.447795
  C      -7.329710     -5.025410      3.593664
  C      -7.770862     -5.131287      2.120724
  C      -7.351821     -3.549057      3.984158
  C      -3.170095     -5.040425      8.545495
  C      -2.797190     -5.754785      7.465903
  C      -3.763156     -6.695673      6.795011
  C      -1.417320     -5.650612      6.871487
  C      -1.241901     -4.723193      5.623624
  C       0.244896     -4.822190      5.202201
  C      -1.430593     -3.254448      6.011679
  H      -1.007831      1.318396      1.210826
  H      -1.976788      0.062898      0.226287
  H      -1.379174     -0.278942      4.363021
  H      -0.340352      0.869860      3.462338
  H       0.117683     -0.851011      3.630886
  H      -1.645989     -2.531267      2.903219
  H      -1.953867     -2.310671      1.174209
  H      -4.314389     -0.107723      1.477037
  H      -5.557789     -1.383578      1.562551
  H      -4.236398     -1.482914      0.369955
  H      -5.033662     -1.222226      4.003065
  H      -3.453317     -1.682882      4.644549
  H      -3.630228     -0.176588      3.695872
  H      -6.677629     -6.907099      6.233720
  H      -7.305851     -6.052721      7.759052
  H     -10.345440     -5.123785      6.453342
  H      -9.364192     -3.725411      6.008557
  H      -9.132591     -4.495869      7.600975
  H      -8.263909     -6.891043      4.214939
  H      -9.380966     -5.543619      4.084591
  H      -7.793559     -6.169721      1.762413
  H      -7.088883     -4.556300      1.478620
  H      -8.784304     -4.720935      1.998704
  H      -8.309214     -3.090840      3.686700
  H      -7.229285     -3.428543      5.067518
  H      -6.538573     -3.009559      3.473961
  H      -4.182863     -5.130822      8.945286
  H      -2.480550     -4.348912      9.044369
  H      -4.054990     -6.272702      5.804991
  H      -3.300630     -7.670138      6.566147
  H      -4.681890     -6.844456      7.374989
  H      -0.714113     -5.283136      7.637517
  H      -1.078385     -6.663112      6.587510
  H       0.593569     -5.854067      5.066388
  H       0.871390     -4.362982      5.981194
  H       0.414860     -4.269224      4.266583
  H      -2.460379     -2.986885      6.248938
  H      -0.806896     -3.015364      6.888675
  H      -1.111765     -2.607558      5.180209
  N      -4.614682     -3.483022      5.621726
  H      -5.470057     -2.910611      5.659262
  H      -4.186831     -3.495089      6.554794
86
Coordinates from ORCA-job orca E -5421.983795892037
  N      -4.027634     -3.365732      2.465595
  C      -3.989102     -4.033949      1.159337
  C      -3.165316     -5.314430      1.233944
  N      -3.658753     -6.116781      2.372194
  C      -4.890655     -6.873435      2.029755
  C      -5.781073     -6.893533      3.258083
  N      -5.959075     -5.528909      3.744318
  Mo     -4.148221     -4.623310      4.040453
  N      -2.166202     -5.116809      4.518460
  C      -1.596846     -6.215365      3.735978
  C      -2.643961     -7.005278      2.972629
  H      -1.085477     -6.950260      4.387905
  H      -0.818085     -5.854843      3.031771
  H      -3.182727     -7.671229      3.663166
  H      -2.168668     -7.633696      2.193573
  H      -6.735050     -7.391940      3.018918
  H      -5.313489     -7.522272      4.041323
  H      -5.401979     -6.339323      1.217938
  H      -4.626705     -7.883186      1.666926
  H      -3.536910     -3.393876      0.388393
  H      -5.010347     -4.267088      0.796062
  H      -2.114442     -5.059854      1.427954
  H      -3.216542     -5.900676      0.296197
  C      -1.512072      0.355140      1.128282
  C      -1.474208     -0.476147      2.181890
  C      -0.755488     -0.104587      3.450625
  C      -2.109565     -1.844499      2.140603
  C      -3.647647     -1.932560      2.439434
  C      -4.463296     -1.191710      1.355675
  C      -3.963996     -1.244644      3.763645
  C      -7.359889     -6.297528      6.661540
  C      -8.280006     -5.636966      5.935006
  C      -9.290960     -4.724133      6.583619
  C      -8.364673     -5.788820      4.428745
  C      -7.323406     -4.977765      3.577870
  C      -7.774392     -5.054829      2.101849
  C      -7.339517     -3.506901      3.998433
  C      -3.167703     -5.013348      8.554582
  C      -2.810134     -5.750342      7.486441
  C      -3.771603     -6.707165      6.839143
  C      -1.434196     -5.652090      6.887189
  C      -1.255543     -4.727241      5.635727
  C       0.236632     -4.829119      5.233931
  C      -1.453925     -3.258992      6.016636
  H      -1.055729      1.345049      1.170910
  H      -1.997331      0.066337      0.192198
  H      -1.398556     -0.228106      4.334238
  H      -0.386220      0.927360      3.426514
  H       0.102141     -0.775990      3.608439
  H      -1.624186     -2.501187      2.879019
  H      -1.933451     -2.287156      1.147580
  H      -4.297870     -0.109040      1.434705
  H      -5.532731     -1.390691      1.510306
  H      -4.202278     -1.485244      0.329839
  H      -5.043771     -1.273567      3.962811
  H      -3.460899     -1.713666      4.616367
  H      -3.661520     -0.192958      3.693522
  H      -6.636072     -6.966162      6.183525
  H      -7.282806     -6.167731      7.746997
  H     -10.306958     -5.145088      6.479344
  H      -9.317727     -3.729680      6.094960
  H      -9.085903     -4.579193      7.660052
  H      -8.260222     -6.855155      4.156075
  H      -9.370120     -5.486549      4.086898
  H      -7.799750     -6.089488      1.727509
  H      -7.092669     -4.470659      1.465705
  H      -8.787149     -4.639843      1.990014
  H      -8.302789     -3.044273      3.730118
  H      -7.196168     -3.407541      5.084209
  H      -6.538434     -2.960428      3.479164
  H      -4.170962     -5.091114      8.976088
  H      -2.470058     -4.319248      9.028671
  H      -4.066315     -6.313322      5.846154
  H      -3.304025     -7.685957      6.643411
  H      -4.691272     -6.843640      7.422715
  H      -0.733546     -5.284528      7.653586
  H      -1.092783     -6.663810      6.605899
  H       0.585542     -5.861470      5.104089
  H       0.851070     -4.371941      6.021465
  H       0.421097     -4.275252      4.301761
  H      -2.486032     -2.996618      6.248426
  H      -0.835202     -3.015791      6.891887
  H      -1.134921     -2.616243      5.185562
  N      -4.613378     -3.588756      5.692228
  H      -5.462892     -3.024243      5.772826
  H      -4.177880     -3.667311      6.618850
86
Coordinates from ORCA-job orca E -5421.985569183747
  N      -4.021394     -3.361594      2.449849
  C      -3.977739     -4.036145      1.147193
  C      -3.158585     -5.321224      1.228399
  N      -3.654809     -6.125026      2.368999
  C      -4.882210     -6.882091      2.031095
  C      -5.771330     -6.889860      3.263639
  N      -5.940886     -5.519635      3.735994
  Mo     -4.130656     -4.608645      4.021163
  N      -2.160058     -5.113053      4.516855
  C      -1.591205     -6.208618      3.730496
  C      -2.639766     -7.003774      2.972689
  H      -1.078120     -6.946876      4.377571
  H      -0.814023     -5.846693      3.025421
  H      -3.173489     -7.664369      3.671661
  H      -2.161087     -7.638550      2.201254
  H      -6.726502     -7.385286      3.027741
  H      -5.304096     -7.515983      4.049116
  H      -5.398308     -6.355586      1.217789
  H      -4.621455     -7.896616      1.674799
  H      -3.528513     -3.397767      0.370496
  H      -4.999072     -4.275137      0.789139
  H      -2.108150     -5.063700      1.422365
  H      -3.209283     -5.905535      0.289846
  C      -1.553884      0.390496      1.143755
  C      -1.512771     -0.443342      2.192990
  C      -0.811655     -0.064899      3.469929
  C      -2.124179     -1.819230      2.137319
  C      -3.657289     -1.931778      2.430903
  C      -4.479282     -1.194219      1.351600
  C      -3.990601     -1.275371      3.769701
  C      -7.384868     -6.124142      6.700133
  C      -8.288525     -5.526809      5.922743
  C      -9.311416     -4.589911      6.483302
  C      -8.352396     -5.758706      4.447010
  C      -7.312987     -4.983271      3.574105
  C      -7.767448     -5.106027      2.105203
  C      -7.344621     -3.508134      3.943805
  C      -3.092611     -5.095027      8.577377
  C      -2.760302     -5.813950      7.496033
  C      -3.722552     -6.768385      6.862647
  C      -1.397187     -5.690957      6.869526
  C      -1.250623     -4.737667      5.632068
  C       0.237736     -4.824445      5.212508
  C      -1.467054     -3.281274      6.041945
  H      -1.113550      1.386026      1.194171
  H      -2.025548      0.100490      0.201328
  H      -1.461923     -0.193337      4.346026
  H      -0.454324      0.969888      3.447110
  H       0.051386     -0.726533      3.635249
  H      -1.630177     -2.474870      2.870268
  H      -1.943114     -2.249871      1.140249
  H      -4.324179     -0.111802      1.435825
  H      -5.545632     -1.405610      1.502757
  H      -4.211785     -1.484268      0.325641
  H      -5.069339     -1.335077      3.962642
  H      -3.477231     -1.758230      4.610408
  H      -3.709012     -0.215183      3.728609
  H      -6.645298     -6.808389      6.303547
  H      -7.346574     -5.924003      7.763457
  H     -10.323259     -5.012089      6.392407
  H      -9.326790     -3.651105      5.938131
  H      -9.126943     -4.376175      7.530590
  H      -8.241257     -6.822670      4.234539
  H      -9.356351     -5.482955      4.086067
  H      -7.788048     -6.148214      1.764922
  H      -7.087284     -4.540120      1.456310
  H      -8.782352     -4.700052      1.979080
  H      -8.313205     -3.078172      3.669775
  H      -7.198983     -3.370462      5.014604
  H      -6.555212     -2.970017      3.406691
  H      -4.079793     -5.181784      9.034931
  H      -2.384935     -4.407883      9.035181
  H      -4.033542     -6.383848      5.877679
  H      -3.245894     -7.742331      6.674102
  H      -4.631485     -6.911080      7.459571
  H      -0.687188     -5.333671      7.631635
  H      -1.047745     -6.690540      6.559244
  H       0.588452     -5.853630      5.057347
  H       0.857991     -4.380569      6.004908
  H       0.409338     -4.251662      4.289546
  H      -2.504370     -3.046686      6.286794
  H      -0.839146     -3.043915      6.912802
  H      -1.168883     -2.624070      5.217539
  N      -4.609603     -3.718061      5.767724
  H      -5.462342     -3.183859      5.895685
  H      -4.163197     -3.854703      6.673112
86
Coordinates from ORCA-job orca E -5421.988014180304
  N      -4.024715     -3.353703      2.410764
  C      -3.957869     -4.036565      1.116920
  C      -3.144146     -5.319684      1.226100
  N      -3.662464     -6.112357      2.364373
  C      -4.885948     -6.868121      2.016563
  C      -5.792970     -6.863855      3.241131
  N      -5.957615     -5.490945      3.706670
  Mo     -4.149142     -4.574741      3.993243
  N      -2.192650     -5.082302      4.520888
  C      -1.617528     -6.184370      3.749426
  C      -2.659337     -6.985378      2.991593
  H      -1.107727     -6.916578      4.404820
  H      -0.837035     -5.828274      3.046272
  H      -3.202645     -7.631848      3.695925
  H      -2.172863     -7.633657      2.236890
  H      -6.748097     -7.354072      2.997306
  H      -5.337270     -7.490108      4.032897
  H      -5.391251     -6.348461      1.193009
  H      -4.623467     -7.886492      1.671753
  H      -3.493170     -3.404607      0.342578
  H      -4.974035     -4.276487      0.745839
  H      -2.097271     -5.062060      1.437959
  H      -3.178853     -5.909339      0.290570
  C      -1.420880      0.344563      1.120341
  C      -1.453368     -0.483334      2.183519
  C      -0.794514     -0.113228      3.484276
  C      -2.101489     -1.849247      2.123908
  C      -3.645507     -1.928459      2.386229
  C      -4.437093     -1.182761      1.291102
  C      -3.994328     -1.265581      3.720607
  C      -7.359051     -6.266974      6.673626
  C      -8.272344     -5.618368      5.936280
  C      -9.287465     -4.704510      6.573472
  C      -8.363167     -5.771363      4.438779
  C      -7.334453     -4.955311      3.579478
  C      -7.802469     -5.024229      2.106821
  C      -7.370150     -3.486194      4.005173
  C      -3.083327     -5.059749      8.596559
  C      -2.762891     -5.785587      7.515925
  C      -3.725670     -6.757227      6.904555
  C      -1.408841     -5.648476      6.867869
  C      -1.285111     -4.692404      5.628237
  C       0.199475     -4.763333      5.192336
  C      -1.514757     -3.236075      6.035799
  H      -0.949918      1.330748      1.175400
  H      -1.856413      0.060804      0.161879
  H      -1.495802     -0.199478      4.336549
  H      -0.391929      0.913676      3.454042
  H       0.041835     -0.815453      3.699963
  H      -1.640162     -2.514029      2.874397
  H      -1.905564     -2.293969      1.134629
  H      -4.260900     -0.100353      1.365556
  H      -5.512787     -1.371760      1.429480
  H      -4.156750     -1.493039      0.273998
  H      -5.078550     -1.316712      3.898250
  H      -3.498136     -1.760259      4.564158
  H      -3.700836     -0.204653      3.688246
  H      -6.621793     -6.938392      6.231908
  H      -7.310744     -6.123228      7.755433
  H     -10.302383     -5.117140      6.454377
  H      -9.299157     -3.715809      6.089156
  H      -9.095115     -4.566081      7.646116
  H      -8.260838     -6.833052      4.168401
  H      -9.371456     -5.468201      4.110141
  H      -7.822671     -6.057151      1.728083
  H      -7.128097     -4.431137      1.471206
  H      -8.819469     -4.614941      2.005893
  H      -8.351382     -3.048624      3.770240
  H      -7.202388     -3.385516      5.083689
  H      -6.596366     -2.921801      3.464026
  H      -4.059652     -5.151378      9.077678
  H      -2.373318     -4.355548      9.032552
  H      -4.048967     -6.393679      5.910174
  H      -3.242401     -7.733007      6.739983
  H      -4.627103     -6.894075      7.513958
  H      -0.690360     -5.285931      7.619968
  H      -1.054901     -6.644108      6.550676
  H       0.556806     -5.788491      5.032729
  H       0.823450     -4.313457      5.978894
  H       0.355870     -4.190018      4.267364
  H      -2.554285     -3.020706      6.292558
  H      -0.876956     -2.983282      6.897552
  H      -1.235537     -2.580680      5.200078
  N      -4.643687     -3.749234      5.758703
  H      -5.519967     -3.254305      5.905944
  H      -4.199323     -3.914608      6.653970
86
Coordinates from ORCA-job orca E -5421.989361567920
  N      -3.992039     -3.371150      2.397501
  C      -3.921130     -4.059952      1.105194
  C      -3.119350     -5.345781      1.230476
  N      -3.658054     -6.125297      2.368876
  C      -4.888293     -6.871140      2.017185
  C      -5.806750     -6.850741      3.235481
  N      -5.957126     -5.473302      3.694612
  Mo     -4.138025     -4.575816      3.986156
  N      -2.200178     -5.104263      4.537044
  C      -1.627582     -6.215183      3.772699
  C      -2.671314     -7.008185      3.012877
  H      -1.123379     -6.947824      4.431536
  H      -0.843829     -5.865254      3.070986
  H      -3.229497     -7.640522      3.719992
  H      -2.187178     -7.670849      2.269073
  H      -6.766646     -7.327272      2.980539
  H      -5.367988     -7.484047      4.032603
  H      -5.383323     -6.351235      1.186549
  H      -4.633913     -7.893792      1.681142
  H      -3.446329     -3.437299      0.330692
  H      -4.937291     -4.293468      0.730188
  H      -2.072620     -5.096856      1.452916
  H      -3.149172     -5.940114      0.297690
  C      -1.512740      0.391098      1.119459
  C      -1.481572     -0.450385      2.158745
  C      -0.797068     -0.077332      3.444775
  C      -2.093476     -1.828241      2.089397
  C      -3.630359     -1.937461      2.367390
  C      -4.444313     -1.203037      1.285261
  C      -3.971617     -1.280517      3.706185
  C      -7.361648     -6.275656      6.650471
  C      -8.271242     -5.605486      5.922567
  C      -9.277305     -4.692002      6.579622
  C      -8.366426     -5.737547      4.418680
  C      -7.326497     -4.925422      3.570329
  C      -7.790516     -4.980756      2.095591
  C      -7.344752     -3.456787      3.999567
  C      -3.062049     -5.086160      8.627918
  C      -2.750183     -5.811517      7.540600
  C      -3.720854     -6.784880      6.935989
  C      -1.401821     -5.669711      6.877975
  C      -1.293402     -4.703887      5.644915
  C       0.190281     -4.742037      5.204262
  C      -1.544745     -3.254540      6.064873
  H      -1.075401      1.388421      1.184056
  H      -1.974899      0.110555      0.171753
  H      -1.455375     -0.215158      4.308065
  H      -0.444896      0.959071      3.434445
  H       0.066467     -0.731705      3.614046
  H      -1.606125     -2.486432      2.824950
  H      -1.906879     -2.256600      1.093659
  H      -4.273707     -0.120086      1.355222
  H      -5.516726     -1.400201      1.439248
  H      -4.176998     -1.514684      0.265804
  H      -5.050194     -1.356103      3.897929
  H      -3.453666     -1.763444      4.541148
  H      -3.700788     -0.215093      3.673324
  H      -6.629045     -6.947505      6.195732
  H      -7.308480     -6.147927      7.738547
  H     -10.299523     -5.090190      6.440406
  H      -9.271779     -3.683150      6.120125
  H      -9.087907     -4.586076      7.663541
  H      -8.278233     -6.800054      4.134889
  H      -9.369762     -5.418049      4.092036
  H      -7.824615     -6.010372      1.710973
  H      -7.104373     -4.395296      1.467437
  H      -8.799888     -4.557022      1.991508
  H      -8.323422     -3.010795      3.769169
  H      -7.170571     -3.355527      5.077496
  H      -6.570130     -2.898097      3.458956
  H      -4.033977     -5.178569      9.120168
  H      -2.348056     -4.377448      9.058424
  H      -4.046203     -6.426691      5.937368
  H      -3.243152     -7.767373      6.782206
  H      -4.620886     -6.911231      7.551986
  H      -0.674231     -5.311006      7.623881
  H      -1.051097     -6.664006      6.549766
  H       0.565690     -5.757789      5.033248
  H       0.807691     -4.289310      5.993200
  H       0.332334     -4.156284      4.283958
  H      -2.586524     -3.062664      6.328390
  H      -0.905558     -2.995434      6.923837
  H      -1.283142     -2.588993      5.229559
  N      -4.629151     -3.772829      5.759234
  H      -5.533811     -3.320924      5.928072
  H      -4.173273     -3.956230      6.652040
86
Coordinates from ORCA-job orca E -5421.990706994966
  N      -3.973162     -3.380887      2.391403
  C      -3.894148     -4.068553      1.097731
  C      -3.101191     -5.357153      1.233345
  N      -3.657952     -6.127781      2.368624
  C      -4.892309     -6.864718      2.010936
  C      -5.818881     -6.838862      3.223328
  N      -5.960231     -5.461148      3.681599
  Mo     -4.135109     -4.573686      3.981436
  N      -2.214170     -5.119577      4.550028
  C      -1.641946     -6.232900      3.786635
  C      -2.686701     -7.019803      3.024307
  H      -1.137312     -6.965596      4.444897
  H      -0.858301     -5.881342      3.085825
  H      -3.257611     -7.641421      3.731375
  H      -2.205344     -7.692505      2.287984
  H      -6.781223     -7.303284      2.954321
  H      -5.395321     -7.480958      4.022114
  H      -5.379432     -6.341125      1.177438
  H      -4.643049     -7.888796      1.677448
  H      -3.410231     -3.448444      0.327523
  H      -4.909040     -4.296115      0.715906
  H      -2.055621     -5.115776      1.467468
  H      -3.124658     -5.953722      0.301631
  C      -1.504951      0.386403      1.087010
  C      -1.502143     -0.426679      2.156493
  C      -0.870177     -0.010029      3.458571
  C      -2.090167     -1.815482      2.105911
  C      -3.629094     -1.940988      2.359915
  C      -4.436815     -1.223938      1.261966
  C      -3.998139     -1.285694      3.692237
  C      -7.339370     -6.238580      6.634977
  C      -8.258326     -5.573754      5.916254
  C      -9.254443     -4.654265      6.576748
  C      -8.367480     -5.714022      4.416441
  C      -7.326809     -4.909959      3.564818
  C      -7.793307     -4.965300      2.092026
  C      -7.340666     -3.441085      3.987713
  C      -3.022731     -5.133295      8.655279
  C      -2.723240     -5.846254      7.555614
  C      -3.700032     -6.822187      6.961439
  C      -1.385598     -5.693917      6.874101
  C      -1.298021     -4.714157      5.652026
  C       0.181136     -4.733216      5.190582
  C      -1.552781     -3.268624      6.090307
  H      -1.084561      1.391498      1.136687
  H      -1.926716      0.073327      0.127371
  H      -1.564629     -0.118459      4.305847
  H      -0.519440      1.028136      3.422727
  H      -0.009575     -0.661166      3.684428
  H      -1.606752     -2.452342      2.864375
  H      -1.878221     -2.260395      1.120339
  H      -4.274487     -0.140055      1.320536
  H      -5.507673     -1.425608      1.407107
  H      -4.157610     -1.546273      0.249607
  H      -5.075759     -1.381129      3.872171
  H      -3.479515     -1.755572      4.537581
  H      -3.749223     -0.217311      3.659827
