84
Coordinates from ORCA-job orca E -5420.662698676599
  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
84
Coordinates from ORCA-job orca E -5420.708202829566
  N      -3.922522     -3.430066      2.619713
  C      -3.922706     -4.032422      1.289963
  C      -3.144359     -5.337597      1.308897
  N      -3.602918     -6.134217      2.450021
  C      -4.833427     -6.884539      2.144428
  C      -5.700385     -6.945196      3.413100
  N      -5.915588     -5.610415      3.940520
  Mo     -4.013299     -4.767467      4.105435
  N      -2.056241     -5.190423      4.475881
  C      -1.480098     -6.264740      3.678199
  C      -2.556488     -7.042762      2.924864
  H      -0.939198     -6.998973      4.301000
  H      -0.737308     -5.868673      2.957416
  H      -3.024300     -7.757053      3.612767
  H      -2.112692     -7.613706      2.090096
  H      -6.633890     -7.479145      3.173997
  H      -5.182915     -7.570760      4.161665
  H      -5.389293     -6.345579      1.372955
  H      -4.600068     -7.893051      1.763579
  H      -3.460726     -3.388120      0.530183
  H      -4.960268     -4.220427      0.956471
  H      -2.089317     -5.090651      1.470335
  H      -3.243427     -5.895645      0.362871
  C      -1.740774      0.444958      1.202775
  C      -1.595484     -0.401068      2.225789
  C      -0.816287     -0.013508      3.452842
  C      -2.138151     -1.806250      2.192246
  C      -3.660843     -1.982072      2.535987
  C      -4.554183     -1.300774      1.477224
  C      -3.942918     -1.260180      3.854002
  C      -7.365140     -5.778114      6.859702
  C      -8.297939     -5.318735      6.022153
  C      -9.372921     -4.369641      6.473306
  C      -8.337194     -5.741701      4.579616
  C      -7.244056     -5.070317      3.661903
  C      -7.706704     -5.294991      2.197701
  C      -7.265747     -3.547407      3.863391
  C      -3.228298     -5.395359      8.423288
  C      -2.805105     -5.959194      7.287868
  C      -3.730303     -6.736342      6.404644
  C      -1.390076     -5.837651      6.806768
  C      -1.208440     -4.830320      5.609905
  C       0.297499     -4.810490      5.255973
  C      -1.544317     -3.418451      6.105726
  H      -1.343921      1.455620      1.235114
  H      -2.260166      0.166101      0.291353
  H      -1.388733     -0.209612      4.364188
  H      -0.539746      1.044298      3.428059
  H       0.103850     -0.608673      3.507777
  H      -1.600695     -2.434159      2.913913
  H      -1.968866     -2.222444      1.191196
  H      -4.462314     -0.216356      1.564568
  H      -5.599519     -1.575917      1.647209
  H      -4.287393     -1.579514      0.454092
  H      -5.007317     -1.311017      4.090857
  H      -3.374690     -1.719395      4.659168
  H      -3.663741     -0.206655      3.759049
  H      -6.629087     -6.500820      6.526723
  H      -7.319937     -5.471953      7.901048
  H     -10.339769     -4.889029      6.482595
  H      -9.465544     -3.521601      5.787048
  H      -9.175759     -3.994578      7.481391
  H      -8.196636     -6.828452      4.513826
  H      -9.320600     -5.503437      4.159205
  H      -7.769774     -6.353862      1.929427
  H      -7.018033     -4.793942      1.510902
  H      -8.699399     -4.858514      2.056904
  H      -8.158154     -3.116766      3.395798
  H      -7.266261     -3.272946      4.918297
  H      -6.372628     -3.135766      3.393651
  H      -4.250497     -5.508928      8.773962
  H      -2.562243     -4.824228      9.062202
  H      -3.927657     -6.142560      5.478289
  H      -3.267788     -7.679711      6.092291
  H      -4.674502     -6.954437      6.907952
  H      -0.740433     -5.507204      7.624525
  H      -1.037903     -6.824657      6.474511
  H       0.706499     -5.811032      5.089168
  H       0.855161     -4.352373      6.076949
  H       0.460422     -4.212906      4.353293
  H      -2.620430     -3.315730      6.248784
  H      -1.031946     -3.213086      7.050076
  H      -1.215308     -2.686951      5.363038
  N      -4.733753     -3.399949      5.405629
84
Coordinates from ORCA-job orca E -5420.748215065589
  N      -3.924668     -3.417495      2.612346
  C      -3.925199     -4.030547      1.274875
  C      -3.148275     -5.336715      1.291296
  N      -3.609080     -6.140087      2.436524
  C      -4.846684     -6.894849      2.130057
  C      -5.703330     -6.951166      3.401900
  N      -5.913855     -5.606504      3.937772
  Mo     -4.021566     -4.751352      4.107746
  N      -2.063704     -5.186727      4.476950
  C      -1.484576     -6.269447      3.675826
  C      -2.556676     -7.052242      2.920097
  H      -0.945442     -7.002633      4.302106
  H      -0.738405     -5.873455      2.957822
  H      -3.027634     -7.766684      3.609141
  H      -2.110993     -7.625934      2.086690
  H      -6.639942     -7.483639      3.169164
  H      -5.183281     -7.579487      4.148998
  H      -5.403322     -6.354477      1.356490
  H      -4.614294     -7.905134      1.747845
  H      -3.460396     -3.388061      0.514410
  H      -4.964451     -4.215934      0.939705
  H      -2.090535     -5.090683      1.452572
  H      -3.247270     -5.896410      0.344700
  C      -1.705563      0.454627      1.179325
  C      -1.570984     -0.392487      2.212142
  C      -0.791584     -0.008252      3.442629
  C      -2.128466     -1.795320      2.183283
  C      -3.655641     -1.958531      2.525043
  C      -4.549173     -1.279943      1.463324
  C      -3.936635     -1.227920      3.839765
  C      -7.367654     -5.811633      6.869147
  C      -8.305454     -5.347124      6.031442
  C      -9.388929     -4.408887      6.491859
  C      -8.339179     -5.754704      4.579758
  C      -7.255179     -5.067296      3.663146
  C      -7.715153     -5.287330      2.197180
  C      -7.289110     -3.544745      3.877605
  C      -3.230885     -5.391175      8.452568
  C      -2.807231     -5.955949      7.312797
  C      -3.737916     -6.736305      6.435424
  C      -1.392167     -5.831396      6.821639
  C      -1.209892     -4.824179      5.623381
  C       0.293927     -4.810490      5.261557
  C      -1.541528     -3.409892      6.121356
  H      -1.296773      1.465939      1.210412
  H      -2.227295      0.173680      0.263392
  H      -1.370325     -0.196201      4.357182
  H      -0.501910      1.049908      3.417152
  H       0.125259     -0.615275      3.506162
  H      -1.595571     -2.425359      2.910931
  H      -1.958260     -2.219316      1.182374
  H      -4.453570     -0.191917      1.545999
  H      -5.598806     -1.551933      1.638061
  H      -4.286550     -1.562846      0.436069
  H      -5.004706     -1.271673      4.080211
  H      -3.373892     -1.678105      4.659938
  H      -3.651062     -0.173164      3.733454
  H      -6.622312     -6.527291      6.527518
  H      -7.325172     -5.513288      7.918077
  H     -10.358256     -4.932985      6.492781
  H      -9.486586     -3.549337      5.813500
  H      -9.196790     -4.042070      7.507979
  H      -8.191335     -6.842938      4.502981
  H      -9.327216     -5.519642      4.159339
  H      -7.770838     -6.348260      1.918523
  H      -7.029719     -4.774916      1.508648
  H      -8.714615     -4.856352      2.061439
  H      -8.191417     -3.120208      3.414228
  H      -7.286456     -3.278274      4.938527
  H      -6.401947     -3.109498      3.410146
  H      -4.258107     -5.506818      8.803434
  H      -2.560595     -4.814748      9.091365