  H      -6.613315     -6.913499      6.174500
  H      -7.269450     -6.103030      7.720015
  H     -10.279226     -5.044644      6.449961
  H      -9.248376     -3.653296      6.113222
  H      -9.055158     -4.543166      7.652968
  H      -8.287063     -6.776387      4.137270
  H      -9.370997     -5.389672      4.095314
  H      -7.833349     -5.994412      1.709412
  H      -7.102976     -4.385923      1.464126
  H      -8.800339     -4.536089      1.986910
  H      -8.323236     -2.998305      3.766751
  H      -7.155514     -3.331193      5.061999
  H      -6.573514     -2.882320      3.437560
  H      -3.985797     -5.235940      9.161311
  H      -2.306049     -4.428466      9.083957
  H      -4.035998     -6.468997      5.966974
  H      -3.224385     -7.806376      6.810759
  H      -4.591498     -6.945308      7.590218
  H      -0.646144     -5.343721      7.611714
  H      -1.040393     -6.684491      6.529359
  H       0.563012     -5.743728      4.999296
  H       0.806322     -4.285655      5.976268
  H       0.303386     -4.133516      4.276398
  H      -2.592755     -3.085563      6.373035
  H      -0.900402     -3.011743      6.939186
  H      -1.309643     -2.594464      5.256681
  N      -4.628060     -3.805992      5.766513
  H      -5.558696     -3.418935      5.957538
  H      -4.163705     -4.010552      6.654831
86
Coordinates from ORCA-job orca E -5421.991819185540
  N      -3.967423     -3.383141      2.388716
  C      -3.885161     -4.064210      1.090229
  C      -3.095742     -5.354645      1.234273
  N      -3.659860     -6.116045      2.370197
  C      -4.892155     -6.855699      2.010937
  C      -5.824883     -6.830885      3.217908
  N      -5.972847     -5.454581      3.671870
  Mo     -4.143548     -4.563646      3.976831
  N      -2.243389     -5.109962      4.563534
  C      -1.656747     -6.217272      3.800176
  C      -2.695098     -7.009280      3.034286
  H      -1.140217     -6.942350      4.456850
  H      -0.879076     -5.851150      3.100313
  H      -3.270938     -7.626232      3.739563
  H      -2.212069     -7.686212      2.303434
  H      -6.782994     -7.294468      2.934341
  H      -5.410604     -7.475460      4.018536
  H      -5.377769     -6.334731      1.175798
  H      -4.638515     -7.880360      1.681858
  H      -3.392860     -3.444094      0.325556
  H      -4.899517     -4.284016      0.703644
  H      -2.051995     -5.115171      1.475470
  H      -3.113261     -5.955869      0.305496
  C      -1.464122      0.377919      1.094439
  C      -1.469106     -0.447488      2.151020
  C      -0.813176     -0.056462      3.446855
  C      -2.083415     -1.829129      2.087503
  C      -3.624604     -1.938808      2.358185
  C      -4.440239     -1.215823      1.273619
  C      -3.971782     -1.288848      3.699231
  C      -7.334832     -6.219199      6.627660
  C      -8.265039     -5.573865      5.913695
  C      -9.264373     -4.661311      6.571430
  C      -8.378024     -5.727224      4.418149
  C      -7.342858     -4.915556      3.562497
  C      -7.810756     -4.975046      2.090229
  C      -7.377457     -3.443924      3.977351
  C      -3.003368     -5.159680      8.676097
  C      -2.699521     -5.854141      7.566505
  C      -3.662224     -6.850807      6.980282
  C      -1.374637     -5.672040      6.871669
  C      -1.319986     -4.685211      5.654439
  C       0.150521     -4.673907      5.163140
  C      -1.591057     -3.243097      6.102284
  H      -1.022238      1.377216      1.151900
  H      -1.900167      0.083336      0.138287
  H      -1.504851     -0.156401      4.297438
  H      -0.435431      0.977574      3.418331
  H       0.035195     -0.729169      3.656998
  H      -1.600299     -2.482036      2.829818
  H      -1.887765     -2.264965      1.095981
  H      -4.260212     -0.133959      1.324997
  H      -5.512554     -1.401284      1.437582
  H      -4.183292     -1.548312      0.258467
  H      -5.048190     -1.383557      3.898283
  H      -3.442234     -1.762026      4.532544
  H      -3.719768     -0.220647      3.668643
  H      -6.609293     -6.889651      6.165805
  H      -7.253460     -6.072842      7.706384
  H     -10.285905     -5.054201      6.448533
  H      -9.260578     -3.666538      6.106576
  H      -9.066872     -4.546605      7.642109
  H      -8.288985     -6.788610      4.145881
  H      -9.385168     -5.412780      4.100660
  H      -7.842511     -6.005086      1.705586
  H      -7.122815     -4.388730      1.462588
  H      -8.822986     -4.553094      1.987154
  H      -8.369550     -3.019055      3.764158
  H      -7.188464     -3.318462      5.047937
  H      -6.623418     -2.871794      3.415946
  H      -3.957941     -5.288917      9.188665
  H      -2.299753     -4.446484      9.108675
  H      -4.013895     -6.504423      5.993640
  H      -3.170837     -7.826178      6.832581
  H      -4.541602     -6.987884      7.619736
  H      -0.630437     -5.317126      7.600391
  H      -1.022203     -6.655860      6.517752
  H       0.546159     -5.676816      4.954681
  H       0.784090     -4.220167      5.937651
  H       0.239969     -4.065437      4.250848
  H      -2.626687     -3.075800      6.407249
  H      -0.926711     -2.979029      6.936616
  H      -1.374704     -2.561840      5.266813
  N      -4.662658     -3.822587      5.764667
  H      -5.606971     -3.509602      5.966038
  H      -4.190857     -4.026955      6.645697
86
Coordinates from ORCA-job orca E -5421.992729177861
  N      -3.945649     -3.397310      2.385786
  C      -3.865023     -4.076065      1.084852
  C      -3.087594     -5.373759      1.231766
  N      -3.659366     -6.126273      2.369536
  C      -4.896357     -6.858918      2.010257
  C      -5.832179     -6.827190      3.213903
  N      -5.973752     -5.450317      3.666289
  Mo     -4.135552     -4.573110      3.973443
  N      -2.248475     -5.130805      4.566336
  C      -1.660676     -6.237678      3.803010
  C      -2.701773     -7.026203      3.037511
  H      -1.141130     -6.961092      4.459256
  H      -0.885333     -5.869100      3.101655
  H      -3.282981     -7.638069      3.742406
  H      -2.222776     -7.707891      2.308669
  H      -6.791427     -7.283808      2.922716
  H      -5.427947     -7.476596      4.015973
  H      -5.377498     -6.335294      1.174231
  H      -4.647649     -7.885578      1.683031
  H      -3.365686     -3.458329      0.322814
  H      -4.880175     -4.286656      0.695776
  H      -2.042320     -5.141961      1.474065
  H      -3.107870     -5.978154      0.305333
  C      -1.471943      0.389680      1.110015
  C      -1.488872     -0.430578      2.173208
  C      -0.871446     -0.026132      3.485047
  C      -2.080850     -1.818927      2.104005
  C      -3.623190     -1.947664      2.353383
  C      -4.435261     -1.239816      1.254863
  C      -3.995188     -1.297362      3.686873
  C      -7.331469     -6.205755      6.626019
  C      -8.255542     -5.544708      5.915093
  C      -9.235359     -4.616040      6.576263
  C      -8.379123     -5.698568      4.419615
  C      -7.339608     -4.902834      3.557107
  C      -7.814756     -4.965966      2.086296
  C      -7.363136     -3.428976      3.958221
  C      -2.992717     -5.167410      8.678317
  C      -2.682009     -5.863432      7.570967
  C      -3.633571     -6.876369      6.992606
  C      -1.361060     -5.673499      6.872075
  C      -1.319570     -4.694271      5.648931
  C       0.146841     -4.672475      5.145593
  C      -1.599436     -3.252264      6.092606
  H      -1.048209      1.394497      1.171784
  H      -1.880951      0.084653      0.144583
  H      -1.582964     -0.130483      4.319196
  H      -0.508266      1.010544      3.459500
  H      -0.018159     -0.686687      3.722863
  H      -1.599877     -2.463586      2.857210
  H      -1.862644     -2.252912      1.116634
  H      -4.264190     -0.156464      1.297571
  H      -5.506500     -1.430536      1.411457
  H      -4.168671     -1.578682      0.244567
  H      -5.071572     -1.405856      3.876546
  H      -3.465489     -1.756403      4.531357
  H      -3.759840     -0.224918      3.650625
  H      -6.623647     -6.888433      6.159443
  H      -7.238729     -6.061362      7.704054
  H     -10.266584     -4.986999      6.446222
  H      -9.209368     -3.615135      6.119883
  H      -9.035716     -4.515250      7.650748
  H      -8.303533     -6.760949      4.149560
  H      -9.384028     -5.373339      4.105000
  H      -7.860385     -5.996106      1.707935
  H      -7.122618     -4.393080      1.453734
  H      -8.821576     -4.533028      1.982764
  H      -8.351732     -3.001970      3.742410
  H      -7.170471     -3.288562      5.025509
  H      -6.609093     -2.868476      3.390991
  H      -3.946716     -5.305092      9.190732
  H      -2.298702     -4.441843      9.109018
  H      -3.992916     -6.536028      6.008106
  H      -3.131764     -7.846659      6.848948
  H      -4.508808     -7.020174      7.637169
  H      -0.615994     -5.309438      7.595953
  H      -1.004253     -6.657797      6.523548
  H       0.549293     -5.672981      4.936245
  H       0.783351     -4.210530      5.912985
  H       0.222337     -4.065365      4.230689
  H      -2.631495     -3.088852      6.410605
  H      -0.927338     -2.980770      6.918341
  H      -1.396966     -2.571566      5.252745
  N      -4.660997     -3.838716      5.766453
  H      -5.626517     -3.602878      5.988068
  H      -4.174827     -4.038179      6.638908
86
Coordinates from ORCA-job orca E -5421.993560517623
  N      -3.924616     -3.405525      2.387017
  C      -3.842334     -4.079263      1.083537
  C      -3.077071     -5.385179      1.231172
  N      -3.657935     -6.132779      2.367795
  C      -4.897907     -6.858471      2.002038
  C      -5.840654     -6.823423      3.199565
  N      -5.976968     -5.447036      3.653032
  Mo     -4.133598     -4.581866      3.971153
  N      -2.258993     -5.150092      4.575417
  C      -1.667743     -6.255171      3.813028
  C      -2.708109     -7.038821      3.041536
  H      -1.149809     -6.978515      4.471096
  H      -0.890763     -5.885018      3.113947
  H      -3.297595     -7.648170      3.742316
  H      -2.229014     -7.722658      2.314680
  H      -6.800588     -7.273836      2.899426
  H      -5.447686     -7.478093      4.003446
  H      -5.371588     -6.329768      1.164639
  H      -4.652118     -7.885686      1.673560
  H      -3.332402     -3.461797      0.328013
  H      -4.856854     -4.279761      0.687166
  H      -2.030428     -5.160404      1.476304
  H      -3.098410     -5.990746      0.305681
  C      -1.494330      0.399758      1.101182
  C      -1.500306     -0.414785      2.168597
  C      -0.884955      0.002419      3.477589
  C      -2.078364     -1.808704      2.104811
  C      -3.617539     -1.953149      2.358593
  C      -4.435840     -1.251611      1.261338
  C      -3.994698     -1.308663      3.691795
  C      -7.309881     -6.185780      6.615223
  C      -8.241795     -5.523755      5.914520
  C      -9.216543     -4.595884      6.586619
  C      -8.375716     -5.678069      4.419217
  C      -7.338083     -4.889792      3.547385
  C      -7.824474     -4.953188      2.078386
  C      -7.347187     -3.413077      3.944670
  C      -3.002775     -5.169171      8.679676
  C      -2.678182     -5.870586      7.579995
  C      -3.610416     -6.904829      7.009378
  C      -1.358693     -5.671063      6.881834
  C      -1.328378     -4.701901      5.652597
  C       0.135647     -4.670243      5.147480
  C      -1.618383     -3.261863      6.090245
  H      -1.080895      1.408652      1.156942
  H      -1.902803      0.084216      0.138347
  H      -1.593366     -0.103009      4.313591
  H      -0.531153      1.041124      3.446970
  H      -0.027152     -0.648800      3.717690
  H      -1.589166     -2.447343      2.857885
  H      -1.858287     -2.241907      1.116554
  H      -4.266332     -0.167885      1.299565
  H      -5.506217     -1.442845      1.423368
  H      -4.174377     -1.592387      0.250621
  H      -5.068313     -1.429439      3.885495
  H      -3.457692     -1.757924      4.535669
  H      -3.771974     -0.233152      3.652536
  H      -6.606040     -6.866060      6.135071
  H      -7.205184     -6.047069      7.693480
  H     -10.248803     -4.963196      6.462823
  H      -9.191821     -3.591921      6.135772
  H      -9.010813     -4.500698      7.660626
  H      -8.303835     -6.741817      4.150067
  H      -9.381737     -5.350777      4.109766
  H      -7.880870     -5.983909      1.702376
  H      -7.132396     -4.387809      1.439203
  H      -8.827916     -4.512444      1.980100
  H      -8.337229     -2.978894      3.739796
  H      -7.136525     -3.264645      5.010724
  H      -6.598746     -2.861143      3.363069
  H      -3.957850     -5.317703      9.188668
  H      -2.324084     -4.425601      9.106168
  H      -3.977724     -6.573711      6.024191
  H      -3.091904     -7.866949      6.871000
  H      -4.483210     -7.059722      7.656674
  H      -0.617343     -5.293535      7.603445
  H      -0.991286     -6.654821      6.542385
  H       0.546760     -5.667277      4.941952
  H       0.769534     -4.199733      5.911641
  H       0.203619     -4.065352      4.230763
  H      -2.645628     -3.099241      6.420758
  H      -0.938224     -2.983519      6.908233
  H      -1.429230     -2.582513      5.247304
  N      -4.675575     -3.864637      5.770741
  H      -5.659506     -3.719553      6.010070
  H      -4.178211     -4.068948      6.637585
86
Coordinates from ORCA-job orca E -5421.994293110110
  N      -3.906860     -3.410510      2.387185
  C      -3.822682     -4.082853      1.083162
  C      -3.070635     -5.397435      1.232779
  N      -3.659775     -6.140366      2.369236
  C      -4.902263     -6.859823      1.998862
  C      -5.849339     -6.819864      3.192764
  N      -5.980642     -5.442457      3.642930
  Mo     -4.133970     -4.587480      3.968637
  N      -2.269044     -5.165428      4.581943
  C      -1.676814     -6.271620      3.823014
  C      -2.716946     -7.051115      3.047991
  H      -1.163381     -6.995394      4.484583
  H      -0.896947     -5.904500      3.125798
  H      -3.313325     -7.657182      3.746128
  H      -2.237789     -7.737551      2.323458
  H      -6.810294     -7.266809      2.889195
  H      -5.464077     -7.476024      3.999496
  H      -5.370171     -6.327344      1.160320
  H      -4.659633     -7.887650      1.669640
  H      -3.301396     -3.468091      0.332979
  H      -4.836257     -4.273856      0.679437
  H      -2.022194     -5.179491      1.478698
  H      -3.094937     -6.004209      0.308437
  C      -1.515941      0.422571      1.113785
  C      -1.512433     -0.397044      2.176182
  C      -0.898557      0.018212      3.485950
  C      -2.079493     -1.794450      2.104133
  C      -3.615432     -1.956111      2.362993
  C      -4.441788     -1.257319      1.269815
  C      -3.997189     -1.321005      3.698821
  C      -7.300386     -6.177326      6.607617
  C      -8.229401     -5.501479      5.912681
  C      -9.187708     -4.560845      6.591883
  C      -8.375400     -5.654912      4.417552
  C      -7.338230     -4.879975      3.533770
  C      -7.830173     -4.962763      2.068224
  C      -7.337511     -3.397947      3.907032
  C      -3.001553     -5.163323      8.680749
  C      -2.668171     -5.873856      7.590420
  C      -3.583428     -6.928787      7.032353
  C      -1.351405     -5.665570      6.887402
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  C       0.126381     -4.674804      5.139036
  C      -1.628994     -3.265953      6.080365
  H      -1.109981      1.433894      1.173979
  H      -1.924404      0.107553      0.151149
  H      -1.604921     -0.094973      4.321491
  H      -0.550948      1.058753      3.460145
  H      -0.037527     -0.628173      3.723228
  H      -1.581272     -2.434869      2.849110
  H      -1.860184     -2.217305      1.111653
  H      -4.274684     -0.173138      1.307556
  H      -5.511310     -1.450489      1.437365
  H      -4.185699     -1.596115      0.257085
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  H      -3.453202     -1.764180      4.540274
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  H      -7.186212     -6.044780      7.686736
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  H      -8.978958     -4.477699      7.668583
  H      -8.312522     -6.720912      4.149442
  H      -9.381227     -5.320953      4.113595
  H      -7.892845     -5.998170      1.706782
  H      -7.138068     -4.409772      1.418353
  H      -8.831693     -4.519174      1.967817
  H      -8.327183     -2.964833      3.702859
  H      -7.113867     -3.226483      4.964526
  H      -6.593177     -2.860002      3.308053
  H      -3.954750     -5.320718      9.192106
  H      -2.335454     -4.402573      9.096047
  H      -3.961384     -6.610238      6.045749
  H      -3.048136     -7.882247      6.897338
  H      -4.452369     -7.094504      7.684499
  H      -0.612377     -5.273438      7.604528
  H      -0.972591     -6.648318      6.556465
  H       0.539554     -5.671961      4.938526
  H       0.762874     -4.197601      5.897942
  H       0.189258     -4.075025      4.218738
  H      -2.651109     -3.100286      6.426961
  H      -0.937403     -2.979426      6.887802
  H      -1.453353     -2.591176      5.231225
  N      -4.697454     -3.892399      5.776948
  H      -5.686128     -3.836892      6.026492
  H      -4.184553     -4.090790      6.636624
86
Coordinates from ORCA-job orca E -5421.994964658033
  N      -3.891866     -3.414948      2.386186
  C      -3.804315     -4.085934      1.083303
  C      -3.062918     -5.407035      1.234414
  N      -3.659812     -6.148846      2.367981
  C      -4.903458     -6.862564      1.990281
  C      -5.854962     -6.821863      3.180880
  N      -5.983749     -5.444320      3.630146
  Mo     -4.136882     -4.596937      3.964522
  N      -2.276333     -5.180718      4.585336
  C      -1.683161     -6.287458      3.829405
  C      -2.722343     -7.063339      3.049503
  H      -1.175999     -7.013063      4.494013
  H      -0.899376     -5.924347      3.134730
  H      -3.323871     -7.668659      3.743728
  H      -2.241789     -7.749539      2.325712
  H      -6.816050     -7.268122      2.877122
  H      -5.472938     -7.478238      3.988942
  H      -5.365801     -6.325306      1.151729
  H      -4.662720     -7.889589      1.658036
  H      -3.271433     -3.473984      0.338932
  H      -4.816113     -4.268995      0.670653
  H      -2.013469     -5.195355      1.482174
  H      -3.089405     -6.012864      0.309783
  C      -1.525640      0.441500      1.124777
  C      -1.518262     -0.383479      2.183008
  C      -0.909559      0.028796      3.495473
  C      -2.077364     -1.783682      2.103027
  C      -3.612110     -1.959476      2.364713
  C      -4.443765     -1.262469      1.273039
  C      -3.998505     -1.328646      3.701880
  C      -7.289621     -6.160392      6.609911
  C      -8.215377     -5.480400      5.915810
  C      -9.157033     -4.522515      6.591782
  C      -8.372412     -5.643014      4.423836
  C      -7.340118     -4.876022      3.525274
  C      -7.845341     -4.965446      2.063651
  C      -7.328236     -3.388932      3.889428
  C      -3.003577     -5.160970      8.677507
  C      -2.660174     -5.881021      7.597649
  C      -3.558038     -6.954252      7.050515
  C      -1.346032     -5.661314      6.891179
  C      -1.343805     -4.709973      5.648687
  C       0.115281     -4.665606      5.136460
  C      -1.656123     -3.273692      6.070692
  H      -1.124794      1.454535      1.189989
  H      -1.931194      0.127959      0.160970
  H      -1.617209     -0.090852      4.328603
  H      -0.566342      1.070853      3.474502
  H      -0.046560     -0.614859      3.733120
  H      -1.572229     -2.426616      2.841031
  H      -1.858144     -2.197709      1.107225
  H      -4.277786     -0.177515      1.309104
  H      -5.512935     -1.455900      1.444289
  H      -4.190631     -1.601629      0.259238
  H      -5.067789     -1.470228      3.901171
  H      -3.450279     -1.767136      4.543006
  H      -3.795997     -0.248751      3.663894
  H      -6.610943     -6.859244      6.121623
  H      -7.167123     -6.022274      7.686203
  H     -10.202269     -4.856170      6.470388
  H      -9.101768     -3.517202      6.144493
  H      -8.943693     -4.436461      7.666397
  H      -8.313259     -6.711215      4.161260
  H      -9.379700     -5.308280      4.125943
  H      -7.915977     -6.003905      1.707769
  H      -7.157834     -4.417685      1.401841
  H      -8.845954     -4.517273      1.972082
  H      -8.322472     -2.951166      3.703391
  H      -7.075175     -3.207198      4.941104
  H      -6.595667     -2.859596      3.263934
  H      -3.954215     -5.326803      9.190699
  H      -2.349816     -4.384947      9.080559
  H      -3.945241     -6.648885      6.063342
  H      -3.005792     -7.898053      6.916104
  H      -4.422435     -7.132459      7.705603
  H      -0.613022     -5.253200      7.605211
  H      -0.951555     -6.640353      6.568008
  H       0.537978     -5.658674      4.941287
  H       0.746924     -4.180296      5.893697
  H       0.173753     -4.068959      4.214103
  H      -2.674439     -3.117510      6.425481
  H      -0.963439     -2.974676      6.871391