  H      -3.936068     -6.144781      5.506656
  H      -3.278338     -7.682567      6.114925
  H      -4.684990     -6.952336      6.938911
  H      -0.736607     -5.498619      7.637643
  H      -1.039836     -6.822286      6.488186
  H       0.700704     -5.816027      5.092074
  H       0.858180     -4.352921      6.083055
  H       0.457235     -4.211061      4.354992
  H      -2.621178     -3.297240      6.270099
  H      -1.022781     -3.207961      7.067551
  H      -1.211169     -2.673921      5.376384
  N      -4.656376     -3.481177      5.341500
84
Coordinates from ORCA-job orca E -5420.776031578862
  N      -3.929727     -3.404563      2.605497
  C      -3.928656     -4.026452      1.265304
  C      -3.152192     -5.334700      1.279160
  N      -3.614756     -6.144213      2.423062
  C      -4.854333     -6.901339      2.115963
  C      -5.704459     -6.953773      3.390410
  N      -5.912004     -5.603863      3.933363
  Mo     -4.034062     -4.731908      4.111327
  N      -2.075857     -5.178775      4.481056
  C      -1.494435     -6.265976      3.678103
  C      -2.559948     -7.054348      2.916366
  H      -0.957485     -6.996993      4.308796
  H      -0.744800     -5.868922      2.964782
  H      -3.034746     -7.768586      3.604266
  H      -2.109428     -7.629548      2.086162
  H      -6.643540     -7.484139      3.163502
  H      -5.183863     -7.583154      4.136897
  H      -5.409609     -6.360271      1.340514
  H      -4.621889     -7.912317      1.733296
  H      -3.460653     -3.384013      0.506257
  H      -4.967977     -4.208384      0.927960
  H      -2.093484     -5.090013      1.442432
  H      -3.249373     -5.893887      0.331445
  C      -1.680636      0.450582      1.161270
  C      -1.555313     -0.392975      2.200428
  C      -0.776621     -0.009379      3.431649
  C      -2.125093     -1.792213      2.176997
  C      -3.653754     -1.942226      2.516957
  C      -4.542732     -1.267511      1.450246
  C      -3.934719     -1.203481      3.827075
  C      -7.365691     -5.848607      6.865995
  C      -8.305043     -5.373520      6.034066
  C      -9.389160     -4.441741      6.506932
  C      -8.337661     -5.763084      4.575601
  C      -7.259527     -5.062645      3.664479
  C      -7.716546     -5.272834      2.197605
  C      -7.297179     -3.543124      3.897376
  C      -3.231164     -5.386764      8.478036
  C      -2.810255     -5.951293      7.335811
  C      -3.746044     -6.734194      6.467080
  C      -1.398266     -5.823502      6.832898
  C      -1.217889     -4.816707      5.635002
  C       0.282493     -4.808866      5.264102
  C      -1.544936     -3.402409      6.134867
  H      -1.262860      1.459849      1.189893
  H      -2.203161      0.166499      0.244882
  H      -1.359558     -0.188480      4.347266
  H      -0.476314      1.047075      3.403906
  H       0.135480     -0.625264      3.503754
  H      -1.597063     -2.422826      2.909112
  H      -1.955082     -2.223732      1.178152
  H      -4.443044     -0.177972      1.526473
  H      -5.594775     -1.534618      1.626550
  H      -4.281511     -1.556191      0.422804
  H      -5.004245     -1.239870      4.069026
  H      -3.378856     -1.644002      4.659185
  H      -3.643314     -0.150123      3.710318
  H      -6.618578     -6.558488      6.512878
  H      -7.320912     -5.561163      7.919559
  H     -10.361388     -4.963632      6.500476
  H      -9.487703     -3.571519      5.839817
  H      -9.198140     -4.086975      7.528919
  H      -8.188592     -6.851042      4.485425
  H      -9.327835     -5.526263      4.157599
  H      -7.768547     -6.332308      1.907825
  H      -7.033291     -4.751800      1.511088
  H      -8.719091     -4.844219      2.066482