  H      -1.496115     -2.600981      5.217543
  N      -4.724713     -3.919904      5.775612
  H      -5.711331     -3.958903      6.031438
  H      -4.191816     -4.096763      6.627919
86
Coordinates from ORCA-job orca E -5421.995562123714
  N      -3.880439     -3.417440      2.387856
  C      -3.785087     -4.087446      1.086136
  C      -3.052975     -5.413132      1.239994
  N      -3.660448     -6.156617      2.367693
  C      -4.904452     -6.865395      1.980790
  C      -5.860731     -6.825412      3.168437
  N      -5.988458     -5.446880      3.615703
  Mo     -4.144248     -4.605340      3.961802
  N      -2.286093     -5.196171      4.591191
  C      -1.692740     -6.304723      3.839066
  C      -2.729981     -7.075811      3.052002
  H      -1.193691     -7.033698      4.506355
  H      -0.902963     -5.945808      3.149131
  H      -3.337554     -7.680641      3.741194
  H      -2.247185     -7.761304      2.329139
  H      -6.821563     -7.272047      2.865575
  H      -5.479867     -7.480758      3.977799
  H      -5.361449     -6.323511      1.142381
  H      -4.664633     -7.891389      1.645126
  H      -3.239351     -3.478471      0.348255
  H      -4.793577     -4.263439      0.662003
  H      -2.003602     -5.208558      1.493438
  H      -3.078989     -6.015650      0.313153
  C      -1.543732      0.465926      1.143269
  C      -1.530861     -0.365117      2.196378
  C      -0.925640      0.044932      3.510685
  C      -2.079915     -1.769472      2.108112
  C      -3.614134     -1.960584      2.369486
  C      -4.450351     -1.267081      1.278192
  C      -4.008296     -1.335792      3.708401
  C      -7.256564     -6.127519      6.599392
  C      -8.188894     -5.447688      5.914721
  C      -9.111259     -4.473227      6.595906
  C      -8.370019     -5.625278      4.428901
  C      -7.344017     -4.874653      3.510731
  C      -7.861405     -4.982788      2.055722
  C      -7.319945     -3.382155      3.851101
  C      -3.007149     -5.154656      8.676084
  C      -2.656655     -5.887855      7.607274
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  C      -1.345062     -5.661221      6.896863
  C      -1.352495     -4.716059      5.647963
  C       0.104841     -4.672286      5.127830
  C      -1.667642     -3.276961      6.061803
  H      -1.148896      1.481635      1.214238
  H      -1.946947      0.154311      0.178074
  H      -1.632857     -0.082545      4.342567
  H      -0.588046      1.089490      3.494598
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  H      -5.518813     -1.463752      1.450450
  H      -4.196214     -1.606642      0.264392
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  H      -3.456659     -1.770903      4.549316
  H      -3.815729     -0.254373      3.674110
  H      -6.590637     -6.837316      6.106946
  H      -7.115669     -5.979649      7.672005
  H     -10.160658     -4.794254      6.491696
  H      -9.050661     -3.473425      6.140242
  H      -8.883602     -4.380784      7.665662
  H      -8.318427     -6.695565      4.176361
  H      -9.379760     -5.287960      4.141824
  H      -7.942773     -6.025323      1.715669
  H      -7.177539     -4.449399      1.378818
  H      -8.859663     -4.528657      1.967809
  H      -8.314967     -2.943066      3.676584
  H      -7.038786     -3.181695      4.891202
  H      -6.598581     -2.869185      3.199174
  H      -3.954946     -5.323063      9.192795
  H      -2.361085     -4.365402      9.064248
  H      -3.936582     -6.689264      6.085763
  H      -2.974320     -7.914580      6.941564
  H      -4.399473     -7.166309      7.733093
  H      -0.616674     -5.240445      7.607562
  H      -0.939110     -6.637539      6.580081
  H       0.526492     -5.667156      4.935686
  H       0.740243     -4.183938      5.880571
  H       0.161105     -4.080092      4.202159
  H      -2.683782     -3.121661      6.427543
  H      -0.969855     -2.966474      6.853261
  H      -1.518146     -2.610186      5.201093
  N      -4.759874     -3.957029      5.774884
  H      -5.737032     -4.101945      6.030555
  H      -4.213010     -4.124399      6.621013
86
Coordinates from ORCA-job orca E -5421.995921573169
  N      -3.870639     -3.418799      2.397053
  C      -3.771287     -4.086135      1.095071
  C      -3.046396     -5.414905      1.249160
  N      -3.661868     -6.160747      2.371005
  C      -4.907681     -6.863124      1.977358
  C      -5.866072     -6.825212      3.164113
  N      -5.991820     -5.446485      3.611156
  Mo     -4.147885     -4.613481      3.965601
  N      -2.289921     -5.211459      4.596473
  C      -1.698906     -6.321740      3.846151
  C      -2.737344     -7.086644      3.054072
  H      -1.205628     -7.054626      4.513797
  H      -0.904916     -5.966052      3.159563
  H      -3.348597     -7.691551      3.739607
  H      -2.255481     -7.771058      2.329958
  H      -6.827632     -7.270753      2.862090
  H      -5.484597     -7.480696      3.973121
  H      -5.361237     -6.315068      1.141200
  H      -4.670951     -7.888135      1.637094
  H      -3.216214     -3.479431      0.361660
  H      -4.777524     -4.254926      0.663129
  H      -1.997076     -5.218655      1.507493
  H      -3.073281     -6.012502      0.319141
  C      -1.559072      0.477025      1.134406
  C      -1.543598     -0.348972      2.192902
  C      -0.942340      0.073242      3.505612
  C      -2.082994     -1.759012      2.111960
  C      -3.615740     -1.960861      2.378425
  C      -4.458567     -1.274632      1.288915
  C      -4.010275     -1.338828      3.718854
  C      -7.257766     -6.117106      6.591747
  C      -8.183831     -5.427638      5.908449
  C      -9.087351     -4.436760      6.590916
  C      -8.374018     -5.609928      4.423448
  C      -7.344268     -4.870216      3.500367
  C      -7.860594     -4.991060      2.047057
  C      -7.308176     -3.374300      3.823268
  C      -2.993047     -5.164716      8.680650
  C      -2.642489     -5.903374      7.615486
  C      -3.522342     -7.003225      7.093589
  C      -1.335889     -5.671236      6.897862
  C      -1.356579     -4.724890      5.649555
  C       0.097949     -4.666679      5.123310
  C      -1.683966     -3.290340      6.068719
  H      -1.170651      1.496567      1.200243
  H      -1.958047      0.157284      0.169306
  H      -1.652999     -0.047667      4.338780
  H      -0.605423      1.120120      3.480656
  H      -0.075652     -0.565313      3.747779
  H      -1.563681     -2.397422      2.844016
  H      -1.862731     -2.168513      1.113045
  H      -4.300019     -0.188257      1.319917
  H      -5.525694     -1.474735      1.465390
  H      -4.205509     -1.618328      0.276155
  H      -5.076352     -1.500660      3.919840
  H      -3.452374     -1.770360      4.556053
  H      -3.825565     -0.256483      3.686845
  H      -6.606198     -6.840667      6.099966
  H      -7.110552     -5.966506      7.663903
  H     -10.142306     -4.741183      6.486954
  H      -9.008112     -3.437332      6.133462
  H      -8.857020     -4.347488      7.661735
  H      -8.330963     -6.681930      4.173720
  H      -9.381639     -5.266445      4.139381
  H      -7.950428     -6.035866      1.716768
  H      -7.173738     -4.469278      1.364613
  H      -8.855264     -4.530631      1.955798
  H      -8.302051     -2.932209      3.659406
  H      -7.001733     -3.162609      4.852908
  H      -6.595870     -2.875887      3.151656
  H      -3.936701     -5.334753      9.203637
  H      -2.348055     -4.370029      9.058836
  H      -3.925196     -6.723542      6.106010
  H      -2.948801     -7.934681      6.959862
  H      -4.374102     -7.196362      7.759312
  H      -0.607333     -5.244510      7.604842
  H      -0.924454     -6.643890      6.578279
  H       0.525058     -5.658024      4.925040
  H       0.733466     -4.177931      5.875494
  H       0.146323     -4.070955      4.199744
  H      -2.700025     -3.150716      6.442022
  H      -0.985532     -2.970806      6.855894
  H      -1.549338     -2.621464      5.208023
  N      -4.782743     -3.979029      5.778123
  H      -5.746458     -4.193777      6.035443
  H      -4.211207     -4.091952      6.616955
86
Coordinates from ORCA-job orca E -5421.996069106815
  N      -3.858068     -3.426228      2.396819
  C      -3.749597     -4.096468      1.096623
  C      -3.032047     -5.427230      1.258788
  N      -3.661113     -6.169531      2.375342
  C      -4.910372     -6.861463      1.972964
  C      -5.872273     -6.822438      3.156894
  N      -5.994559     -5.443488      3.605445
  Mo     -4.147643     -4.619858      3.965587
  N      -2.288853     -5.226222      4.596830
  C      -1.704934     -6.345635      3.856103
  C      -2.747738     -7.103823      3.062952
  H      -1.219888     -7.080013      4.528948
  H      -0.904420     -6.000593      3.170996
  H      -3.365885     -7.702488      3.748210
  H      -2.269538     -7.793473      2.341326
  H      -6.834860     -7.264820      2.853573
  H      -5.492139     -7.479234      3.965638
  H      -5.357251     -6.306265      1.137665
  H      -4.679524     -7.886786      1.629663
  H      -3.184918     -3.494459      0.366352
  H      -4.752522     -4.260787      0.654750
  H      -1.983589     -5.239327      1.526142
  H      -3.055925     -6.023833      0.327649
  C      -1.584913      0.499968      1.163552
  C      -1.566113     -0.332290      2.216510
  C      -0.983676      0.089684      3.538528
  C      -2.084615     -1.746957      2.122928
  C      -3.617783     -1.965804      2.371733
  C      -4.455760     -1.295203      1.268407
  C      -4.033195     -1.340839      3.704667
  C      -7.285737     -6.141700      6.589853
  C      -8.188805     -5.424225      5.902099
  C      -9.057143     -4.401347      6.578063
  C      -8.381627     -5.600252      4.415234
  C      -7.345954     -4.862191      3.495731
  C      -7.863101     -4.973991      2.040701
  C      -7.303485     -3.366185      3.825035
  C      -2.970208     -5.147432      8.683129
  C      -2.623992     -5.897192      7.622929
  C      -3.505224     -7.007501      7.121018
  C      -1.322216     -5.670637      6.896022
  C      -1.348013     -4.732664      5.639887
  C       0.103999     -4.683751      5.099803
  C      -1.665209     -3.290469      6.053194
  H      -1.214781      1.523662      1.240829
  H      -1.970543      0.182355      0.192107
  H      -1.698629     -0.048704      4.363194
  H      -0.665342      1.139855      3.524334
  H      -0.108561     -0.534367      3.785175
  H      -1.564765     -2.381796      2.858262
  H      -1.849152     -2.148692      1.125433
  H      -4.307412     -0.207566      1.291677
  H      -5.522013     -1.503194      1.435306
  H      -4.188284     -1.646194      0.262128
  H      -5.098793     -1.514983      3.895327
  H      -3.476221     -1.762271      4.550377
  H      -3.861934     -0.256198      3.669954
  H      -6.662891     -6.890842      6.103288
  H      -7.134808     -5.991841      7.662129
  H     -10.122613     -4.671801      6.472962
  H      -8.943688     -3.409448      6.114336
  H      -8.822391     -4.313548      7.647230
  H      -8.349664     -6.672104      4.160026
  H      -9.385514     -5.244384      4.133506
  H      -7.961018     -6.017221      1.704390
  H      -7.173663     -4.452736      1.359263
  H      -8.854909     -4.505494      1.953194
  H      -8.302860     -2.919619      3.691206
  H      -6.962424     -3.163031      4.849044
  H      -6.609106     -2.866561      3.132709
  H      -3.910724     -5.311832      9.213959
  H      -2.321617     -4.349336      9.050528
  H      -3.916357     -6.741779      6.132607
  H      -2.929521     -7.938924      6.993292
  H      -4.348184     -7.197160      7.799294
  H      -0.589006     -5.238825      7.595784
  H      -0.914375     -6.646009      6.579323
  H       0.522871     -5.680314      4.901700
  H       0.749946     -4.194119      5.843637
  H       0.147326     -4.093684      4.171837
  H      -2.679915     -3.149517      6.438267
  H      -0.958762     -2.963265      6.831527
  H      -1.537455     -2.628166      5.185316
  N      -4.796822     -3.987299      5.771097
  H      -5.742911     -4.268838      6.030808
  H      -4.215664     -4.068676      6.605735
86
Coordinates from ORCA-job orca E -5421.996168096085
  N      -3.863202     -3.426014      2.396673
  C      -3.753705     -4.095814      1.095320
  C      -3.034979     -5.426731      1.257997
  N      -3.663729     -6.169318      2.374753
  C      -4.912419     -6.861926      1.971700
  C      -5.874652     -6.824476      3.155306
  N      -5.999896     -5.445618      3.604165
  Mo     -4.152061     -4.619689      3.963437
  N      -2.292864     -5.222628      4.593402
  C      -1.706897     -6.342739      3.855398
  C      -2.749636     -7.102937      3.063019
  H      -1.220583     -7.075060      4.529417
  H      -0.906580     -5.998006      3.169934
  H      -3.366877     -7.701104      3.749204
  H      -2.271609     -7.793355      2.341836
  H      -6.835993     -7.268476      2.850734
  H      -5.493487     -7.480587      3.963902
  H      -5.359394     -6.306050      1.137088
  H      -4.681018     -7.887247      1.627674
  H      -3.188738     -3.493600      0.365510
  H      -4.756221     -4.259625      0.652273
  H      -1.986726     -5.238334      1.525998
  H      -3.057648     -6.023426      0.326797
  C      -1.568244      0.494523      1.172788
  C      -1.552807     -0.343441      2.221409
  C      -0.962305      0.068051      3.543019
  C      -2.081166     -1.755120      2.122532
  C      -3.615825     -1.965729      2.375815
  C      -4.453604     -1.285868      1.278747
  C      -4.021989     -1.345724      3.713791
  C      -7.288826     -6.164420      6.584053
  C      -8.185325     -5.430431      5.901613
  C      -9.036960     -4.395758      6.584548
  C      -8.386589     -5.601294      4.415311
  C      -7.352025     -4.867505      3.492562
  C      -7.871411     -4.987416      2.039867
  C      -7.312355     -3.371878      3.812327
  C      -2.969010     -5.139987      8.680663
  C      -2.620864     -5.887525      7.620225
  C      -3.498843     -7.001777      7.121591
  C      -1.321343     -5.656619      6.892005
  C      -1.355020     -4.721227      5.634687
  C       0.094852     -4.655728      5.096266
  C      -1.689088     -3.285246      6.047595
  H      -1.190467      1.516181      1.253847
  H      -1.958253      0.184465      0.201100
  H      -1.676410     -0.069214      4.368961
  H      -0.635904      1.116812      3.532903
  H      -0.090105     -0.563791      3.783345
  H      -1.563160     -2.396652      2.853108
  H      -1.850571     -2.153600      1.122893
  H      -4.296774     -0.199090      1.304830
  H      -5.521615     -1.487042      1.449539
  H      -4.192778     -1.636288      0.270530
  H      -5.088429     -1.515840      3.908347
  H      -3.463601     -1.775159      4.553759
  H      -3.844168     -0.261433      3.684743
  H      -6.679606     -6.923602      6.091687
  H      -7.130371     -6.019363      7.656616
  H     -10.105515     -4.652894      6.487665
  H      -8.916419     -3.405660      6.119517
  H      -8.792670     -4.310651      7.651624
  H      -8.359900     -6.671944      4.158733
  H      -9.390815     -5.239264      4.138989
  H      -7.972428     -6.030861      1.711056
  H      -7.181416     -4.473331      1.355922
  H      -8.862077     -4.517093      1.949199
  H      -8.314371     -2.930992      3.686977
  H      -6.960502     -3.163473      4.829350
  H      -6.626499     -2.874114      3.111745
  H      -3.908602     -5.307493      9.212055
  H      -2.322760     -4.340029      9.048965
  H      -3.912165     -6.739762      6.133262
  H      -2.920106     -7.931530      6.997222
  H      -4.338810     -7.192633      7.802730
  H      -0.588478     -5.221308      7.589753
  H      -0.910885     -6.630796      6.575366
  H       0.524679     -5.646331      4.898934
  H       0.734025     -4.159068      5.839685
  H       0.130683     -4.065897      4.167829
  H      -2.702341     -3.160468      6.431772
  H      -0.988200     -2.951494      6.826604
  H      -1.571524     -2.620299      5.180968
  N      -4.809111     -3.987323      5.767588
  H      -5.751733     -4.282697      6.031282
  H      -4.225763     -4.046005      6.602422
86
Coordinates from ORCA-job orca E -5421.996217887210
  N      -3.860751     -3.425874      2.402851
  C      -3.749407     -4.094153      1.101143
  C      -3.032195     -5.425815      1.262685
  N      -3.663430     -6.169051      2.377546
  C      -4.913517     -6.857088      1.971527
  C      -5.876865     -6.820780      3.154067
  N      -6.000424     -5.442874      3.607365
  Mo     -4.150529     -4.620757      3.968211
  N      -2.289932     -5.227794      4.594717
  C      -1.707273     -6.349624      3.857539
  C      -2.752426     -7.105881      3.065054
  H      -1.223483     -7.083227      4.531794
  H      -0.905461     -6.008184      3.172253
  H      -3.371653     -7.702376      3.750871
  H      -2.277159     -7.797221      2.343126
  H      -6.838728     -7.261946      2.847077
  H      -5.497960     -7.479646      3.961373
  H      -5.357585     -6.296735      1.138512
  H      -4.684700     -7.881748      1.624185
  H      -3.183282     -3.490811      0.373185
  H      -4.751162     -4.256400      0.656127
  H      -1.984117     -5.238925      1.532240
  H      -3.054039     -6.021323      0.330872
  C      -1.576032      0.491953      1.160167
  C      -1.555525     -0.339654      2.214314
  C      -0.958874      0.081010      3.530296
  C      -2.081993     -1.753309      2.126154
  C      -3.615567     -1.965524      2.382337
  C      -4.454459     -1.289362      1.284189
  C      -4.023505     -1.344870      3.719108
  C      -7.312777     -6.188088      6.576879
  C      -8.197786     -5.442120      5.895131
  C      -9.048757     -4.409299      6.584485
  C      -8.389398     -5.602417      4.406751
  C      -7.350381     -4.862427      3.492497
  C      -7.863288     -4.976333      2.036395
  C      -7.309211     -3.367890      3.819565
  C      -2.960856     -5.131787      8.681818
  C      -2.614823     -5.882857      7.623123
  C      -3.495406     -6.997070      7.129944
  C      -1.315834     -5.657567      6.892861
  C      -1.349207     -4.726138      5.633198
  C       0.100449     -4.664759      5.093800
  C      -1.680779     -3.289305      6.043866
  H      -1.198398      1.514880      1.232876
  H      -1.969625      0.175216      0.191826
  H      -1.668177     -0.052010      4.361598
  H      -0.633776      1.130522      3.512206
  H      -0.085133     -0.548822      3.768510
  H      -1.562481     -2.389507      2.860225
  H      -1.851619     -2.158118      1.128018
  H      -4.298826     -0.202440      1.307684
  H      -5.521981     -1.491585      1.455968
  H      -4.193997     -1.641769      0.276624
  H      -5.089117     -1.517452      3.913410
  H      -3.464448     -1.771344      4.559791
  H      -3.848444     -0.260335      3.688632
  H      -6.706245     -6.948576      6.080388
  H      -7.160755     -6.052736      7.650956
  H     -10.117150     -4.662602      6.479809
  H      -8.920068     -3.413014      6.128769
  H      -8.811346     -4.335523      7.656123
  H      -8.360365     -6.671413      4.144227
  H      -9.392266     -5.239881      4.128071
  H      -7.965087     -6.018680      1.702977
  H      -7.168633     -4.460753      1.357888
  H      -8.852258     -4.503775      1.942390
  H      -8.309784     -2.927242      3.701294
  H      -6.951365     -3.165919      4.834587
  H      -6.627067     -2.865996      3.120129
  H      -3.900474     -5.295920      9.214098
  H      -2.313485     -4.331296      9.047799
  H      -3.910314     -6.738821      6.141565
  H      -2.918437     -7.928415      7.009030
  H      -4.333481     -7.183642      7.814572
  H      -0.580514     -5.222488      7.587928
  H      -0.908974     -6.633895      6.578161
  H       0.528671     -5.656449      4.899226
  H       0.741161     -4.166379      5.834727
  H       0.135808     -4.078204      4.163435
  H      -2.692942     -3.163353      6.431358
  H      -0.978024     -2.955856      6.821242
  H      -1.564737     -2.624899      5.176980
  N      -4.808914     -3.983362      5.771115
  H      -5.759634     -4.250038      6.026812
  H      -4.230785     -4.031970      6.612152
86
Coordinates from ORCA-job orca E -5421.996270687280
  N      -3.856275     -3.428159      2.401603
  C      -3.741978     -4.096446      1.100306
  C      -3.026903     -5.429324      1.264012
  N      -3.662017     -6.170724      2.377885
  C      -4.912979     -6.854766      1.969148
  C      -5.879479     -6.816107      3.148685
  N      -6.000681     -5.438693      3.603315
  Mo     -4.147866     -4.620510      3.966683
  N      -2.290124     -5.231706      4.595895
  C      -1.708492     -6.354836      3.860617
  C      -2.754967     -7.109205      3.067821
  H      -1.226470     -7.088451      4.536161
  H      -0.905183     -6.015721      3.175729
  H      -3.377003     -7.702467      3.753867
  H      -2.281322     -7.803338      2.347567
  H      -6.841480     -7.253673      2.837237
  H      -5.505610     -7.477256      3.956378
  H      -5.353143     -6.292282      1.135603
  H      -4.686592     -7.879913      1.621842
  H      -3.174441     -3.492824      0.373822
  H      -4.742982     -4.258066      0.653359
  H      -1.979346     -5.243077      1.536041
  H      -3.046566     -6.025736      0.332877
  C      -1.583190      0.494723      1.159654
  C      -1.561470     -0.335664      2.214427
  C      -0.969373      0.087820      3.531504
  C      -2.083069     -1.750425      2.126625
  C      -3.615530     -1.967360      2.381116
  C      -4.455582     -1.295124      1.281611
  C      -4.027677     -1.349032      3.717239
  C      -7.314361     -6.190655      6.572115
  C      -8.193880     -5.439478      5.891998
  C      -9.037597     -4.402054      6.582817
  C      -8.386479     -5.598278      4.405123
  C      -7.349637     -4.856748      3.489803
  C      -7.864576     -4.967992      2.033752
  C      -7.310119     -3.362616      3.819441
  C      -2.955256     -5.129636      8.684720
  C      -2.611071     -5.881592      7.626409
  C      -3.492357     -6.996032      7.137519
  C      -1.313598     -5.658826      6.893492
  C      -1.348941     -4.729114      5.633039
  C       0.100169     -4.667248      5.093033
  C      -1.682691     -3.293372      6.043905
  H      -1.209767      1.518615      1.232228
  H      -1.973847      0.176283      0.190868
  H      -1.680051     -0.046537      4.361235
  H      -0.647762      1.137946      3.512981
  H      -0.094060     -0.538936      3.772257
  H      -1.562746     -2.384097      2.861808
  H      -1.850091     -2.154877      1.129277
  H      -4.303054     -0.208182      1.303597
  H      -5.522217     -1.500155      1.452772
  H      -4.194068     -1.648121      0.274768
  H      -5.092327     -1.526587      3.910312
  H      -3.467516     -1.772841      4.558282
  H      -3.857407     -0.263747      3.687258
  H      -6.713381     -6.954806      6.076028
  H      -7.161166     -6.055825      7.644612
  H     -10.107633     -4.648165      6.479601
  H      -8.902288     -3.406550      6.128393
  H      -8.799426     -4.331456      7.654109
  H      -8.355927     -6.666423      4.142083
  H      -9.390124     -5.236258      4.128580
  H      -7.966302     -6.010198      1.698371
  H      -7.169665     -4.450608      1.355973
  H      -8.853806     -4.495041      1.940867
  H      -8.314255     -2.926040      3.716331
  H      -6.940002     -3.162308      4.830151
  H      -6.638720     -2.854832      3.113424
  H      -3.893860     -5.293203      9.218970
  H      -2.308327     -4.328797      9.049604
  H      -3.907872     -6.741949      6.149630
  H      -2.916080     -7.928405      7.022778
  H      -4.329630     -7.178202      7.824517
  H      -0.575653     -5.224696      7.586094
  H      -0.909568     -6.636336      6.578983
  H       0.529460     -5.658686      4.899450
  H       0.741013     -4.166733      5.832304
  H       0.133055     -4.082076      4.161834
  H      -2.694113     -3.169196      6.434071
  H      -0.978835     -2.960503      6.820203
  H      -1.569503     -2.627666      5.178330
  N      -4.808838     -3.991834      5.772104
  H      -5.754576     -4.279416      6.030519
  H      -4.234457     -4.050482      6.615025
86
Coordinates from ORCA-job orca E -5421.996295142776
  N      -3.852480     -3.433297      2.398333
  C      -3.731456     -4.101690      1.097706
  C      -3.019344     -5.435701      1.265064
  N      -3.661091     -6.176226      2.375997
  C      -4.912621     -6.856284      1.961624
  C      -5.884212     -6.816170      3.136899
  N      -6.004017     -5.438939      3.592960
  Mo     -4.149657     -4.624814      3.962621
  N      -2.294253     -5.239649      4.596632
  C      -1.713096     -6.365295      3.865330
  C      -2.759451     -7.117200      3.070147
  H      -1.235092     -7.099137      4.543695
  H      -0.906602     -6.029974      3.182197
  H      -3.386216     -7.706899      3.755199
  H      -2.286238     -7.814281      2.352220
  H      -6.845884     -7.250908      2.820555
  H      -5.515797     -7.479382      3.945509
  H      -5.347476     -6.291249      1.126915
  H      -4.687636     -7.881647      1.613919
  H      -3.159271     -3.498437      0.374777
  H      -4.730286     -4.261961      0.644890
  H      -1.972776     -5.250527      1.542087
  H      -3.034866     -6.032563      0.334044
  C      -1.591641      0.503716      1.178081
  C      -1.570093     -0.331337      2.228491
  C      -0.988522      0.088385      3.551396
  C      -2.084821     -1.747011      2.131930
  C      -3.617150     -1.971007      2.378907
  C      -4.456330     -1.300550      1.276998
  C      -4.037054     -1.355212      3.713647
  C      -7.295887     -6.203220      6.559987
  C      -8.171391     -5.435918      5.890630
  C      -8.987666     -4.381923      6.590227
  C      -8.383026     -5.590695      4.406398
  C      -7.352074     -4.854498      3.482041
  C      -7.875628     -4.968032      2.029881
  C      -7.309311     -3.360538      3.808260
  C      -2.959068     -5.113858      8.683986
  C      -2.614098     -5.873535      7.630863
  C      -3.494330     -6.992979      7.149655
  C      -1.316815     -5.655170      6.896040
  C      -1.352715     -4.731761      5.630541
  C       0.096035     -4.674556      5.088311
  C      -1.685442     -3.293061      6.034616
  H      -1.224399      1.528525      1.257851
  H      -1.976073      0.188627      0.205918
  H      -1.702912     -0.054666      4.375507
  H      -0.673377      1.139721      3.540102
  H      -0.110772     -0.533520      3.795144
  H      -1.564784     -2.381240      2.866804
  H      -1.845942     -2.145852      1.134665
  H      -4.306644     -0.213299      1.299167
  H      -5.523007     -1.508045      1.445162
  H      -4.191692     -1.652638      0.270832
  H      -5.101506     -1.537811      3.902926
  H      -3.477765     -1.776126      4.556823
  H      -3.871888     -0.269187      3.684541
  H      -6.713938     -6.977891      6.057137
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  H     -10.063198     -4.608588      6.504670
  H      -8.844260     -3.392128      6.131487
  H      -8.731866     -4.312336      7.655660
  H      -8.359201     -6.658583      4.141247
  H      -9.388085     -5.222063      4.140599
  H      -7.983502     -6.010256      1.698746
  H      -7.181911     -4.456219      1.347495
  H      -8.863047     -4.490732      1.939916
  H      -8.318320     -2.926741      3.728859
  H      -6.914603     -3.159094      4.810164
  H      -6.655631     -2.850797      3.086808
  H      -3.897319     -5.275147      9.219798
  H      -2.313894     -4.308527      9.043601
  H      -3.910333     -6.747323      6.159166
  H      -2.916997     -7.926038      7.043884
  H      -4.331812     -7.170145      7.838065
  H      -0.577585     -5.218193      7.585513
  H      -0.913844     -6.634878      6.586440
  H       0.524323     -5.668086      4.900797
  H       0.738537     -4.169234      5.823300
  H       0.128095     -4.095608      4.152919
  H      -2.696013     -3.166283      6.429649
  H      -0.978387     -2.956181      6.807195
  H      -1.574868     -2.630742      5.165351
  N      -4.818525     -4.001854      5.766751
  H      -5.764406     -4.290026      6.021753
  H      -4.247634     -4.043754      6.612292
86
Coordinates from ORCA-job orca E -5421.996316862931
  N      -3.853052     -3.432179      2.399947
  C      -3.732380     -4.100225      1.099373
  C      -3.019560     -5.433601      1.266868
  N      -3.660962     -6.174422      2.377528
  C      -4.912535     -6.854020      1.963052
  C      -5.883977     -6.814053      3.138314
  N      -6.004065     -5.436988      3.594694
  Mo     -4.149237     -4.623348      3.964393
  N      -2.293671     -5.238332      4.597872
  C      -1.713001     -6.364106      3.866301
  C      -2.759674     -7.115632      3.071142
  H      -1.235360     -7.098409      4.544423
  H      -0.906437     -6.028946      3.183332
  H      -3.386594     -7.704921      3.756245
  H      -2.287051     -7.812881      2.353111
  H      -6.845459     -7.248811      2.821720
  H      -5.515751     -7.477498      3.946719
  H      -5.347284     -6.288725      1.128568
  H      -4.687807     -7.879394      1.615240
  H      -3.160452     -3.496730      0.376358
  H      -4.731257     -4.260517      0.646893
  H      -1.973231     -5.248002      1.543977
  H      -3.034762     -6.030341      0.335826
  C      -1.590650      0.500769      1.167548
  C      -1.568442     -0.330804      2.220955
  C      -0.983300      0.093476      3.540787
  C      -2.084437     -1.747322      2.130074
  C      -3.616852     -1.969790      2.379580
  C      -4.456917     -1.299919      1.278215
  C      -4.034650     -1.352311      3.714710
  C      -7.312513     -6.225224      6.557145
  C      -8.178367     -5.446400      5.888132
  C      -8.986609     -4.388904      6.590057
  C      -8.387231     -5.592075      4.401646
  C      -7.352214     -4.852805      3.482695
  C      -7.871067     -4.962483      2.028552
  C      -7.310308     -3.359235      3.812599
  C      -2.953095     -5.114686      8.689025
  C      -2.612019     -5.873119      7.634245
  C      -3.495949     -6.989649      7.153819
  C      -1.315743     -5.656238      6.896786
  C      -1.352448     -4.731013      5.632406
  C       0.095961     -4.672799      5.089233
  C      -1.685560     -3.292985      6.038410
  H      -1.221474      1.525918      1.242780
  H      -1.977090      0.182460      0.197046
  H      -1.696309     -0.045581      4.367438
  H      -0.666517      1.145116      3.524857
  H      -0.105918     -0.529137      3.784222
  H      -1.563911     -2.379571      2.866367
  H      -1.846887     -2.150072      1.133527
  H      -4.306216     -0.212428      1.298905
  H      -5.523694     -1.506530      1.448216
  H      -4.193720     -1.653735      0.271917
  H      -5.099321     -1.533841      3.905248
  H      -3.475197     -1.773387      4.557679
  H      -3.868361     -0.266317      3.684799
  H      -6.736960     -7.002791      6.052836
  H      -7.146563     -6.100733      7.630268
  H     -10.064311     -4.607094      6.501122
  H      -8.833772     -3.398534      6.135602
  H      -8.732093     -4.325757      7.656316
  H      -8.365974     -6.659163      4.130519
  H      -9.390409     -5.219892      4.135419
  H      -7.979345     -6.003907      1.694161
  H      -7.174381     -4.449539      1.349786
  H      -8.857498     -4.483870      1.936908
  H      -8.318663     -2.927099      3.734876
  H      -6.915687     -3.159950      4.814468
  H      -6.657993     -2.845767      3.093155
  H      -3.890076     -5.275548      9.226957
  H      -2.305317     -4.312502      9.048814
  H      -3.911043     -6.744410      6.163082
  H      -2.921469     -7.924383      7.049009
  H      -4.334097     -7.163577      7.841905
  H      -0.574440     -5.221231      7.585246
  H      -0.914879     -6.636005      6.585233
  H       0.524482     -5.666104      4.901151
  H       0.738860     -4.167481      5.823915
  H       0.127127     -4.093717      4.153992
  H      -2.696405     -3.167858      6.432706
  H      -0.979027     -2.956657      6.811627
  H      -1.575157     -2.629532      5.170186
  N      -4.816620     -3.999387      5.767767
  H      -5.762820     -4.290314      6.022864
  H      -4.248460     -4.044410      6.614969
86
Coordinates from ORCA-job orca E -5421.996329357846
  N      -3.850761     -3.432281      2.399065
  C      -3.730722     -4.099985      1.098534
  C      -3.019307     -5.433970      1.266298
  N      -3.661313     -6.174299      2.376750
  C      -4.913461     -6.852701      1.962115
  C      -5.884826     -6.812012      3.137272
  N      -6.004076     -5.434920      3.593195
  Mo     -4.148410     -4.623763      3.963535
  N      -2.293751     -5.239957      4.597402
  C      -1.713883     -6.366120      3.865902
  C      -2.761113     -7.116500      3.070459
  H      -1.237313     -7.101051      4.544144
  H      -0.907030     -6.031740      3.183030
  H      -3.388960     -7.705039      3.755329
  H      -2.289104     -7.814216      2.352574
  H      -6.846528     -7.246386      2.820668
  H      -5.517366     -7.475751      3.945758
  H      -5.347733     -6.287050      1.127650
  H      -4.689524     -7.878227      1.614434
  H      -3.157603     -3.497109      0.375887
  H      -4.729631     -4.258939      0.645639
  H      -1.972917     -5.249070      1.543518
  H      -3.034860     -6.030800      0.335366
  C      -1.587014      0.501047      1.167293
  C      -1.567181     -0.329598      2.221834
  C      -0.984922      0.095969      3.542475
  C      -2.082324     -1.746582      2.131106
  C      -3.615345     -1.969782      2.377908
  C      -4.453956     -1.301052      1.274533
  C      -4.036009     -1.351298      3.711859
  C      -7.310820     -6.228986      6.554631
  C      -8.176750     -5.448400      5.889442
  C      -8.986103     -4.395538      6.597423
  C      -8.386846     -5.590977      4.402851
  C      -7.352515     -4.850719      3.482472
  C      -7.872729     -4.961963      2.029284
  C      -7.310770     -3.356550      3.810015
  C      -2.951241     -5.111957      8.690401
  C      -2.612233     -5.872034      7.636216
  C      -3.497867     -6.987901      7.157429
  C      -1.316355     -5.657098      6.896929
  C      -1.353159     -4.732077      5.632220
  C       0.095331     -4.672739      5.089519
  C      -1.687350     -3.294396      6.037741
  H      -1.218025      1.526333      1.242127
  H      -1.971023      0.181595      0.196230
  H      -1.699595     -0.043016      4.367724
  H      -0.668830      1.147782      3.526341
  H      -0.107507     -0.525951      3.788426
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  H      -1.842520     -2.149814      1.135294
  H      -4.304259     -0.213398      1.294720
  H      -5.520787     -1.508197      1.442807
  H      -4.188624     -1.655226      0.268893
  H      -5.101106     -1.532627      3.900431
  H      -3.478146     -1.771599      4.556722
  H      -3.870085     -0.265351      3.681072
  H      -6.734483     -7.004127      6.046645
  H      -7.144164     -6.108457      7.627794
  H     -10.063268     -4.614766      6.507373
  H      -8.832949     -3.401327      6.148960
  H      -8.733052     -4.338692      7.665171
  H      -8.364926     -6.657466      4.130448
  H      -9.390606     -5.220073      4.138411
  H      -7.981992     -6.003730      1.696061
  H      -7.176389     -4.450097      1.349205
  H      -8.859090     -4.482751      1.938513
  H      -8.320095     -2.926310      3.736629
  H      -6.911615     -3.154523      4.809296
  H      -6.663138     -2.842476      3.086746
  H      -3.887826     -5.271513      9.229446
  H      -2.302290     -4.310079      9.048489
  H      -3.911611     -6.744069      6.165771
  H      -2.924970     -7.923791      7.054451
  H      -4.337687     -7.158988      7.844271
  H      -0.574062     -5.222222      7.584496
  H      -0.916374     -6.637260      6.585655
  H       0.524899     -5.665695      4.902933
  H       0.737447     -4.166170      5.823915
  H       0.126579     -4.094633      4.153735
  H      -2.698323     -3.169681      6.430374
  H      -0.982000     -2.957608      6.811532
  H      -1.576262     -2.630993      5.169555
  N      -4.815474     -3.999531      5.766752
  H      -5.761932     -4.288973      6.020884
  H      -4.248455     -4.041663      6.615180
86
Coordinates from ORCA-job orca E -5421.996339651529
  N      -3.849767     -3.432269      2.398652
  C      -3.728700     -4.099176      1.097865
  C      -3.017753     -5.433489      1.265801
  N      -3.660845     -6.174235      2.375319
  C      -4.912866     -6.852258      1.959188
  C      -5.885324     -6.811744      3.133417
  N      -6.004420     -5.434788      3.589540
  Mo     -4.148718     -4.624965      3.962427
  N      -2.295222     -5.241264      4.597975
  C      -1.714852     -6.367240      3.866670
  C      -2.761537     -7.116961      3.069671
  H      -1.239526     -7.102715      4.545224
  H      -0.907195     -6.032821      3.184749
  H      -3.390539     -7.705369      3.753631
  H      -2.288931     -7.814643      2.352135
  H      -6.846823     -7.245925      2.815725
  H      -5.519161     -7.476211      3.941978
  H      -5.346323     -6.286389      1.124419
  H      -4.688737     -7.877790      1.611459
  H      -3.154027     -3.496265      0.376383
  H      -4.727134     -4.257347      0.643453
  H      -1.971615     -5.248488      1.544138
  H      -3.032331     -6.030127      0.334659
  C      -1.587658      0.501161      1.165105
  C      -1.567843     -0.328134      2.220668
  C      -0.986176      0.099468      3.540867
  C      -2.082191     -1.745681      2.131102
  C      -3.615085     -1.969775      2.378029
  C      -4.453973     -1.300885      1.275158
  C      -4.035776     -1.351746      3.712169
  C      -7.307413     -6.239341      6.549956
  C      -8.170017     -5.451147      5.889558
  C      -8.969334     -4.394521      6.602420
  C      -8.386168     -5.589581      4.403684
  C      -7.353130     -4.850534      3.480934
  C      -7.876114     -4.962528      2.028800
  C      -7.310696     -3.355964      3.807587
  C      -2.953781     -5.108044      8.692186
  C      -2.616090     -5.870239      7.639193
  C      -3.502506     -6.986062      7.162042
  C      -1.320290     -5.657267      6.898967
  C      -1.356014     -4.732840      5.633705
  C       0.092985     -4.674184      5.092286
  C      -1.690222     -3.294829      6.037802
  H      -1.219195      1.526771      1.238772
  H      -1.971210      0.180006      0.194359
  H      -1.701087     -0.039107      4.366087
  H      -0.670746      1.151594      3.523700
  H      -0.108509     -0.521596      3.787860
  H      -1.561972     -2.376506      2.869084
  H      -1.842138     -2.149605      1.135470
  H      -4.305200     -0.213233      1.296448
  H      -5.520658     -1.508966      1.443072
  H      -4.188196     -1.653715      0.269233
  H      -5.100927     -1.532937      3.900336
  H      -3.478363     -1.772295      4.556873
  H      -3.869708     -0.265891      3.681658
  H      -6.738058     -7.017050      6.038637
  H      -7.135705     -6.122341      7.622417
  H     -10.048754     -4.604875      6.513563
  H      -8.808875     -3.399399      6.158045
  H      -8.713741     -4.344252      7.670195
  H      -8.367693     -6.655434      4.129137
  H      -9.389946     -5.215944      4.143228
  H      -7.987861     -6.004430      1.696569
  H      -7.180178     -4.452440      1.346918
  H      -8.861809     -4.481602      1.939675
  H      -8.320978     -2.927152      3.739900
  H      -6.906086     -3.152227      4.804625
  H      -6.668643     -2.840798      3.080397
  H      -3.890385     -5.266055      9.231698
  H      -2.304124     -4.305778      9.048430
  H      -3.914073     -6.744253      6.168940
  H      -2.930739     -7.922974      7.062165
  H      -4.344628     -7.154107      7.846755
  H      -0.577549     -5.222483      7.586120
  H      -0.920989     -6.637921      6.588432
  H       0.522732     -5.667491      4.907888
  H       0.734481     -4.166569      5.826530
  H       0.125397     -4.097520      4.155686
  H      -2.701680     -3.168937      6.428523
  H      -0.985735     -2.957657      6.812212
  H      -1.577352     -2.632224      5.169174
  N      -4.816863     -4.003712      5.766118
  H      -5.764147     -4.291550      6.018667
  H      -4.251845     -4.042104      6.616083
86
Coordinates from ORCA-job orca E -5421.996347861153
  N      -3.848737     -3.432077      2.396644
  C      -3.726744     -4.098953      1.095795
  C      -3.016761     -5.433819      1.264530
  N      -3.661203     -6.174099      2.373514
  C      -4.913171     -6.851773      1.956199
  C      -5.886541     -6.810743      3.129625
  N      -6.005002     -5.433677      3.585250
  Mo     -4.149116     -4.625693      3.960222
  N      -2.297062     -5.241722      4.597332
  C      -1.716527     -6.368161      3.866952
  C      -2.762949     -7.117344      3.068883
  H      -1.242682     -7.103957      4.546187
  H      -0.907969     -6.034280      3.185843
  H      -3.393002     -7.705273      3.752249
  H      -2.289820     -7.815334      2.351996
  H      -6.847991     -7.244659      2.811222
  H      -5.521591     -7.475789      3.938356
  H      -5.345884     -6.286028      1.120932
  H      -4.689057     -7.877484      1.608947
  H      -3.150209     -3.496787      0.375156
  H      -4.724644     -4.256091      0.639808
  H      -1.970841     -5.249057      1.543954
  H      -3.030631     -6.030623      0.333461
  C      -1.585522      0.501710      1.167595
  C      -1.567421     -0.327603      2.222988
  C      -0.988742      0.100067      3.544444
  C      -2.081089     -1.745179      2.131910
  C      -3.614448     -1.969729      2.375991
  C      -4.451295     -1.300847      1.271551
  C      -4.037602     -1.351456      3.709317
  C      -7.301674     -6.254292      6.543720
  C      -8.161439     -5.456966      5.890673
  C      -8.949246     -4.396990      6.611004
  C      -8.385123     -5.588830      4.405354
  C      -7.354132     -4.850074      3.480019
  C      -7.880767     -4.963072      2.029113
  C      -7.311505     -3.355014      3.805446
  C      -2.956023     -5.099755      8.693794
  C      -2.621155     -5.864945      7.642028
  C      -3.509765     -6.980168      7.167722
  C      -1.325501     -5.656041      6.900223
  C      -1.359197     -4.732878      5.633979
  C       0.090644     -4.676305      5.094174