  H      -8.204488     -3.118112      3.441824
  H      -7.289660     -3.289677      4.963186
  H      -6.414985     -3.089725      3.433902
  H      -4.259790     -5.504218      8.829372
  H      -2.558086     -4.806559      9.113289
  H      -3.945772     -6.144983      5.537644
  H      -3.289923     -7.681269      6.139471
  H      -4.693618     -6.948154      6.971478
  H      -0.736788     -5.489135      7.644968
  H      -1.046677     -6.815803      6.498309
  H       0.685498     -5.816771      5.091228
  H       0.854071     -4.353579      6.083652
  H       0.444410     -4.208486      4.356233
  H      -2.623929     -3.281684      6.290438
  H      -1.020005     -3.204385      7.079998
  H      -1.215573     -2.663683      5.389599
  N      -4.587314     -3.562459      5.274826
84
Coordinates from ORCA-job orca E -5420.787155682984
  N      -3.933819     -3.392176      2.580171
  C      -3.922497     -4.031258      1.244702
  C      -3.150071     -5.344276      1.262922
  N      -3.622609     -6.157471      2.400261
  C      -4.863443     -6.911508      2.091260
  C      -5.711816     -6.950340      3.364955
  N      -5.913278     -5.596084      3.911017
  Mo     -4.056043     -4.697458      4.108920
  N      -2.100228     -5.165000      4.486265
  C      -1.518172     -6.259440      3.689571
  C      -2.571455     -7.057745      2.919119
  H      -0.986590     -6.984347      4.331622
  H      -0.760711     -5.865784      2.983403
  H      -3.056840     -7.767059      3.605619
  H      -2.107547     -7.640496      2.101016
  H      -6.656194     -7.474699      3.147712
  H      -5.195559     -7.580603      4.113861
  H      -5.411709     -6.371189      1.309438
  H      -4.631782     -7.925382      1.713401
  H      -3.446271     -3.392279      0.487896
  H      -4.959559     -4.208189      0.898881
  H      -2.090426     -5.106390      1.433812
  H      -3.241443     -5.901674      0.312795
  C      -1.637037      0.439330      1.152138
  C      -1.532911     -0.402046      2.194609
  C      -0.767261     -0.023626      3.434875
  C      -2.118044     -1.795534      2.167621
  C      -3.650189     -1.931008      2.494554
  C      -4.525932     -1.258995      1.416421
  C      -3.944451     -1.193529      3.802342
  C      -7.353294     -5.941989      6.842617
  C      -8.292041     -5.430594      6.032728
  C      -9.363214     -4.503224      6.541428
  C      -8.334187     -5.772723      4.561972
  C      -7.264513     -5.046390      3.663840
  C      -7.722910     -5.223460      2.195260
  C      -7.295645     -3.535858      3.944732
  C      -3.223450     -5.357476      8.514565
  C      -2.816316     -5.928961      7.370959
  C      -3.765718     -6.717615      6.523898
  C      -1.412186     -5.800044      6.844224
  C      -1.238814     -4.798491      5.642916
  C       0.256013     -4.800431      5.254979
  C      -1.557795     -3.381077      6.135927
  H      -1.209353      1.444783      1.185538
  H      -2.151146      0.155114      0.230503
  H      -1.363980     -0.194215      4.344193
  H      -0.452592      1.029279      3.410889
  H       0.135744     -0.651724      3.524924
  H      -1.601316     -2.429273      2.905705
  H      -1.940660     -2.232871      1.172361
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  H      -5.581115     -1.520333      1.586233
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  H      -6.613581     -6.644116      6.459169
  H      -7.294211     -5.683551      7.903666
  H     -10.344258     -5.009351      6.519752
  H      -9.454071     -3.608374      5.905298
  H      -9.165768     -4.184451      7.574633
  H      -8.193049     -6.858211      4.434720
  H      -9.327662     -5.522087      4.157889
  H      -7.774040     -6.275848      1.879420