  C      -1.692279     -3.293871      6.035776
  H      -1.217992      1.527434      1.242203
  H      -1.967106      0.180299      0.196256
  H      -1.705221     -0.039646      4.367972
  H      -0.674463      1.152425      3.528356
  H      -0.110845     -0.519932      3.793316
  H      -1.561850     -2.376145      2.870445
  H      -1.839074     -2.148506      1.136635
  H      -4.303528     -0.212995      1.293872
  H      -5.518232     -1.509810      1.437080
  H      -4.182866     -1.652720      0.265938
  H      -5.103417     -1.531636      3.894736
  H      -3.482434     -1.772698      4.555215
  H      -3.870708     -0.265688      3.679106
  H      -6.740458     -7.034309      6.026691
  H      -7.123481     -6.143111      7.615750
  H     -10.030491     -4.597803      6.526432
  H      -8.782882     -3.401835      6.170879
  H      -8.688795     -4.353402      7.677165
  H      -8.371080     -6.653932      4.126800
  H      -9.388955     -5.211234      4.150556
  H      -7.995639     -6.005134      1.698206
  H      -7.185533     -4.455162      1.344786
  H      -8.865678     -4.480131      1.942264
  H      -8.322964     -2.928008      3.743613
  H      -6.901434     -3.149039      4.800014
  H      -6.675660     -2.838784      3.073709
  H      -3.892699     -5.254570      9.234166
  H      -2.304174     -4.298109      9.047722
  H      -3.917878     -6.740987      6.172434
  H      -2.940514     -7.919146      7.072592
  H      -4.354849     -7.143009      7.850118
  H      -0.581490     -5.222017      7.586585
  H      -0.928418     -6.637895      6.590513
  H       0.519760     -5.670448      4.912274
  H       0.731766     -4.167916      5.828306
  H       0.124877     -4.101384      4.156591
  H      -2.704845     -3.165553      6.423274
  H      -0.989139     -2.956539      6.811425
  H      -1.575757     -2.632861      5.166319
  N      -4.817976     -4.006986      5.764398
  H      -5.765330     -4.295614      6.016314
  H      -4.254705     -4.039713      6.615470
86
Coordinates from ORCA-job orca E -5421.996351894655
  N      -3.848338     -3.431586      2.396316
  C      -3.725834     -4.098267      1.095210
  C      -3.016169     -5.433369      1.263712
  N      -3.661125     -6.173895      2.372313
  C      -4.912816     -6.851894      1.954129
  C      -5.886705     -6.811388      3.127238
  N      -6.005264     -5.434229      3.583027
  Mo     -4.149845     -4.626646      3.959238
  N      -2.298132     -5.241770      4.596823
  C      -1.716976     -6.368198      3.866820
  C      -2.762846     -7.117284      3.067794
  H      -1.243726     -7.104128      4.546301
  H      -0.907846     -6.034129      3.186461
  H      -3.392978     -7.705865      3.750526
  H      -2.288961     -7.814645      2.350780
  H      -6.848030     -7.245422      2.808660
  H      -5.521724     -7.476674      3.935805
  H      -5.345353     -6.285982      1.118857
  H      -4.688250     -7.877414      1.606601
  H      -3.148388     -3.496342      0.375057
  H      -4.723404     -4.254785      0.638350
  H      -1.970296     -5.249012      1.543585
  H      -3.029971     -6.029782      0.332393
  C      -1.584881      0.501908      1.167718
  C      -1.567228     -0.327159      2.223313
  C      -0.989286      0.100921      3.545018
  C      -2.080781     -1.744716      2.132192
  C      -3.614177     -1.969396      2.376075
  C      -4.450560     -1.300296      1.271547
  C      -4.037465     -1.351380      3.709392
  C      -7.300783     -6.261163      6.542284
  C      -8.157398     -5.458447      5.891598
  C      -8.938093     -4.394906      6.614228
  C      -8.384534     -5.588119      4.406804
  C      -7.354468     -4.850924      3.479852
  C      -7.883889     -4.965049      2.029895
  C      -7.310525     -3.355634      3.803378
  C      -2.957304     -5.096605      8.694688
  C      -2.623511     -5.862727      7.643230
  C      -3.512849     -6.977796      7.170416
  C      -1.328128     -5.655253      6.900719
  C      -1.361110     -4.732654      5.634180
  C       0.089161     -4.676055      5.095673
  C      -1.694588     -3.293545      6.034930
  H      -1.217679      1.527770      1.242324
  H      -1.965946      0.180029      0.196271
  H      -1.706036     -0.038980      4.368288
  H      -0.675484      1.153391      3.528995
  H      -0.111251     -0.518592      3.794330
  H      -1.561611     -2.375640      2.870713
  H      -1.838651     -2.148020      1.136898
  H      -4.303384     -0.212397      1.294905
  H      -5.517530     -1.509994      1.436204
  H      -4.181166     -1.651252      0.265898
  H      -5.103448     -1.531088      3.893958
  H      -3.482824     -1.773336      4.555132
  H      -3.869917     -0.265709      3.679841
  H      -6.745564     -7.044090      6.023513
  H      -7.119787     -6.152295      7.614074
  H     -10.020814     -4.588204      6.528893
  H      -8.765053     -3.399679      6.176696
  H      -8.677137     -4.355706      7.680557
  H      -8.373985     -6.652842      4.127098
  H      -9.387971     -5.207540      4.154612
  H      -8.001503     -6.007187      1.700729
  H      -7.189197     -4.459536      1.343474
  H      -8.868006     -4.480363      1.944358
  H      -8.322219     -2.928089      3.743276
  H      -6.897554     -3.148323      4.796617
  H      -6.676626     -2.841096      3.068795
  H      -3.894046     -5.250106      9.235279
  H      -2.304370     -4.295411      9.047713
  H      -3.919175     -6.739870      6.174065
  H      -2.944546     -7.917603      7.077408
  H      -4.358856     -7.138590      7.852070
  H      -0.583648     -5.221553      7.586780
  H      -0.931966     -6.637502      6.591018
  H       0.518415     -5.670154      4.914139
  H       0.729571     -4.167715      5.830392
  H       0.124157     -4.101151      4.158103
  H      -2.707899     -3.164876      6.420166
  H      -0.992966     -2.955911      6.811796
  H      -1.576270     -2.633230      5.165244
  N      -4.820500     -4.009734      5.763434
  H      -5.767100     -4.301287      6.013386
  H      -4.258662     -4.044746      6.615809
86
Coordinates from ORCA-job orca E -5421.996356371699
  N      -3.848575     -3.430851      2.395688
  C      -3.725959     -4.097561      1.094494
  C      -3.016325     -5.432788      1.262694
  N      -3.661383     -6.173115      2.371440
  C      -4.912688     -6.851628      1.953006
  C      -5.886829     -6.811435      3.125987
  N      -6.005270     -5.434240      3.581884
  Mo     -4.150197     -4.626520      3.958332
  N      -2.298858     -5.240462      4.595980
  C      -1.717284     -6.366972      3.866263
  C      -2.762852     -7.116317      3.066983
  H      -1.243957     -7.102658      4.545910
  H      -0.907992     -6.032583      3.186229
  H      -3.392658     -7.705468      3.749560
  H      -2.288451     -7.813220      2.349863
  H      -6.848130     -7.245153      2.807094
  H      -5.521845     -7.476943      3.934349
  H      -5.345239     -6.285723      1.117719
  H      -4.687737     -7.877004      1.605439
  H      -3.148572     -3.495634      0.374269
  H      -4.723508     -4.253971      0.637665
  H      -1.970397     -5.248788      1.542549
  H      -3.030410     -6.029023      0.331311
  C      -1.582627      0.500856      1.167959
  C      -1.565806     -0.328021      2.223666
  C      -0.987783      0.099928      3.545418
  C      -2.080185     -1.745132      2.132556
  C      -3.613737     -1.969013      2.375836
  C      -4.448995     -1.299506      1.270776
  C      -4.037617     -1.351447      3.709015
  C      -7.302693     -6.268636      6.541624
  C      -8.156799     -5.462411      5.892245
  C      -8.934448     -4.397562      6.616465
  C      -8.384150     -5.589476      4.407436
  C      -7.354595     -4.851663      3.480839
  C      -7.885560     -4.965170      2.030981
  C      -7.310766     -3.356339      3.804531
  C      -2.956939     -5.092832      8.695707
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  C      -1.361903     -4.731742      5.633731
  C       0.088757     -4.676288      5.095934
  C      -1.694765     -3.292083      6.033513
  H      -1.214905      1.526545      1.242498
  H      -1.963582      0.178951      0.196482
  H      -1.704460     -0.039667      4.368718
  H      -0.673695      1.152277      3.529399
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  H      -3.483702     -1.774361      4.554717
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  H      -6.750416     -7.052713      6.021294
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  H     -10.017711     -4.585789      6.528363
  H      -8.756334     -3.401915      6.182111
  H      -8.675257     -4.362416      7.683263
  H      -8.375449     -6.653661      4.126086
  H      -9.387210     -5.206838      4.156651
  H      -8.004278     -6.007294      1.701901
  H      -7.191200     -4.460008      1.343826
  H      -8.869492     -4.479834      1.946577
  H      -8.322208     -2.928123      3.742683
  H      -6.899326     -3.149174      4.798366
  H      -6.675516     -2.842691      3.070229
  H      -3.893605     -5.244815      9.236757
  H      -2.302465     -4.292714      9.048389
  H      -3.920293     -6.735737      6.174956
  H      -2.949482     -7.914398      7.081601
  H      -4.362508     -7.131254      7.853678
  H      -0.584253     -5.221465      7.586016
  H      -0.935901     -6.636877      6.590377
  H       0.517338     -5.670640      4.914054
  H       0.729091     -4.168569      5.831126
  H       0.124341     -4.101093      4.158548
  H      -2.709051     -3.162315      6.416238
  H      -0.994615     -2.954993      6.811972
  H      -1.573734     -2.632436      5.163760
  N      -4.821209     -4.011204      5.763413
  H      -5.766919     -4.305814      6.014180
  H      -4.258256     -4.043321      6.614891
86
Coordinates from ORCA-job orca E -5421.996359382742
  N      -3.848351     -3.430833      2.395639
  C      -3.725922     -4.097551      1.094473
  C      -3.016571     -5.432860      1.262297
  N      -3.661695     -6.173053      2.371176
  C      -4.912956     -6.851547      1.952632
  C      -5.887210     -6.811505      3.125488
  N      -6.005429     -5.434255      3.581622
  Mo     -4.150545     -4.626696      3.958104
  N      -2.299196     -5.240370      4.595572
  C      -1.717631     -6.367065      3.865894
  C      -2.763134     -7.116321      3.066605
  H      -1.244264     -7.102639      4.545620
  H      -0.908272     -6.032697      3.185999
  H      -3.392795     -7.705720      3.749114
  H      -2.288763     -7.812986      2.349244
  H      -6.848627     -7.244656      2.806330
  H      -5.522342     -7.477108      3.933758
  H      -5.345342     -6.285266      1.117510
  H      -4.687965     -7.876755      1.604782
  H      -3.148869     -3.495510      0.374093
  H      -4.723614     -4.253848      0.637971
  H      -1.970481     -5.249475      1.541855
  H      -3.031264     -6.028926      0.330865
  C      -1.581521      0.500625      1.168208
  C      -1.565255     -0.328354      2.223851
  C      -0.988019      0.099382      3.546033
  C      -2.079836     -1.745252      2.132619
  C      -3.613359     -1.968969      2.375881
  C      -4.448568     -1.299425      1.270694
  C      -4.037368     -1.351460      3.709038
  C      -7.304572     -6.272367      6.541301
  C      -8.157336     -5.464438      5.892296
  C      -8.933836     -4.398947      6.617269
  C      -8.384111     -5.590049      4.407161
  C      -7.354546     -4.851612      3.481143
  C      -7.885650     -4.964628      2.031155
  C      -7.310067     -3.356253      3.804825
  C      -2.954703     -5.090335      8.696746
  C      -2.624077     -5.857203      7.644589
  C      -3.517118     -6.969981      7.173654
  C      -1.329575     -5.653364      6.900023
  C      -1.361870     -4.731541      5.633216
  C       0.088674     -4.675661      5.095316
  C      -1.695326     -3.291995      6.032793
  H      -1.213759      1.526206      1.243060
  H      -1.961996      0.178942      0.196482
  H      -1.705118     -0.040056      4.369003
  H      -0.673713      1.151652      3.530170
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  H      -1.837886     -2.148672      1.137410
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  H      -4.177615     -1.649505      0.265178
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  H      -6.753377     -7.056769      6.019964
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  H      -8.752890     -3.403150      6.184585
  H      -8.676255     -4.365917      7.684407
  H      -8.375907     -6.654053      4.124845
  H      -9.386961     -5.206543      4.156832
  H      -8.004699     -6.006786      1.702004
  H      -7.191094     -4.459513      1.344051
  H      -8.869456     -4.479060      1.946889
  H      -8.320599     -2.926698      3.740259
  H      -6.900407     -3.149647      4.799318
  H      -6.672080     -2.844152      3.071727
  H      -3.891097     -5.241343      9.238508
  H      -2.299166     -4.290806      9.048928
  H      -3.920374     -6.732685      6.176029
  H      -2.952315     -7.912350      7.084679
  H      -4.363655     -7.125791      7.855749
  H      -0.582612     -5.221891      7.584714
  H      -0.937303     -6.636974      6.589565
  H       0.517589     -5.669728      4.913037
  H       0.728726     -4.167811      5.830610
  H       0.123822     -4.100236      4.158026
  H      -2.710094     -3.162598      6.414355
  H      -0.996316     -2.955077      6.812388
  H      -1.573441     -2.632216      5.163332
  N      -4.821942     -4.011325      5.763353
  H      -5.767025     -4.307974      6.013563
  H      -4.258734     -4.046504      6.614750
86
Coordinates from ORCA-job orca E -5421.996362385933
  N      -3.848153     -3.431030      2.395951
  C      -3.725726     -4.097421      1.094780
  C      -3.016437     -5.432715      1.262166
  N      -3.661704     -6.173058      2.370932
  C      -4.912951     -6.851322      1.952056
  C      -5.887475     -6.811656      3.124615
  N      -6.005585     -5.434517      3.581270
  Mo     -4.150866     -4.626973      3.958099
  N      -2.299408     -5.240710      4.595700
  C      -1.717902     -6.367399      3.865804
  C      -2.763328     -7.116448      3.066361
  H      -1.244518     -7.102951      4.545556
  H      -0.908475     -6.032982      3.186048
  H      -3.393153     -7.705856      3.748730
  H      -2.289103     -7.813070      2.348861
  H      -6.848946     -7.244104      2.804788
  H      -5.523081     -7.477488      3.932829
  H      -5.345038     -6.284513      1.117147
  H      -4.687913     -7.876351      1.603773
  H      -3.149258     -3.494871      0.374383
  H      -4.723592     -4.253884      0.638612
  H      -1.970226     -5.249782      1.541562
  H      -3.031476     -6.028598      0.330628
  C      -1.581612      0.500478      1.167622
  C      -1.565240     -0.328198      2.223525
  C      -0.987554      0.099868      3.545388
  C      -2.079835     -1.745144      2.132936
  C      -3.613261     -1.968999      2.376466
  C      -4.448907     -1.299435      1.271440
  C      -4.037453     -1.351791      3.709738
  C      -7.306538     -6.274803      6.540928
  C      -8.158157     -5.465775      5.891835
  C      -8.934326     -4.400099      6.617143
  C      -8.384227     -5.590551      4.406470
  C      -7.354621     -4.851578      3.480884
  C      -7.885554     -4.964041      2.030863
  C      -7.309677     -3.356304      3.804820
  C      -2.951764     -5.088795      8.698451
  C      -2.622832     -5.855674      7.645813
  C      -3.518229     -6.966717      7.175114
  C      -1.328819     -5.653545      6.899945
  C      -1.361519     -4.731796      5.633092
  C       0.088766     -4.675852      5.094621
  C      -1.695188     -3.292267      6.032670
  H      -1.213431      1.525991      1.242059
  H      -1.962290      0.178662      0.196014
  H      -1.704291     -0.039093      4.368723
  H      -0.672930      1.152081      3.529077
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  H      -1.561453     -2.376142      2.871922
  H      -1.838207     -2.148942      1.137795
  H      -4.302445     -0.211416      1.296001
  H      -5.515897     -1.510293      1.434541
  H      -4.178188     -1.649478      0.265802
  H      -5.103529     -1.531785      3.893104
  H      -3.483045     -1.774206      4.555536
  H      -3.869741     -0.266099      3.681597
  H      -6.755715     -7.059166      6.019097
  H      -7.126602     -6.170857      7.613323
  H     -10.017815     -4.583285      6.524402
  H      -8.750652     -3.403894      6.186297
  H      -8.679069     -4.369284      7.684947
  H      -8.375640     -6.654397      4.123757
  H      -9.387113     -5.207114      4.156244
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  H      -7.190725     -4.458854      1.344185
  H      -8.869312     -4.478488      1.946420
  H      -8.319630     -2.925493      3.738214
  H      -6.901369     -3.150594      4.800021
  H      -6.669059     -2.845371      3.072969
  H      -3.887787     -5.239099      9.241028
  H      -2.295142     -4.290302      9.050564
  H      -3.920264     -6.729205      6.177176
  H      -2.955487     -7.910458      7.087574
  H      -4.365034     -7.120037      7.857394
  H      -0.580323     -5.223198      7.583634
  H      -0.938415     -6.637785      6.589150
  H       0.517948     -5.669835      4.912489
  H       0.728801     -4.167400      5.829531
  H       0.123358     -4.100759      4.157090
  H      -2.710361     -3.162967      6.413322
  H      -0.997100     -2.955839      6.813362
  H      -1.572327     -2.632059      5.163699
  N      -4.822331     -4.011373      5.763580
  H      -5.767242     -4.308927      6.013762
  H      -4.258325     -4.048033      6.614332
86
Coordinates from ORCA-job orca E -5421.996365332394
  N      -3.847535     -3.431700      2.396494
  C      -3.725076     -4.097532      1.095199
  C      -3.016025     -5.432933      1.262238
  N      -3.661715     -6.173500      2.370638
  C      -4.913085     -6.851153      1.951188
  C      -5.887996     -6.811825      3.123330
  N      -6.005891     -5.434868      3.580629
  Mo     -4.151202     -4.627688      3.958106
  N      -2.299748     -5.242010      4.596191
  C      -1.718490     -6.368670      3.866030
  C      -2.763968     -7.117246      3.066321
  H      -1.245313     -7.104367      4.545796
  H      -0.908952     -6.034355      3.186386
  H      -3.394406     -7.706209      3.748509
  H      -2.290064     -7.814201      2.348938
  H      -6.849508     -7.243512      2.802624
  H      -5.524440     -7.478057      3.931526
  H      -5.344722     -6.283698      1.116509
  H      -4.688169     -7.876058      1.602420
  H      -3.148984     -3.494455      0.374973
  H      -4.723059     -4.254021      0.639160
  H      -1.969735     -5.250517      1.541687
  H      -3.031232     -6.028627      0.330564
  C      -1.582590      0.500637      1.166999
  C      -1.565884     -0.327770      2.223116
  C      -0.988526      0.100811      3.544941
  C      -2.079865     -1.744986      2.132987
  C      -3.612982     -1.969393      2.377431
  C      -4.449832     -1.299599      1.273391
  C      -4.036344     -1.352762      3.711261
  C      -7.308482     -6.277413      6.539492
  C      -8.158992     -5.467088      5.890605
  C      -8.934286     -4.401170      6.616447
  C      -8.384755     -5.590801      4.405019
  C      -7.354872     -4.851300      3.479947
  C      -7.885094     -4.962740      2.029678
  C      -7.309302     -3.356120      3.804732
  C      -2.947571     -5.085848      8.700580
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  C      -1.327628     -5.653816      6.900092
  C      -1.361165     -4.732522      5.632866
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  C      -1.695043     -3.292980      6.032226
  H      -1.214695      1.526211      1.241235
  H      -1.963143      0.178613      0.195408
  H      -1.705396     -0.037857      4.368244
  H      -0.673906      1.152988      3.528276
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  H      -1.560760     -2.375619      2.871801
  H      -1.838754     -2.148901      1.137784
  H      -4.303379     -0.211583      1.297939
  H      -5.516655     -1.510572      1.437448
  H      -4.180170     -1.649460      0.267383
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  H      -3.480823     -1.774621      4.556538
  H      -3.869413     -0.266904      3.683110
  H      -6.757969     -7.061604      6.017090
  H      -7.129117     -6.174402      7.612040
  H     -10.017996     -4.581594      6.521251
  H      -8.747449     -3.404566      6.187795
  H      -8.681338     -4.373033      7.684861
  H      -8.375504     -6.654535      4.121782
  H      -9.387757     -5.207749      4.154886
  H      -8.003500     -6.004681      1.699490
  H      -7.189880     -4.456737      1.343881
  H      -8.868962     -4.477434      1.945087
  H      -8.318556     -2.924180      3.736521
  H      -6.902152     -3.151450      4.800633
  H      -6.666296     -2.845885      3.074401
  H      -3.883225     -5.234752      9.244213
  H      -2.289586     -4.288180      9.052043
  H      -3.919618     -6.725096      6.179276
  H      -2.958971     -7.908139      7.092140
  H      -4.366827     -7.112696      7.859708
  H      -0.577262     -5.224363      7.582287
  H      -0.939259     -6.638868      6.589348
  H       0.518360     -5.670518      4.912345
  H       0.728792     -4.166481      5.827032
  H       0.122376     -4.102759      4.154894
  H      -2.710514     -3.163764      6.412174
  H      -0.997762     -2.956771      6.813793
  H      -1.571323     -2.632396      5.163622
  N      -4.822730     -4.011992      5.763931
  H      -5.767551     -4.309788      6.013975
  H      -4.257807     -4.050000      6.613967
86
Coordinates from ORCA-job orca E -5421.996368412348
  N      -3.846955     -3.432392      2.397152
  C      -3.724162     -4.097640      1.095626
  C      -3.015331     -5.433196      1.262491
  N      -3.661670     -6.174104      2.370260
  C      -4.913199     -6.851042      1.950066
  C      -5.888539     -6.812106      3.121831
  N      -6.006270     -5.435405      3.579911
  Mo     -4.151583     -4.628626      3.958080
  N      -2.299976     -5.243639      4.596764
  C      -1.719087     -6.370221      3.866361
  C      -2.764731     -7.118273      3.066383
  H      -1.246267     -7.106237      4.546073
  H      -0.909416     -6.036148      3.186748
  H      -3.395963     -7.706539      3.748427
  H      -2.291119     -7.815791      2.349350
  H      -6.850036     -7.243323      2.800359
  H      -5.525782     -7.478876      3.929927
  H      -5.344422     -6.283015      1.115579
  H      -4.688471     -7.875868      1.600824
  H      -3.148041     -3.494183      0.375774
  H      -4.722067     -4.254086      0.639276
  H      -1.969082     -5.251106      1.542370
  H      -3.030279     -6.028653      0.330623
  C      -1.584704      0.501463      1.167478
  C      -1.567073     -0.326886      2.223589
  C      -0.988729      0.101939      3.544863
  C      -2.080313     -1.744486      2.133637
  C      -3.613259     -1.969822      2.378428
  C      -4.450977     -1.300259      1.274830
  C      -4.036709     -1.353775      3.712538
  C      -7.309310     -6.278548      6.537818
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  C      -8.385361     -5.590549      4.403623
  C      -7.355244     -4.851160      3.478676
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  C      -2.943153     -5.083207      8.702772
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  C      -1.326429     -5.654425      6.900326
  C      -1.360850     -4.733601      5.632680
  C       0.088566     -4.677699      5.092123
  C      -1.694639     -3.294067      6.031922
  H      -1.216939      1.527163      1.241466
  H      -1.965833      0.179374      0.196158
  H      -1.705087     -0.036502      4.368632
  H      -0.673921      1.154122      3.527819
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  H      -4.181869     -1.650161      0.268666
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  H      -3.480184     -1.774764      4.557696
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  H      -6.759057     -7.062709      6.015238
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  H     -10.017603     -4.579277      6.518584
  H      -8.744262     -3.404270      6.188636
  H      -8.682295     -4.375239      7.684275
  H      -8.375594     -6.654268      4.120250
  H      -9.388530     -5.207969      4.153496
  H      -8.002751     -6.003757      1.697512
  H      -7.189426     -4.455524      1.343239
  H      -8.868783     -4.476961      1.943569
  H      -8.318195     -2.923642      3.735793
  H      -6.902034     -3.152135      4.800245
  H      -6.665222     -2.846027      3.074385
  H      -3.878560     -5.230467      9.247328
  H      -2.283583     -4.286611      9.053663
  H      -3.918448     -6.720930      6.181266
  H      -2.962143     -7.905982      7.096273
  H      -4.368877     -7.105790      7.861288
  H      -0.574396     -5.225583      7.581088
  H      -0.939759     -6.640175      6.589704
  H       0.518774     -5.671844      4.912998
  H       0.728870     -4.165858      5.824525
  H       0.121605     -4.105702      4.152672
  H      -2.710402     -3.164663      6.411003
  H      -0.998078     -2.958172      6.814269
  H      -1.569765     -2.633142      5.163716
  N      -4.823093     -4.012777      5.764139
  H      -5.767902     -4.310504      6.014273
  H      -4.257293     -4.051656      6.613491
86
Coordinates from ORCA-job orca E -5421.996371389322
  N      -3.846247     -3.433057      2.397842
  C      -3.723193     -4.097840      1.096014
  C      -3.014687     -5.433648      1.262907
  N      -3.661734     -6.174762      2.370020
  C      -4.913417     -6.850977      1.949177
  C      -5.889095     -6.812256      3.120710
  N      -6.006636     -5.435841      3.579527
  Mo     -4.151853     -4.629462      3.958039
  N      -2.300142     -5.245215      4.597387
  C      -1.719752     -6.371798      3.866893
  C      -2.765708     -7.119347      3.066746
  H      -1.247302     -7.108212      4.546476
  H      -0.909973     -6.038088      3.187188
  H      -3.397765     -7.706707      3.748790
  H      -2.292361     -7.817640      2.350293
  H      -6.850547     -7.243296      2.798751
  H      -5.526945     -7.479620      3.928607
  H      -5.344310     -6.282571      1.114790
  H      -4.689014     -7.875809      1.599641
  H      -3.146592     -3.494350      0.376594
  H      -4.720905     -4.253934      0.639152
  H      -1.968576     -5.251760      1.543417
  H      -3.029141     -6.028849      0.330849
  C      -1.586719      0.502139      1.167495
  C      -1.568101     -0.326293      2.223529
  C      -0.989944      0.102838      3.544796
  C      -2.080402     -1.744292      2.133489
  C      -3.613025     -1.970337      2.379455
  C      -4.451939     -1.300620      1.277041
  C      -4.034924     -1.354884      3.714308
  C      -7.310424     -6.278320      6.536261
  C      -8.160660     -5.467561      5.887546
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  C      -7.355568     -4.851034      3.477628
  C      -7.884075     -4.960857      2.026988
  C      -7.309326     -3.356348      3.804391
  C      -2.938626     -5.080670      8.704869
  C      -2.616869     -5.849902      7.652021
  C      -3.519716     -6.955522      7.182740
  C      -1.325052     -5.654697      6.900569
  C      -1.360445     -4.734595      5.632275
  C       0.088608     -4.679280      5.090555
  C      -1.693660     -3.294787      6.031122
  H      -1.219897      1.528113      1.241543
  H      -1.967990      0.179935      0.196257
  H      -1.706431     -0.035761      4.368445
  H      -0.675567      1.155034      3.527640
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  H      -6.759103     -7.061907      6.014074
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  H     -10.019853     -4.579950      6.515294
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  H      -8.686253     -4.377771      7.683015
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  H      -9.389476     -5.208722      4.151061
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  H      -8.868221     -4.476169      1.942038
  H      -8.318520     -2.923885      3.736782
  H      -6.902305     -3.153054      4.800817
  H      -6.665594     -2.845250      3.075254
  H      -3.873870     -5.226245      9.250171
  H      -2.277463     -4.285179      9.055278
  H      -3.916370     -6.716672      6.183058
  H      -2.964099     -7.903828      7.099662
  H      -4.370285     -7.099792      7.862250
  H      -0.571744     -5.225962      7.579991
  H      -0.939584     -6.640991      6.590208
  H       0.518959     -5.673783      4.913398
  H       0.729461     -4.165734      5.821326
  H       0.120952     -4.109273      4.149903
  H      -2.709586     -3.164787      6.409705
  H      -0.997305     -2.958927      6.813669
  H      -1.567816     -2.633988      5.162893
  N      -4.823169     -4.013390      5.764231
  H      -5.767912     -4.310680      6.014949
  H      -4.256372     -4.052378      6.612832
86
Coordinates from ORCA-job orca E -5421.996373850879
  N      -3.845710     -3.433560      2.398343
  C      -3.722198     -4.098185      1.096292
  C      -3.014151     -5.434294      1.263394
  N      -3.661977     -6.175466      2.369905
  C      -4.913790     -6.851069      1.948552
  C      -5.889676     -6.812379      3.120016
  N      -6.006963     -5.436208      3.579499
  Mo     -4.152085     -4.630198      3.957970
  N      -2.300182     -5.246494      4.597724
  C      -1.720391     -6.373273      3.867337
  C      -2.766741     -7.120407      3.067203
  H      -1.248293     -7.110094      4.546764
  H      -0.910504     -6.040106      3.187454
  H      -3.399390     -7.706971      3.749371
  H      -2.293563     -7.819396      2.351312
  H      -6.851123     -7.243425      2.797949
  H      -5.527780     -7.480335      3.927598
  H      -5.344403     -6.282416      1.114177
  H      -4.689808     -7.875953      1.598844
  H      -3.144666     -3.494985      0.377364
  H      -4.719597     -4.253694      0.638652
  H      -1.968233     -5.252509      1.544686
  H      -3.027965     -6.029205      0.331138
  C      -1.588716      0.503328      1.169188
  C      -1.569064     -0.325660      2.224745
  C      -0.989860      0.103016      3.545682
  C      -2.080790     -1.743885      2.133996
  C      -3.613368     -1.970787      2.379959
  C      -4.452558     -1.301685      1.277475
  C      -4.035473     -1.355709      3.714867
  C      -7.310518     -6.276260      6.535382
  C      -8.161945     -5.466980      5.886246
  C      -8.938845     -4.402546      6.611924
  C      -8.386920     -5.590491      4.400538
  C      -7.355714     -4.850945      3.477042
  C      -7.883335     -4.959770      2.026061
  C      -7.309579     -3.356626      3.805072
  C      -2.934802     -5.079010      8.706268
  C      -2.614696     -5.848857      7.653352
  C      -3.518572     -6.953509      7.184299
  C      -1.323548     -5.654823      6.900586
  C      -1.360011     -4.735458      5.631688
  C       0.088779     -4.680360      5.089191
  C      -1.692802     -3.295534      6.030246
  H      -1.222271      1.529492      1.243498
  H      -1.970616      0.181448      0.198114
  H      -1.705970     -0.035618      4.369644
  H      -0.675266      1.155227      3.528565
  H      -0.112105     -0.516952      3.794712
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  H      -1.839612     -2.146310      1.138213
  H      -4.306215     -0.213720      1.300823
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  H      -4.184892     -1.652099      0.271186
  H      -5.100116     -1.539522      3.902851
  H      -3.476619     -1.776141      4.558672
  H      -3.872085     -0.269393      3.685921
  H      -6.757665     -7.059324      6.014071
  H      -7.132205     -6.172811      7.608075
  H     -10.022567     -4.581415      6.512877
  H      -8.749367     -3.404865      6.187295
  H      -8.689681     -4.378014      7.681255
  H      -8.376206     -6.654302      4.117297
  H      -9.390060     -5.208827      4.148844
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  H      -7.187818     -4.451173      1.342639
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  H      -8.319055     -2.924688      3.738538
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  H      -6.666904     -2.844069      3.076198
  H      -3.869968     -5.223289      9.252073
  H      -2.272460     -4.284089      9.056084
  H      -3.913650     -6.713613      6.184160
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  H      -0.569597     -5.225634      7.579029
  H      -0.938495     -6.641335      6.590391
  H       0.519253     -5.675020      4.913275
  H       0.730070     -4.165792      5.818832
  H       0.120471     -4.111627      4.147766
  H      -2.708732     -3.165085      6.408501
  H      -0.996414     -2.959587      6.812669
  H      -1.566454     -2.635050      5.161851
  N      -4.822953     -4.013984      5.764235
  H      -5.767535     -4.310793      6.015803
  H      -4.255349     -4.053070      6.612347
86
Coordinates from ORCA-job orca E -5421.996375972827
  N      -3.845221     -3.433720      2.398569
  C      -3.721437     -4.098450      1.096459
  C      -3.013924     -5.434853      1.263815
  N      -3.662307     -6.175874      2.370006
  C      -4.914166     -6.851106      1.948407
  C      -5.890128     -6.812270      3.119891
  N      -6.007138     -5.436252      3.579775
  Mo     -4.152199     -4.630463      3.957908
  N      -2.300201     -5.246989      4.597912
  C      -1.720921     -6.374120      3.867791
  C      -2.767561     -7.120996      3.067696
  H      -1.249095     -7.111211      4.547141
  H      -0.910869     -6.041467      3.187822
  H      -3.400471     -7.707121      3.749997
  H      -2.294415     -7.820372      2.352162
  H      -6.851623     -7.243297      2.797937
  H      -5.528225     -7.480637      3.927175
  H      -5.344521     -6.282325      1.113970
  H      -4.690581     -7.876055      1.598678
  H      -3.142886     -3.495729      0.377919
  H      -4.718593     -4.253180      0.638182
  H      -1.968159     -5.253172      1.545677
  H      -3.027305     -6.029522      0.331426
  C      -1.589536      0.504033      1.169907
  C      -1.569230     -0.325479      2.225074
  C      -0.990112      0.102872      3.546174
  C      -2.080629     -1.743772      2.133713
  C      -3.613117     -1.971007      2.380084
  C      -4.452493     -1.302162      1.277715
  C      -4.034649     -1.355989      3.715161
  C      -7.310578     -6.273283      6.535435
  C      -8.163874     -5.466641      5.885462
  C      -8.944262     -4.404162      6.610358
  C      -8.387357     -5.590874      4.399603
  C      -7.355659     -4.850866      3.477137
  C      -7.882578     -4.958694      2.025803
  C      -7.310083     -3.356924      3.806441
  C      -2.932338     -5.078736      8.707257
  C      -2.612975     -5.848501      7.654018
  C      -3.517054     -6.952656      7.184815
  C      -1.322286     -5.654618      6.900591
  C      -1.359563     -4.735852      5.631192
  C       0.089085     -4.681250      5.088050
  C      -1.691743     -3.295635      6.029393
  H      -1.223692      1.530362      1.244579
  H      -1.971540      0.182367      0.198785
  H      -1.706305     -0.035991      4.370022
  H      -0.675734      1.155095      3.529264
  H      -0.112281     -0.516922      3.795211
  H      -1.558938     -2.374466      2.870617
  H      -1.839406     -2.145479      1.137633
  H      -4.305797     -0.214215      1.300611
  H      -5.518933     -1.512398      1.444826
  H      -4.185230     -1.653118      0.271526
  H      -5.099189     -1.539980      3.903584
  H      -3.475192     -1.776642      4.558384
  H      -3.871473     -0.269632      3.686158
  H      -6.755121     -7.055234      6.015154
  H      -7.133364     -6.168959      7.608271
  H     -10.027377     -4.586372      6.510944
  H      -8.757579     -3.406052      6.185520
  H      -8.695397     -4.378409      7.679742
  H      -8.376397     -6.654717      4.116571
  H      -9.390298     -5.209359      4.146794
  H      -7.998753     -5.999378      1.691610
  H      -7.186981     -4.449529      1.342970
  H      -8.866922     -4.474411      1.940594
  H      -8.320012     -2.925794      3.741006
  H      -6.903098     -3.154577      4.803042
  H      -6.668823     -2.842646      3.077676
  H      -3.867372     -5.222665      9.253332
  H      -2.269396     -4.284254      9.056848
  H      -3.910939     -6.711603      6.184469
  H      -2.963117     -7.901909      7.101456
  H      -4.369481     -7.095588      7.862327
  H      -0.568240     -5.224782      7.578494
  H      -0.937132     -6.641101      6.590425
  H       0.519182     -5.676101      4.912237
  H       0.730993     -4.166702      5.817143
  H       0.120296     -4.112864      4.146399
  H      -2.707529     -3.164586      6.407898
  H      -0.994814     -2.959493      6.811237
  H      -1.565501     -2.635758      5.160546
  N      -4.822398     -4.013997      5.764109
  H      -5.766983     -4.309924      6.016719
  H      -4.254334     -4.052752      6.611946
86
Coordinates from ORCA-job orca E -5421.996377128251
  N      -3.844645     -3.433875      2.398577
  C      -3.720546     -4.098789      1.096547
  C      -3.013751     -5.435521      1.264143
  N      -3.662694     -6.176277      2.370158
  C      -4.914601     -6.851165      1.948322
  C      -5.890657     -6.812122      3.119740
  N      -6.007299     -5.436157      3.579880
  Mo     -4.152324     -4.630711      3.957827
  N      -2.300359     -5.247348      4.597978
  C      -1.721519     -6.374978      3.868209
  C      -2.768324     -7.121590      3.068076
  H      -1.250003     -7.112207      4.547639
  H      -0.911209     -6.042840      3.188309
  H      -3.401366     -7.707576      3.750379
  H      -2.295177     -7.821064      2.352642
  H      -6.852267     -7.242843      2.797798
  H      -5.528811     -7.480797      3.926813
  H      -5.344555     -6.282132      1.113833
  H      -4.691379     -7.876149      1.598531
  H      -3.141002     -3.496511      0.378392
  H      -4.717526     -4.252666      0.637677
  H      -1.968046     -5.254158      1.546397
  H      -3.026983     -6.030002      0.331663
  C      -1.589744      0.504797      1.171023
  C      -1.569209     -0.325269      2.225793
  C      -0.990102      0.102597      3.547058
  C      -2.080437     -1.743540      2.133755
  C      -3.612942     -1.971188      2.379886
  C      -4.452143     -1.302856      1.277063
  C      -4.034985     -1.356111      3.714751
  C      -7.310263     -6.270493      6.535866
  C      -8.165349     -5.466318      5.885088
  C      -8.948800     -4.405446      6.609209
  C      -8.387601     -5.591199      4.399075
  C      -7.355573     -4.850689      3.477442
  C      -7.882181     -4.957518      2.025800
  C      -7.310458     -3.357018      3.807789
  C      -2.930567     -5.078750      8.707878
  C      -2.611313     -5.848469      7.654459
  C      -3.515282     -6.952600      7.185204
  C      -1.321021     -5.654251      6.900549
  C      -1.359198     -4.736071      5.630713
  C       0.089249     -4.681503      5.086961
  C      -1.691217     -3.295717      6.028582
  H      -1.224070      1.531175      1.246083
  H      -1.971673      0.183427      0.199768
  H      -1.706321     -0.036359      4.370863
  H      -0.675643      1.154830      3.530406
  H      -0.112316     -0.517325      3.795915
  H      -1.558780     -2.374548      2.870419
  H      -1.838979     -2.144621      1.137476
  H      -4.305573     -0.214905      1.299676
  H      -5.518594     -1.513133      1.443964
  H      -4.184573     -1.654201      0.271125
  H      -5.099541     -1.540410      3.902669
  H      -3.475515     -1.776733      4.558021
  H      -3.872105     -0.269726      3.685803
  H      -6.752547     -7.051422      6.016349
  H      -7.133942     -6.165365      7.608824
  H     -10.031340     -4.591065      6.510013
  H      -8.765258     -3.407171      6.183384
  H      -8.699585     -4.377853      7.678472
  H      -8.376692     -6.655041      4.116163
  H      -9.390301     -5.209459      4.145555
  H      -7.998478     -5.998052      1.691071
  H      -7.186327     -4.448123      1.343349
  H      -8.866408     -4.473004      1.940513
  H      -8.320601     -2.926509      3.742938
  H      -6.903574     -3.155131      4.804432
  H      -6.670200     -2.841438      3.079222
  H      -3.865394     -5.222843      9.254226
  H      -2.267569     -4.284089      9.056992
  H      -3.908302     -6.710793      6.184694
  H      -2.961389     -7.901878      7.101497
  H      -4.367788     -7.095829      7.862561
  H      -0.567003     -5.223656      7.577971
  H      -0.935590     -6.640649      6.590435
  H       0.519090     -5.676308      4.910481
  H       0.731551     -4.167367      5.815944
  H       0.119883     -4.112806      4.145454
  H      -2.706695     -3.164506      6.407771
  H      -0.993623     -2.959214      6.809661
  H      -1.565842     -2.636407      5.159225
  N      -4.821759     -4.014314      5.764090
  H      -5.766435     -4.309190      6.017492
  H      -4.253592     -4.052808      6.611940
86
Coordinates from ORCA-job orca E -5421.996378883278
  N      -3.843916     -3.434052      2.398477
  C      -3.719537     -4.099085      1.096590
  C      -3.013564     -5.436177      1.264382
  N      -3.663050     -6.176631      2.370303
  C      -4.915013     -6.851170      1.948161
  C      -5.891243     -6.811968      3.119382
  N      -6.007507     -5.435979      3.579649
  Mo     -4.152521     -4.630979      3.957722
  N      -2.300684     -5.247662      4.598088
  C      -1.722178     -6.375799      3.868667
  C      -2.769005     -7.122145      3.068356
  H      -1.251034     -7.113050      4.548338
  H      -0.911531     -6.044098      3.188993
  H      -3.402184     -7.708182      3.750483
  H      -2.295838     -7.821529      2.352846
  H      -6.852991     -7.242145      2.797226
  H      -5.529654     -7.480829      3.926399
  H      -5.344461     -6.281772      1.113658
  H      -4.692052     -7.876150      1.598244
  H      -3.139154     -3.497131      0.378809
  H      -4.716409     -4.252139      0.637195
  H      -1.967823     -5.255358      1.546825
  H      -3.026937     -6.030560      0.331860
  C      -1.589611      0.505456      1.171846
  C      -1.569051     -0.325025      2.226321
  C      -0.990345      0.102535      3.547867
  C      -2.080032     -1.743307      2.133787
  C      -3.612540     -1.971343      2.379644
  C      -4.451564     -1.303357      1.276397
  C      -4.035226     -1.356130      3.714276