  H      -7.043475     -4.685314      1.517282
  H      -8.727809     -4.794261      2.077652
  H      -8.211584     -3.097649      3.519705
  H      -7.265358     -3.316695      5.018822
  H      -6.424008     -3.058738      3.481927
  H      -4.251596     -5.468028      8.871305
  H      -2.542300     -4.770635      9.135981
  H      -3.967090     -6.137214      5.590062
  H      -3.319162     -7.668728      6.192526
  H      -4.713246     -6.919383      7.033145
  H      -0.739694     -5.461518      7.646364
  H      -1.061970     -6.794136      6.511616
  H       0.652624     -5.810985      5.080816
  H       0.840439     -4.345582      6.066846
  H       0.412486     -4.202874      4.343687
  H      -2.632956     -3.249572      6.305973
  H      -1.020484     -3.180581      7.074173
  H      -1.234030     -2.645316      5.384103
  N      -4.535454     -3.589221      5.234911
84
Coordinates from ORCA-job orca E -5420.799284849441
  N      -3.930527     -3.384401      2.549746
  C      -3.903717     -4.040420      1.223607
  C      -3.137749     -5.358001      1.252700
  N      -3.628177     -6.172043      2.379735
  C      -4.871099     -6.915713      2.063672
  C      -5.725107     -6.938445      3.331017
  N      -5.915768     -5.581834      3.875423
  Mo     -4.077306     -4.661926      4.102120
  N      -2.128963     -5.156865      4.493839
  C      -1.547378     -6.258691      3.708738
  C      -2.588648     -7.063270      2.930331
  H      -1.024205     -6.978159      4.363535
  H      -0.779527     -5.872252      3.010350
  H      -3.090070     -7.763941      3.614537
  H      -2.108894     -7.657558      2.129235
  H      -6.676697     -7.451742      3.119948
  H      -5.219492     -7.572216      4.084185
  H      -5.406731     -6.374114      1.273495
  H      -4.642618     -7.933017      1.692050
  H      -3.416888     -3.406304      0.469446
  H      -4.936867     -4.213113      0.865040
  H      -2.077566     -5.130968      1.435369
  H      -3.220862     -5.911837      0.299238
  C      -1.594238      0.425381      1.137864
  C      -1.513079     -0.409788      2.185631
  C      -0.770713     -0.028433      3.438232
  C      -2.106675     -1.799701      2.155821
  C      -3.642220     -1.925759      2.464807
  C      -4.502139     -1.261733      1.370066
  C      -3.956806     -1.188161      3.767049
  C      -7.333790     -6.070934      6.802862
  C      -8.268107     -5.503232      6.027812
  C      -9.311351     -4.574260      6.587478
  C      -8.329873     -5.780344      4.544379
  C      -7.269180     -5.021779      3.664178
  C      -7.731864     -5.151778      2.194285
  C      -7.290440     -3.525695      4.007467
  C      -3.215053     -5.323832      8.551405
  C      -2.826911     -5.904866      7.406663
  C      -3.794343     -6.696976      6.584591
  C      -1.431774     -5.777950      6.854508
  C      -1.266402     -4.781932      5.649847
  C       0.224012     -4.790903      5.246801
  C      -1.577672     -3.360763      6.132803
  H      -1.162855      1.428804      1.175132
  H      -2.092551      0.136389      0.209444
  H      -1.386648     -0.188992      4.336586
  H      -0.445981      1.021306      3.415720
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  H      -1.916933     -2.244518      1.166488
  H      -4.397566     -0.170571      1.431540
  H      -5.559981     -1.517819      1.530822
  H      -4.224370     -1.563286      0.350783
  H      -5.031250     -1.230439      3.991649
  H      -3.422656     -1.608766      4.625007
  H      -3.670009     -0.133940      3.646906
  H      -6.613557     -6.768540      6.377583
  H      -7.249891     -5.853594      7.871423
  H     -10.306762     -5.050156      6.547802
  H      -9.382805     -3.647889      5.995628
  H      -9.100462     -4.308815      7.632964
  H      -8.204519     -6.860167      4.365964
  H      -9.326918     -5.507057      4.163649
  H      -7.782643     -6.193458      1.845419
  H      -7.056151     -4.591889      1.530346
  H      -8.738476     -4.721344      2.094273
  H      -8.220418     -3.072414      3.632527
  H      -7.221050     -3.352010      5.088215
  H      -6.437032     -3.022078      3.537346
  H      -4.241909     -5.421465      8.915393
  H      -2.523586     -4.731985      9.156016
  H      -3.996014     -6.128309      5.644297
  H      -3.362475     -7.655826      6.255523
  H      -4.741363     -6.877792      7.101048
  H      -0.747648     -5.436730      7.645888
  H      -1.083321     -6.773282      6.524029
  H       0.616179     -5.802625      5.072135
  H       0.819072     -4.335794      6.051105
  H       0.374422     -4.195805      4.333146
  H      -2.648046     -3.221320      6.320485
  H      -1.025212     -3.153820      7.060820
  H      -1.263372     -2.630856      5.371379
  N      -4.517579     -3.548017      5.247694
84
Coordinates from ORCA-job orca E -5420.806162592241
  N      -3.935827     -3.377232      2.530610
  C      -3.899820     -4.042995      1.213789
  C      -3.134566     -5.362051      1.243928
  N      -3.632348     -6.186958      2.354608
  C      -4.875360     -6.919342      2.036218
  C      -5.731791     -6.934709      3.300935
  N      -5.910696     -5.580705      3.845715
  Mo     -4.101047     -4.632490      4.098587
  N      -2.162331     -5.157309      4.502440
  C      -1.579342     -6.259930      3.723193
  C      -2.605295     -7.067117      2.931967
  H      -1.064672     -6.977464      4.386719
  H      -0.801482     -5.876379      3.034679
  H      -3.121241     -7.762804      3.610458
  H      -2.105730     -7.668739      2.147696
  H      -6.691456     -7.434349      3.095187
  H      -5.235029     -7.574332      4.055001
  H      -5.402063     -6.373502      1.242419
  H      -4.652591     -7.938220      1.665720
  H      -3.407746     -3.408019      0.463475
  H      -4.930235     -4.214012      0.846815
  H      -2.074767     -5.141607      1.434580
  H      -3.211239     -5.903395      0.282359
  C      -1.581673      0.419406      1.125595
  C      -1.511074     -0.409390      2.177990
  C      -0.784276     -0.022032      3.436692
  C      -2.105822     -1.798587      2.148677
  C      -3.641551     -1.920136      2.447862
  C      -4.491064     -1.261129      1.342917
  C      -3.966360     -1.179061      3.742952
  C      -7.316185     -6.146283      6.765380
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  C      -9.251859     -4.588497      6.611382
  C      -8.325452     -5.777629      4.531193
  C      -7.264022     -5.012919      3.659264
  C      -7.719416     -5.122019      2.188648
  C      -7.274171     -3.528629      4.034753
  C      -3.200931     -5.311534      8.588420
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  C      -3.807386     -6.701549      6.645821
  C      -1.446204     -5.771448      6.865289
  C      -1.294959     -4.779276      5.659472
  C       0.192769     -4.786642      5.243685
  C      -1.598566     -3.358811      6.140930
  H      -1.151326      1.422456      1.162692
  H      -2.070231      0.123197      0.195193
  H      -1.410888     -0.176693      4.328148
  H      -0.456047      1.025926      3.413886
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  H      -6.625665     -6.854219      6.310052
  H      -7.202721     -5.952423      7.835423
  H     -10.262213     -5.029893      6.568486
  H      -9.300582     -3.645606      6.045199
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  H      -7.769988     -6.160151      1.830784