  C      -7.309696     -6.267839      6.536405
  C      -8.166491     -5.466015      5.884915
  C      -8.952873     -4.406751      6.608395
  C      -8.387797     -5.591519      4.398774
  C      -7.355635     -4.850498      3.477652
  C      -7.882232     -4.956592      2.025864
  C      -7.310874     -3.357002      3.808760
  C      -2.928986     -5.079031      8.708556
  C      -2.609661     -5.848572      7.654977
  C      -3.513595     -6.952703      7.185650
  C      -1.319787     -5.653920      6.900533
  C      -1.358922     -4.736213      5.630356
  C       0.089243     -4.681612      5.085835
  C      -1.690930     -3.295776      6.028006
  H      -1.224113      1.531855      1.247271
  H      -1.971230      0.184283      0.200395
  H      -1.706683     -0.036588      4.371541
  H      -0.675943      1.154795      3.531508
  H      -0.112584     -0.517448      3.796688
  H      -1.558460     -2.374498      2.870369
  H      -1.838446     -2.143996      1.137371
  H      -4.305086     -0.215353      1.298857
  H      -5.518068     -1.513749      1.442997
  H      -4.183684     -1.655004      0.270622
  H      -5.099905     -1.540525      3.901484
  H      -3.476115     -1.776715      4.557819
  H      -3.872302     -0.269727      3.685490
  H      -6.749847     -7.047592      6.017343
  H      -7.134180     -6.162024      7.609447
  H     -10.034832     -4.595927      6.509730
  H      -8.772698     -3.408380      6.181188
  H      -8.703097     -4.377079      7.677508
  H      -8.376775     -6.655356      4.115999
  H      -9.390366     -5.209701      4.144886
  H      -7.999123     -5.997060      1.691093
  H      -7.185902     -4.447558      1.343630
  H      -8.866143     -4.471491      1.940458
  H      -8.321146     -2.926866      3.744220
  H      -6.903915     -3.155580      4.805408
  H      -6.671150     -2.840607      3.080349
  H      -3.863511     -5.223622      9.255256
  H      -2.266151     -4.284117      9.057216
  H      -3.905735     -6.710471      6.184956
  H      -2.959764     -7.902050      7.101947
  H      -4.366000     -7.096039      7.863085
  H      -0.565671     -5.222685      7.577401
  H      -0.934172     -6.640273      6.590501
  H       0.518827     -5.676343      4.908434
  H       0.731896     -4.167956      5.814823
  H       0.119299     -4.112426      4.144582
  H      -2.705993     -3.164643      6.408334
  H      -0.992498     -2.958884      6.808173
  H      -1.566936     -2.636876      5.158191
  N      -4.821144     -4.014775      5.764118
  H      -5.766164     -4.308211      6.018080
  H      -4.253170     -4.052848      6.612139
86
Coordinates from ORCA-job orca E -5421.996380500799
  N      -3.842983     -3.434395      2.398329
  C      -3.718257     -4.099421      1.096572
  C      -3.013242     -5.436939      1.264567
  N      -3.663391     -6.177051      2.370392
  C      -4.915452     -6.851142      1.947780
  C      -5.891992     -6.811838      3.118651
  N      -6.007868     -5.435756      3.578972
  Mo     -4.152829     -4.631416      3.957566
  N      -2.301213     -5.248203      4.598251
  C      -1.722986     -6.376838      3.869177
  C      -2.769778     -7.122867      3.068590
  H      -1.252303     -7.114039      4.549225
  H      -0.911976     -6.045542      3.189795
  H      -3.403241     -7.708962      3.750397
  H      -2.296633     -7.822146      2.352964
  H      -6.853861     -7.241306      2.796010
  H      -5.530940     -7.480825      3.925771
  H      -5.344311     -6.281270      1.113307
  H      -4.692674     -7.876089      1.597665
  H      -3.137124     -3.497680      0.379196
  H      -4.715018     -4.251720      0.636592
  H      -1.967390     -5.256928      1.547108
  H      -3.026966     -6.031325      0.332053
  C      -1.589341      0.506125      1.172866
  C      -1.569007     -0.324648      2.227143
  C      -0.990920      0.102722      3.549026
  C      -2.079557     -1.743032      2.134179
  C      -3.612092     -1.971602      2.379451
  C      -4.450874     -1.303932      1.275721
  C      -4.035841     -1.356311      3.713758
  C      -7.308971     -6.265678      6.536737
  C      -8.167135     -5.465638      5.884782
  C      -8.955556     -4.407505      6.607777
  C      -8.388105     -5.591648      4.398574
  C      -7.355983     -4.850263      3.477576
  C      -7.882788     -4.955771      2.025757
  C      -7.311299     -3.356847      3.809247
  C      -2.927167     -5.078976      8.709256
  C      -2.607799     -5.848541      7.655697
  C      -3.511786     -6.952805      7.186532
  C      -1.318453     -5.653581      6.900473
  C      -1.358774     -4.736355      5.629962
  C       0.088976     -4.681470      5.084434
  C      -1.691043     -3.295953      6.027489
  H      -1.223998      1.532549      1.248663
  H      -1.970414      0.185081      0.201153
  H      -1.707440     -0.036690      4.372495
  H      -0.676677      1.155042      3.533031
  H      -0.113152     -0.517267      3.797884
  H      -1.558118     -2.374247      2.870860
  H      -1.837702     -2.143506      1.137734
  H      -4.304794     -0.215878      1.298273
  H      -5.517385     -1.514779      1.441699
  H      -4.182390     -1.655567      0.270090
  H      -5.100692     -1.540785      3.899958
  H      -3.477482     -1.776749      4.557887
  H      -3.872822     -0.269900      3.685209
  H      -6.747588     -7.044412      6.017806
  H      -7.133848     -6.159276      7.609786
  H     -10.037096     -4.599739      6.510244
  H      -8.778486     -3.409279      6.178760
  H      -8.704776     -4.375626      7.676624
  H      -8.376830     -6.655501      4.115921
  H      -9.390684     -5.209929      4.144695
  H      -8.000614     -5.996241      1.691123
  H      -7.185826     -4.447389      1.343618
  H      -8.866268     -4.469800      1.940348
  H      -8.321515     -2.926752      3.744740
  H      -6.904153     -3.155898      4.805887
  H      -6.671541     -2.840170      3.081058
  H      -3.861339     -5.224042      9.256420
  H      -2.264587     -4.283638      9.057317
  H      -3.903003     -6.710674      6.185522
  H      -2.958073     -7.902308      7.103471
  H      -4.364143     -7.095784      7.864063
  H      -0.564036     -5.221723      7.576582
  H      -0.932736     -6.639968      6.590683
  H       0.518545     -5.676070      4.906375
  H       0.731868     -4.167893      5.813251
  H       0.118350     -4.112033      4.143292
  H      -2.705565     -3.165317      6.409407
  H      -0.991650     -2.958518      6.806557
  H      -1.568964     -2.637261      5.157275
  N      -4.820682     -4.015754      5.764245
  H      -5.766178     -4.307542      6.018427
  H      -4.253143     -4.053271      6.612574
86
Coordinates from ORCA-job orca E -5421.996381962911
  N      -3.842043     -3.434811      2.398166
  C      -3.716963     -4.099720      1.096486
  C      -3.012874     -5.437673      1.264678
  N      -3.663691     -6.177427      2.370427
  C      -4.915854     -6.851084      1.947281
  C      -5.892789     -6.811734      3.117731
  N      -6.008379     -5.435511      3.578003
  Mo     -4.153246     -4.631909      3.957369
  N      -2.301829     -5.248775      4.598429
  C      -1.723799     -6.377802      3.869668
  C      -2.770545     -7.123561      3.068814
  H      -1.253564     -7.114901      4.550134
  H      -0.912500     -6.046830      3.190522
  H      -3.404392     -7.709642      3.750262
  H      -2.297446     -7.822816      2.353131
  H      -6.854710     -7.240579      2.794471
  H      -5.532422     -7.480759      3.925089
  H      -5.344203     -6.280788      1.112853
  H      -4.693136     -7.875986      1.596973
  H      -3.135234     -3.498110      0.379474
  H      -4.713587     -4.251453      0.635902
  H      -1.966865     -5.258580      1.547223
  H      -3.027071     -6.032169      0.332227
  C      -1.589045      0.506642      1.174014
  C      -1.569017     -0.324283      2.228163
  C      -0.991659      0.103020      3.550390
  C      -2.079025     -1.742844      2.134871
  C      -3.611621     -1.971923      2.379361
  C      -4.450030     -1.304435      1.275154
  C      -4.036543     -1.356569      3.713331
  C      -7.308151     -6.263836      6.536874
  C      -8.167356     -5.465082      5.884679
  C      -8.957062     -4.407664      6.607289
  C      -8.388508     -5.591632      4.398502
  C      -7.356638     -4.850086      3.477230
  C      -7.883826     -4.955356      2.025536
  C      -7.311784     -3.356679      3.809176
  C      -2.925226     -5.078807      8.709885
  C      -2.605934     -5.848452      7.656420
  C      -3.509950     -6.952918      7.187540
  C      -1.317170     -5.653294      6.900293
  C      -1.358764     -4.736424      5.629546
  C       0.088520     -4.681158      5.082909
  C      -1.691408     -3.296163      6.027177
  H      -1.223968      1.533125      1.250188
  H      -1.969515      0.185666      0.202043
  H      -1.708397     -0.036867      4.373599
  H      -0.677748      1.155450      3.534821
  H      -0.113798     -0.516829      3.799339
  H      -1.557746     -2.373918      2.871790
  H      -1.836765     -2.143300      1.138512
  H      -4.304414     -0.216307      1.297949
  H      -5.516564     -1.515830      1.440372
  H      -4.180779     -1.655856      0.269616
  H      -5.101634     -1.540865      3.898412
  H      -3.479302     -1.776948      4.558221
  H      -3.873199     -0.270179      3.685039
  H      -6.745786     -7.041779      6.017892
  H      -7.133032     -6.156848      7.609848
  H     -10.038327     -4.602576      6.511518
  H      -8.782893     -3.409778      6.176124
  H      -8.704891     -4.373454      7.675778
  H      -8.376689     -6.655549      4.116086
  H      -9.391283     -5.210417      4.144808
  H      -8.002813     -5.995842      1.691255
  H      -7.186244     -4.447900      1.343315
  H      -8.866806     -4.468354      1.940236
  H      -8.321837     -2.926299      3.744456
  H      -6.904491     -3.156138      4.805860
  H      -6.671448     -2.840245      3.081244
  H      -3.859062     -5.224239      9.257534
  H      -2.262864     -4.283120      9.057462
  H      -3.900218     -6.711348      6.186094
  H      -2.956358     -7.902606      7.105648
  H      -4.362514     -7.095155      7.864927
  H      -0.562349     -5.220889      7.575595
  H      -0.931344     -6.639725      6.590811
  H       0.518263     -5.675654      4.904683
  H       0.731608     -4.167214      5.811310
  H       0.117231     -4.111857      4.141665
  H      -2.705341     -3.166339      6.410951
  H      -0.990977     -2.958144      6.805047
  H      -1.571474     -2.637413      5.156722
  N      -4.820437     -4.016964      5.764382
  H      -5.766530     -4.307039      6.018481
  H      -4.253497     -4.053801      6.613097
86
Coordinates from ORCA-job orca E -5421.996383542883
  N      -3.841209     -3.435253      2.398032
  C      -3.715776     -4.099972      1.096351
  C      -3.012508     -5.438339      1.264730
  N      -3.663971     -6.177709      2.370434
  C      -4.916224     -6.850994      1.946763
  C      -5.893599     -6.811596      3.116787
  N      -6.009025     -5.435215      3.576935
  Mo     -4.153723     -4.632373      3.957157
  N      -2.302433     -5.249277      4.598570
  C      -1.724550     -6.378583      3.870090
  C      -2.771315     -7.124151      3.069087
  H      -1.254659     -7.115571      4.550908
  H      -0.913105     -6.047869      3.191015
  H      -3.405601     -7.710058      3.750264
  H      -2.298303     -7.823555      2.353491
  H      -6.855485     -7.240039      2.792887
  H      -5.533955     -7.480628      3.924445
  H      -5.344215     -6.280409      1.112363
  H      -4.693491     -7.875863      1.596328
  H      -3.133556     -3.498462      0.379651
  H      -4.712220     -4.251327      0.635151
  H      -1.966336     -5.260155      1.547248
  H      -3.027192     -6.033013      0.332384
  C      -1.588612      0.506873      1.175232
  C      -1.569022     -0.324036      2.229379
  C      -0.992444      0.103334      3.551929
  C      -2.078494     -1.742809      2.135890
  C      -3.611201     -1.972293      2.379386
  C      -4.449069     -1.304905      1.274694
  C      -4.037303     -1.356911      3.713001
  C      -7.307510     -6.262442      6.536868
  C      -8.167348     -5.464421      5.884602
  C      -8.957586     -4.407239      6.606863
  C      -8.388986     -5.591525      4.398520
  C      -7.357537     -4.849953      3.476744
  C      -7.885184     -4.955218      2.025259
  C      -7.312303     -3.356519      3.808756
  C      -2.923312     -5.078544      8.710306
  C      -2.604168     -5.848314      7.656971
  C      -3.507986     -6.953173      7.188513
  C      -1.315978     -5.652967      6.899964
  C      -1.358864     -4.736354      5.629046
  C       0.087956     -4.680584      5.081307
  C      -1.691972     -3.296312      6.026965
  H      -1.223840      1.533453      1.251717
  H      -1.968431      0.185875      0.203017
  H      -1.709419     -0.037225      4.374824
  H      -0.679083      1.155927      3.536814
  H      -0.114372     -0.516162      3.801031
  H      -1.557450     -2.373584      2.873210
  H      -1.835608     -2.143448      1.139755
  H      -4.304080     -0.216717      1.297940
  H      -5.515611     -1.516989      1.438954
  H      -4.178806     -1.655820      0.269241
  H      -5.102665     -1.540784      3.896909
  H      -3.481422     -1.777390      4.558700
  H      -3.873470     -0.270584      3.684965
  H      -6.744771     -7.039982      6.017808
  H      -7.132077     -6.154852      7.609706
  H     -10.038713     -4.604395      6.513445
  H      -8.786046     -3.409872      6.173337
  H      -8.703653     -4.370614      7.674895
  H      -8.376402     -6.655549      4.116420
  H      -9.392097     -5.211163      4.144997
  H      -8.005296     -5.995707      1.691302
  H      -7.187163     -4.448634      1.342808
  H      -8.867718     -4.467245      1.940242
  H      -8.322081     -2.925553      3.743507
  H      -6.905182     -3.156308      4.805627
  H      -6.670898     -2.840731      3.081206
  H      -3.856876     -5.224190      9.258380
  H      -2.261131     -4.282562      9.057582
  H      -3.897343     -6.712619      6.186507
  H      -2.954371     -7.902983      7.108244
  H      -4.361093     -7.094470      7.865394
  H      -0.560800     -5.220021      7.574533
  H      -0.929902     -6.639395      6.590811
  H       0.518094     -5.674994      4.903473
  H       0.731215     -4.165820      5.809008
  H       0.115983     -4.111843      4.139718
  H      -2.705322     -3.167541      6.412648
  H      -0.990514     -2.957664      6.803606
  H      -1.574180     -2.637306      5.156403
  N      -4.820422     -4.018303      5.764511
  H      -5.767065     -4.306945      6.018290
  H      -4.254119     -4.054476      6.613631
86
Coordinates from ORCA-job orca E -5421.996385285089
  N      -3.840639     -3.435615      2.397947
  C      -3.714908     -4.100137      1.096207
  C      -3.012257     -5.438844      1.264734
  N      -3.664242     -6.177833      2.370448
  C      -4.916535     -6.850897      1.946367
  C      -5.894334     -6.811392      3.116025
  N      -6.009742     -5.434867      3.575967
  Mo     -4.154226     -4.632684      3.956966
  N      -2.302909     -5.249510      4.598638
  C      -1.725132     -6.378970      3.870393
  C      -2.772006     -7.124482      3.069436
  H      -1.255399     -7.115876      4.551406
  H      -0.913708     -6.048458      3.191188
  H      -3.406675     -7.710050      3.750535
  H      -2.299103     -7.824214      2.354086
  H      -6.856101     -7.239742      2.791600
  H      -5.535306     -7.480420      3.923971
  H      -5.344353     -6.280234      1.111934
  H      -4.693745     -7.875764      1.595929
  H      -3.132289     -3.498733      0.379744
  H      -4.711151     -4.251272      0.634452
  H      -1.965951     -5.261399      1.547207
  H      -3.027348     -6.033703      0.332504
  C      -1.588055      0.506710      1.176362
  C      -1.568907     -0.324025      2.230607
  C      -0.993029      0.103535      3.553405
  C      -2.077999     -1.742974      2.137089
  C      -3.610858     -1.972635      2.379499
  C      -4.448003     -1.305273      1.274293
  C      -4.037987     -1.357205      3.712772
  C      -7.307248     -6.261517      6.536807
  C      -8.167301     -5.463741      5.884553
  C      -8.957543     -4.406420      6.606482
  C      -8.389450     -5.591403      4.398605
  C      -7.358540     -4.849867      3.476271
  C      -7.886668     -4.955331      2.025042
  C      -7.312801     -3.356409      3.808155
  C      -2.921638     -5.078419      8.710474
  C      -2.602662     -5.848240      7.657204
  C      -3.505964     -6.953672      7.189226
  C      -1.314956     -5.652589      6.899501
  C      -1.359027     -4.736084      5.628510
  C       0.087400     -4.679753      5.079831
  C      -1.692614     -3.296311      6.026904
  H      -1.223612      1.533403      1.253040
  H      -1.967326      0.185603      0.203975
  H      -1.710214     -0.037817      4.375992
  H      -0.680397      1.156349      3.538690
  H      -0.114619     -0.515410      3.802675
  H      -1.557283     -2.373348      2.874937
  H      -1.834323     -2.143973      1.141296
  H      -4.303649     -0.217010      1.298082
  H      -5.514581     -1.518019      1.437515
  H      -4.176580     -1.655554      0.268921
  H      -5.103653     -1.540382      3.895540
  H      -3.483549     -1.778014      4.559207
  H      -3.873498     -0.270977      3.684957
  H      -6.744626     -7.039085      6.017762
  H      -7.131368     -6.153355      7.609495
  H     -10.038616     -4.605493      6.515790
  H      -8.788393     -3.409660      6.170590
  H      -8.701607     -4.367390      7.673993
  H      -8.376025     -6.655551      4.116881
  H      -9.392956     -5.212093      4.145092
  H      -8.007686     -5.995789      1.691335
  H      -7.188512     -4.449429      1.342223
  H      -8.868881     -4.466621      1.940427
  H      -8.322234     -2.924633      3.742090
  H      -6.906295     -3.156425      4.805381
  H      -6.670028     -2.841513      3.081085
  H      -3.855010     -5.224203      9.258866
  H      -2.259616     -4.282234      9.057694
  H      -3.894411     -6.714521      6.186537
  H      -2.952127     -7.903498      7.110908
  H      -4.359961     -7.094011      7.865195
  H      -0.559589     -5.219123      7.573553
  H      -0.928436     -6.638901      6.590558
  H       0.518065     -5.674095      4.902737
  H       0.730851     -4.163952      5.806665
  H       0.114726     -4.111818      4.137759
  H      -2.705485     -3.168654      6.414233
  H      -0.990271     -2.957107      6.802463
  H      -1.576635     -2.636910      5.156389
  N      -4.820630     -4.019546      5.764596
  H      -5.767711     -4.307217      6.017896
  H      -4.254911     -4.055215      6.614081
86
Coordinates from ORCA-job orca E -5407.234679741914
  N      -3.840359     -3.435874      2.397974
  C      -3.714416     -4.100220      1.096141
  C      -3.012179     -5.439182      1.264743
  N      -3.664518     -6.177811      2.370521
  C      -4.916794     -6.850799      1.946207
  C      -5.894965     -6.811084      3.115580
  N      -6.010469     -5.434462      3.575272
  Mo     -4.154679     -4.632828      3.956856
  N      -2.303159     -5.249451      4.598633
  C      -1.725496     -6.378980      3.870568
  C      -2.772591     -7.124545      3.069869
  H      -1.255700     -7.115863      4.551562
  H      -0.914243     -6.048638      3.191042
  H      -3.407523     -7.709628      3.751134
  H      -2.299843     -7.824750      2.354884
  H      -6.856556     -7.239610      2.790793
  H      -5.536383     -7.480147      3.923733
  H      -5.344573     -6.280251      1.111664
  H      -4.693986     -7.875708      1.595903
  H      -3.131433     -3.498939      0.379865
  H      -4.710473     -4.251185      0.633940
  H      -1.965786     -5.262227      1.547177
  H      -3.027546     -6.034174      0.332610
  C      -1.587324      0.506124      1.177192
  C      -1.568632     -0.324267      2.231676
  C      -0.993326      0.103630      3.554616
  C      -2.077577     -1.743315      2.138354
  C      -3.610605     -1.972918      2.379706
  C      -4.446961     -1.305556      1.273996
  C      -4.038507     -1.357408      3.712668
  C      -7.307513     -6.260979      6.536788
  C      -8.167433     -5.463109      5.884525
  C      -8.957425     -4.405422      6.606107
  C      -8.389860     -5.591313      4.398697
  C      -7.359502     -4.849768      3.475938
  C      -7.888031     -4.955494      2.024924
  C      -7.313254     -3.356305      3.807589
  C      -2.920440     -5.078568      8.710329
  C      -2.601447     -5.848332      7.657052
  C      -3.503812     -6.954578      7.189539
  C      -1.314062     -5.652123      6.898997
  C      -1.359156     -4.735636      5.627973
  C       0.086972     -4.678673      5.078568
  C      -1.693240     -3.296129      6.026910
  H      -1.223103      1.532919      1.253847
  H      -1.966157      0.184787      0.204715
  H      -1.710640     -0.038581      4.376950
  H      -0.681608      1.156717      3.540178
  H      -0.114433     -0.514546      3.804038
  H      -1.557276     -2.373214      2.876840
  H      -1.833023     -2.144829      1.142993
  H      -4.303307     -0.217225      1.298438
  H      -5.513567     -1.518984      1.436136
  H      -4.174293     -1.655064      0.268705
  H      -5.104465     -1.539754      3.894433
  H      -3.485355     -1.778705      4.559647
  H      -3.873319     -0.271302      3.685017
  H      -6.745310     -7.038955      6.017939
  H      -7.131242     -6.152312      7.609359
  H     -10.038460     -4.606266      6.518316
  H      -8.790554     -3.409283      6.167958
  H      -8.699338     -4.364005      7.673047
  H      -8.375668     -6.655578      4.117352
  H      -9.393730     -5.213046      4.144954
  H      -8.009522     -5.995898      1.691289
  H      -7.190068     -4.449892      1.341696
  H      -8.870127     -4.466456      1.940740
  H      -8.322295     -2.923607      3.740405
  H      -6.907907     -3.156446      4.805357
  H      -6.668978     -2.842350      3.081122
  H      -3.853714     -5.224551      9.258860
  H      -2.258688     -4.282162      9.057725
  H      -3.891214     -6.717192      6.186004
  H      -2.949501     -7.904292      7.113493
  H      -4.359010     -7.094084      7.864200
  H      -0.558788     -5.218095      7.572812
  H      -0.926860     -6.638184      6.590114
  H       0.518254     -5.672926      4.902319
  H       0.730636     -4.161791      5.804467
  H       0.113499     -4.111613      4.135969
  H      -2.705800     -3.169503      6.415426
  H      -0.990250     -2.956466      6.801650
  H      -1.578579     -2.636307      5.156526
  N      -4.820976     -4.020558      5.764659
  H      -5.768335     -4.307764      6.017437
  H      -4.255695     -4.056049      6.614429
86
Coordinates from ORCA-job orca E -5408.849994121437
  N      -3.834499     -3.441462      2.398883
  C      -3.704064     -4.102047      1.095032
  C      -3.010617     -5.446415      1.265102
  N      -3.670365     -6.177363      2.372230
  C      -4.922319     -6.848683      1.943039
  C      -5.908319     -6.804517      3.106421
  N      -6.025835     -5.425869      3.560845
  Mo     -4.164215     -4.635889      3.954680
  N      -2.308341     -5.248313      4.598651
  C      -1.733176     -6.379258      3.874299
  C      -2.785060     -7.125872      3.079175
  H      -1.261959     -7.115719      4.554817
  H      -0.925621     -6.052570      3.187908
  H      -3.425528     -7.700571      3.763993
  H      -2.315749     -7.836158      2.371991
  H      -6.866126     -7.236799      2.773961
  H      -5.559191     -7.474319      3.918885
  H      -5.349284     -6.280545      1.106208
  H      -4.699190     -7.874489      1.595562
  H      -3.113431     -3.503387      0.382697
  H      -4.696097     -4.249475      0.623369
  H      -1.962397     -5.279873      1.546690
  H      -3.031882     -6.044194      0.335001
  C      -1.572144      0.493587      1.194731
  C      -1.563031     -0.329443      2.254286
  C      -0.999718      0.105705      3.580032
  C      -2.068970     -1.750561      2.165319
  C      -3.605395     -1.979028      2.384423
  C      -4.425021     -1.311623      1.268234
  C      -4.049429     -1.361723      3.710721
  C      -7.313758     -6.249187      6.536370
  C      -8.170800     -5.449570      5.883530
  C      -8.955884     -4.384230      6.597380
  C      -8.398638     -5.589368      4.400276
  C      -7.379782     -4.847651      3.468829
  C      -7.916420     -4.958870      2.022284
  C      -7.322850     -3.354155      3.795571
  C      -2.894444     -5.081785      8.707260
  C      -2.575262     -5.850251      7.653741
  C      -3.457755     -6.973321      7.195888
  C      -1.294817     -5.642337      6.888156
  C      -1.361711     -4.726319      5.616553
  C       0.077852     -4.656031      5.051619
  C      -1.706075     -3.292550      6.027176
  H      -1.212623      1.522546      1.270726
  H      -1.941838      0.167326      0.220464
  H      -1.719410     -0.054593      4.397106
  H      -0.707435      1.164374      3.571224
  H      -0.110740     -0.496062      3.832689
  H      -1.557509     -2.370278      2.917209
  H      -1.805984     -2.163004      1.179371
  H      -4.296391     -0.222004      1.306121
  H      -5.491881     -1.539364      1.407529
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  H      -3.523605     -1.793141      4.568785
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  H      -8.653343     -4.291901      7.650158
  H      -8.367903     -6.655968      4.126970
  H      -9.410000     -5.233509      4.141482
  H      -8.047684     -5.998070      1.690094
  H      -7.222479     -4.459484      1.330664
  H      -8.895980     -4.462979      1.946951
  H      -8.323101     -2.902055      3.704382
  H      -6.942625     -3.156652      4.804591
  H      -6.646828     -2.860454      3.082707
  H      -3.825645     -5.231883      9.258769
  H      -2.238350     -4.280832      9.058456
  H      -3.822411     -6.773135      6.175403
  H      -2.894134     -7.919774      7.167859
  H      -4.338047     -7.096164      7.841736
  H      -0.541510     -5.196505      7.556901
  H      -0.893289     -6.622941      6.580390
  H       0.522404     -5.648035      4.893243
  H       0.725709     -4.116315      5.757341
  H       0.087434     -4.107799      4.098093
  H      -2.711430     -3.187764      6.440833
  H      -0.989629     -2.943056      6.784350
  H      -1.619402     -2.623966      5.159944
  N      -4.828293     -4.041870      5.766079
  H      -5.781383     -4.319210      6.007920
  H      -4.272178     -4.073884      6.621711
86
Coordinates from ORCA-job orca E -5421.996229043867
  N      -3.840738     -3.435428      2.399402
  C      -3.716462     -4.098818      1.096783
  C      -3.013242     -5.437781      1.264224
  N      -3.664534     -6.175801      2.371136
  C      -4.916238     -6.850155      1.947158
  C      -5.895392     -6.809563      3.115915
  N      -6.012288     -5.432453      3.573832
  Mo     -4.155563     -4.632166      3.957714
  N      -2.301775     -5.246884      4.599190
  C      -1.724171     -6.375244      3.870352
  C      -2.772216     -7.121812      3.071283
  H      -1.252919     -7.112475      4.549958
  H      -0.914621     -6.044354      3.188773
  H      -3.407258     -7.705275      3.753861
  H      -2.299841     -7.823821      2.357845
  H      -6.855858     -7.240511      2.790487
  H      -5.537775     -7.478237      3.925068
  H      -5.345476     -6.281631      1.111894
  H      -4.692553     -7.875302      1.598151
  H      -3.134887     -3.497244      0.379609
  H      -4.712548     -4.251155      0.635432
  H      -1.966331     -5.261212      1.544923
  H      -3.030256     -6.033286      0.332502
  C      -1.588622      0.504217      1.174057
  C      -1.568053     -0.325372      2.228447
  C      -0.988474      0.102092      3.549518
  C      -2.078239     -1.744130      2.136655
  C      -3.610352     -1.972926      2.382163
  C      -4.449956     -1.305021      1.280299
  C      -4.032149     -1.358058      3.716887
  C      -7.311454     -6.262890      6.534887
  C      -8.169360     -5.462937      5.882937
  C      -8.958777     -4.404413      6.603509
  C      -8.391080     -5.591884      4.397243
  C      -7.362535     -4.849645      3.474429
  C      -7.890747     -4.956456      2.023649
  C      -7.314035     -3.356384      3.805721
  C      -2.922008     -5.078407      8.708827
  C      -2.602373     -5.848146      7.655763
  C      -3.499987     -6.957037      7.188392
  C      -1.314277     -5.651687      6.899515
  C      -1.358602     -4.734366      5.628670
  C       0.088197     -4.678298      5.080357
  C      -1.692156     -3.295054      6.029725
  H      -1.224107      1.530994      1.250203
  H      -1.970401      0.183109      0.202770
  H      -1.702914     -0.044493      4.373520
  H      -0.679986      1.156218      3.536387
  H      -0.106851     -0.513467      3.794996
  H      -1.555781     -2.372567      2.874073
  H      -1.835749     -2.147052      1.141717
  H      -4.310404     -0.216419      1.308970
  H      -5.515421     -1.523100      1.443317
  H      -4.177068     -1.648666      0.273093
  H      -5.098179     -1.535948      3.900833
  H      -3.480007     -1.782468      4.562022
  H      -3.863149     -0.272747      3.689591
  H      -6.751200     -7.042648      6.016640
  H      -7.134559     -6.153495      7.607322
  H     -10.039434     -4.613316      6.528501
  H      -8.802104     -3.410570      6.156851
  H      -8.691837     -4.353405      7.668016
  H      -8.372574     -6.656556      4.116861
  H      -9.396547     -5.219253      4.140797
  H      -8.012304     -5.996401      1.689078
  H      -7.194138     -4.450423      1.339471
  H      -8.873034     -4.467593      1.940865
  H      -8.320301     -2.917847      3.728010
  H      -6.920356     -3.157827      4.808684
  H      -6.657909     -2.847742      3.085780
  H      -3.856480     -5.223353      9.255784
  H      -2.260770     -4.282515      9.059354
  H      -3.880206     -6.727988      6.180129
  H      -2.944205     -7.906688      7.124554
  H      -4.363539     -7.091590      7.853614
  H      -0.560540     -5.216964      7.574720
  H      -0.924730     -6.637048      6.591206
  H       0.520885     -5.673409      4.910862
  H       0.732161     -4.156911      5.802903
  H       0.115186     -4.116397      4.134780
  H      -2.705108     -3.170126      6.418690
  H      -0.988712     -2.955785      6.803969
  H      -1.576693     -2.632960      5.160990
  N      -4.820136     -4.022059      5.766163
  H      -5.769737     -4.305444      6.016285
  H      -4.256654     -4.059580      6.616864
86
Coordinates from ORCA-job orca E -5421.996253676562
  N      -3.840725     -3.436735      2.395650
  C      -3.712005     -4.103349      1.095380
  C      -3.010707     -5.441739      1.266177
  N      -3.664512     -6.181883      2.369735
  C      -4.917813     -6.852537      1.945485
  C      -5.893757     -6.813880      3.116414
  N      -6.006476     -5.438403      3.579370
  Mo     -4.152512     -4.633641      3.955483
  N      -2.305033     -5.253832      4.597260
  C      -1.727439     -6.385726      3.870720
  C      -2.772863     -7.129570      3.067347
  H      -1.259973     -7.122100      4.553947
  H      -0.912922     -6.056600      3.195038
  H      -3.406899     -7.717680      3.746784
  H      -2.299523     -7.826338      2.349343
  H      -6.857650     -7.237914      2.793598
  H      -5.532554     -7.483825      3.922214
  H      -5.342660     -6.278491      1.111999
  H      -4.697131     -7.877253      1.593212
  H      -3.126628     -3.502661      0.380529
  H      -4.708369     -4.251746      0.632403
  H      -1.965675     -5.262644      1.552369
  H      -3.021865     -6.035378      0.333039
  C      -1.585210      0.509035      1.182844
  C      -1.569690     -0.322767      2.238015
  C      -1.002567      0.106635      3.564405
  C      -2.076557     -1.742314      2.142342
  C      -3.611706     -1.972860      2.374997
  C      -4.440817     -1.306337      1.260755
  C      -4.052322     -1.356128      3.704359
  C      -7.301495     -6.258278      6.540337
  C      -8.164296     -5.463603      5.887225
  C      -8.954677     -4.407046      6.611022
  C      -8.387141     -5.589696      4.401061
  C      -7.352370     -4.849494      3.479554
  C      -7.880767     -4.952433      2.027586
  C      -7.310891     -3.355791      3.812192
  C      -2.918779     -5.079390      8.712120
  C      -2.600262     -5.849208      7.658505
  C      -3.511257     -6.951184      7.191322
  C      -1.313735     -5.652738      6.897757
  C      -1.359759     -4.737814      5.626454
  C       0.085167     -4.678872      5.075496
  C      -1.694845     -3.297827      6.020583
  H      -1.221311      1.535872      1.259634
  H      -1.958817      0.186842      0.208306
  H      -1.724880     -0.026956      4.383910
  H      -0.685294      1.157785      3.546746
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  H      -5.118228     -1.547854      3.881862
  H      -3.496060     -1.771331      4.554851
  H      -3.895556     -0.268244      3.675784
  H      -6.736145     -7.033837      6.021055
  H      -7.127113     -6.151597      7.613319
  H     -10.035981     -4.590264      6.496849
  H      -8.766240     -3.406419      6.191605
  H      -8.714841     -4.385921      7.682474
  H      -8.383240     -6.652826      4.117320
  H      -9.387020     -5.198362      4.152401
  H      -8.000131     -5.993723      1.694987
  H      -7.180780     -4.446007      1.346802
  H      -8.863273     -4.464700      1.940057
  H      -8.325247     -2.935238      3.766861
  H      -6.882354     -3.152878      4.798953
  H      -6.692230     -2.830481      3.072753
  H      -3.849612     -5.228018      9.263636
  H      -2.256604     -4.281355      9.052959
  H      -3.911995     -6.698751      6.196686
  H      -2.959611     -7.900576      7.092374
  H      -4.349717     -7.101174      7.884083
  H      -0.555931     -5.220226      7.569471
  H      -0.931150     -6.639843      6.586798
  H       0.513280     -5.670961      4.884112
  H       0.728398     -4.172455      5.808737
  H       0.110276     -4.100254      4.139704
  H      -2.707353     -3.166912      6.405248
  H      -0.994397     -2.957897      6.798101
  H      -1.579084     -2.643160      5.146866
  N      -4.823523     -4.017391      5.761679
  H      -5.764875     -4.315272      6.019990
  H      -4.253762     -4.048720      6.609099
86
Coordinates from ORCA-job orca E -5421.996391193892
  N      -3.840761     -3.435793      2.398531
  C      -3.715352     -4.100070      1.096545
  C      -3.012629     -5.438849      1.264836
  N      -3.664507     -6.177502      2.370848
  C      -4.916665     -6.850878      1.946901
  C      -5.894921     -6.810701      3.116268
  N      -6.010671     -5.434051      3.575518
  Mo     -4.154651     -4.632604      3.957259
  N      -2.302461     -5.248780      4.598699
  C      -1.724898     -6.378085      3.870410
  C      -2.772274     -7.123925      3.070253
  H      -1.254560     -7.115119      4.550891
  H      -0.914024     -6.047673      3.190390
  H      -3.406943     -7.708659      3.752079
  H      -2.299693     -7.824500      2.355526
  H      -6.856341     -7.239770      2.791595
  H      -5.536272     -7.479740      3.924477
  H      -5.344661     -6.280892      1.112056
  H      -4.693874     -7.875947      1.597092
  H      -3.132730     -3.498741      0.380012
  H      -4.711562     -4.251242      0.634844
  H      -1.966249     -5.261471      1.547034
  H      -3.027995     -6.033787      0.332697
  C      -1.587851      0.505522      1.176266
  C      -1.568553     -0.324654      2.230872
  C      -0.992248      0.103358      3.553332
  C      -2.077885     -1.743576      2.138078
  C      -3.610772     -1.972883      2.380264
  C      -4.447700     -1.305466      1.275084
  C      -4.037519     -1.357432      3.713561
  C      -7.309109     -6.261349      6.536488
  C      -8.168300     -5.462911      5.884051
  C      -8.958210     -4.404993      6.605407
  C      -8.390028     -5.591159      4.398187
  C      -7.359642     -4.849479      3.475864
  C      -7.887789     -4.955232      2.024712
  C      -7.313107     -3.356110      3.807496
  C      -2.921373     -5.079003      8.709542
  C      -2.601693     -5.848741      7.656381
  C      -3.502681     -6.955969      7.189031
  C      -1.313944     -5.652031      6.899097
  C      -1.358739     -4.735334      5.628135
  C       0.087565     -4.678372      5.079114
  C      -1.692799     -3.295847      6.027349
  H      -1.223473      1.532283      1.252507
  H      -1.967463      0.184093      0.204130
  H      -1.708805     -0.039611      4.376212
  H      -0.681338      1.156716      3.538829
  H      -0.112607     -0.514125      3.801902
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  H      -1.833634     -2.145331      1.142779
  H      -4.304724     -0.217038      1.300074
  H      -5.514149     -1.519552      1.437444
  H      -4.175003     -1.654178      0.269534
  H      -5.103422     -1.539307      3.895991
  H      -3.483876     -1.779171      4.559971
  H      -3.872080     -0.271392      3.685820
  H      -6.747299     -7.039978      6.018095
  H      -7.133099     -6.152696      7.609126
  H     -10.039155     -4.607296      6.519610
  H      -8.793054     -3.409150      6.166026
  H      -8.698569     -4.361994      7.671945
  H      -8.375659     -6.655427      4.116917
  H      -9.393916     -5.213257      4.143701
  H      -8.008405     -5.995560      1.690646
  H      -7.190349     -4.448888      1.341533
  H      -8.870268     -4.466975      1.940483
  H      -8.321751     -2.922515      3.738567
  H      -6.909947     -3.156384      4.806193
  H      -6.667230     -2.842736      3.082032
  H      -3.854920     -5.225145      9.257585
  H      -2.260112     -4.282361      9.057456
  H      -3.887976     -6.721008      6.184077
  H      -2.947849     -7.905646      7.116269
  H      -4.359733     -7.094525      7.861601
  H      -0.559248     -5.217837      7.573452
  H      -0.926183     -6.637803      6.589966
  H       0.519030     -5.672660      4.903376
  H       0.731353     -4.161180      5.804674
  H       0.113879     -4.111720      4.136265
  H      -2.705769     -3.169178      6.414823
  H      -0.990372     -2.956510      6.802733
  H      -1.576980     -2.635776      5.157301
  N      -4.820972     -4.020629      5.765009
  H      -5.768397     -4.307914      6.017380
  H      -4.255704     -4.056830      6.614796
86
Coordinates from ORCA-job orca E -5421.996392718193
  N      -3.840912     -3.435749      2.398640
  C      -3.715640     -4.100003      1.096629
  C      -3.012806     -5.438745      1.264824
  N      -3.664534     -6.177451      2.370891
  C      -4.916654     -6.850943      1.947038
  C      -5.894926     -6.810667      3.116402
  N      -6.010711     -5.434006      3.575536
  Mo     -4.154690     -4.632570      3.957343
  N      -2.302371     -5.248610      4.598737
  C      -1.724789     -6.377835      3.870367
  C      -2.772174     -7.123758      3.070287
  H      -1.254331     -7.114887      4.550753
  H      -0.913978     -6.047363      3.190289
  H      -3.406757     -7.708484      3.752206
  H      -2.299593     -7.824352      2.355579
  H      -6.856321     -7.239815      2.791751
  H      -5.536264     -7.479677      3.924635
  H      -5.344673     -6.281091      1.112109
  H      -4.693841     -7.876051      1.597358
  H      -3.133119     -3.498636      0.380046
  H      -4.711905     -4.251207      0.635065
  H      -1.966426     -5.261248      1.546947
  H      -3.028184     -6.033663      0.332677
  C      -1.587877      0.505303      1.175939
  C      -1.568460     -0.324802      2.230597
  C      -0.991925      0.103262      3.552936
  C      -2.077925     -1.743692      2.137970
  C      -3.610775     -1.972867      2.380419
  C      -4.447842     -1.305332      1.275427
  C      -4.037185     -1.357441      3.713838
  C      -7.309219     -6.261293      6.536401
  C      -8.168432     -5.462883      5.883974
  C      -8.958487     -4.405075      6.605354
  C      -8.390071     -5.591103      4.398095
  C      -7.359649     -4.849417      3.475850
  C      -7.887706     -4.955119      2.024651
  C      -7.313016     -3.356073      3.807512
  C      -2.921789     -5.079040      8.709297
  C      -2.601803     -5.848832      7.656257
  C      -3.502399     -6.956354      7.188938
  C      -1.313969     -5.651957      6.899171
  C      -1.358715     -4.735223      5.628216
  C       0.087618     -4.678247      5.079281
  C      -1.692812     -3.295727      6.027419
  H      -1.223395      1.532046      1.252036
  H      -1.967668      0.183822      0.203888
  H      -1.708245     -0.039912      4.375964
  H      -0.681252      1.156674      3.538419
  H      -0.112099     -0.514014      3.801262
  H      -1.557252     -2.373380      2.876341
  H      -1.833839     -2.145536      1.142661
  H      -4.304891     -0.216883      1.300555
  H      -5.514280     -1.519470      1.437897
  H      -4.175254     -1.653904      0.269782
  H      -5.103077     -1.539219      3.896484
  H      -3.483379     -1.779290      4.560076
  H      -3.871646     -0.271406      3.686105
  H      -6.747335     -7.039912      6.018049
  H      -7.133258     -6.152659      7.609048
  H     -10.039368     -4.607839      6.519982
  H      -8.793884     -3.409260      6.165738
  H      -8.698507     -4.361746      7.671788
  H      -8.375746     -6.655368      4.116802
  H      -9.393940     -5.213161      4.143549
  H      -8.008055     -5.995447      1.690474
  H      -7.190353     -4.448563      1.341533
  H      -8.870289     -4.467092      1.940378
  H      -8.321526     -2.922260      3.738077
  H      -6.910373     -3.156385      4.806428
  H      -6.666727     -2.842854      3.082353
  H      -3.855409     -5.225290      9.257189
  H      -2.260751     -4.282225      9.057246
  H      -3.886894     -6.722148      6.183503
  H      -2.947457     -7.906056      7.117256
  H      -4.359979     -7.094546      7.860910
  H      -0.559420     -5.217699      7.573643
  H      -0.926072     -6.637671      6.590012
  H       0.519109     -5.672532      4.903563
  H       0.731398     -4.161036      5.804832
  H       0.113892     -4.111613      4.136416
  H      -2.705924     -3.168981      6.414507
  H      -0.990625     -2.956481      6.803058
  H      -1.576619     -2.635636      5.157427
  N      -4.820983     -4.020808      5.765155
  H      -5.768471     -4.307999      6.017443
  H      -4.255686     -4.057447      6.614895