  H      -7.036816     -4.558684      1.535390
  H      -8.724496     -4.688441      2.086275
  H      -8.212067     -3.067630      3.691638
  H      -7.176723     -3.382302      5.116400
  H      -6.433821     -3.010385      3.557451
  H      -4.224233     -5.407561      8.961917
  H      -2.503419     -4.710813      9.175722
  H      -4.016020     -6.144159      5.703534
  H      -3.382550     -7.664539      6.319697
  H      -4.749133     -6.869658      7.172858
  H      -0.751282     -5.425846      7.645345
  H      -1.096676     -6.766078      6.535856
  H       0.586024     -5.796173      5.065500
  H       0.794918     -4.331603      6.042469
  H       0.334945     -4.189775      4.330776
  H      -2.663328     -3.213694      6.348335
  H      -1.029753     -3.151782      7.058788
  H      -1.295189     -2.630387      5.374765
  N      -4.492700     -3.518937      5.283492
84
Coordinates from ORCA-job orca E -5420.810729264485
  N      -3.932877     -3.367410      2.505864
  C      -3.882419     -4.044720      1.199026
  C      -3.119422     -5.365364      1.238995
  N      -3.631307     -6.197102      2.333455
  C      -4.876192     -6.916354      2.010630
  C      -5.739279     -6.921392      3.271077
  N      -5.908380     -5.567881      3.812173
  Mo     -4.124781     -4.598316      4.087035
  N      -2.201077     -5.156517      4.515113
  C      -1.612470     -6.261205      3.746167
  C      -2.622903     -7.069612      2.941650
  H      -1.109141     -6.977191      4.420253
  H      -0.822318     -5.882122      3.069136
  H      -3.156459     -7.757229      3.614826
  H      -2.102734     -7.682172      2.178470
  H      -6.705355     -7.408972      3.068173
  H      -5.251658     -7.564452      4.028092
  H      -5.392459     -6.368815      1.211203
  H      -4.661580     -7.938942      1.644748
  H      -3.381366     -3.412817      0.451783
  H      -4.908050     -4.216495      0.819522
  H      -2.060811     -5.150528      1.442027
  H      -3.185285     -5.895677      0.269791
  C      -1.554598      0.415664      1.102298
  C      -1.498981     -0.403784      2.162899
  C      -0.792578     -0.005554      3.429208
  C      -2.094116     -1.792957      2.136402
  C      -3.632412     -1.910961      2.419680
  C      -4.468701     -1.258267      1.300295
  C      -3.972755     -1.162771      3.705040
  C      -7.285383     -6.237335      6.728077
  C      -8.212144     -5.582627      6.016468
  C      -9.191915     -4.637802      6.654553
  C      -8.318981     -5.781664      4.524424
  C      -7.267584     -4.997584      3.658353
  C      -7.732762     -5.078584      2.190052
  C      -7.276419     -3.523606      4.065991
  C      -3.193346     -5.297475      8.623922
  C      -2.842355     -5.895135      7.475659
  C      -3.834464     -6.699994      6.700394
  C      -1.469219     -5.770387      6.876075
  C      -1.327158     -4.777783      5.671979
  C       0.158338     -4.788881      5.244064
  C      -1.615157     -3.356785      6.157562
  H      -1.125420      1.419000      1.137111
  H      -2.029288      0.109520      0.168300
  H      -1.433725     -0.150576      4.311710
  H      -0.461065      1.041003      3.402561
  H       0.091887     -0.645888      3.585244
  H      -1.602210     -2.418364      2.897717
  H      -1.887074     -2.251058      1.157539
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  H      -5.530176     -1.503423      1.449833
  H      -4.177295     -1.577939      0.291585
  H      -5.048936     -1.212964      3.916182
  H      -3.449565     -1.559558      4.579596
  H      -3.696189     -0.107682      3.572905
  H      -6.618430     -6.945260      6.237806
  H      -7.146286     -6.077396      7.800511
  H     -10.212001     -5.055340      6.609493
  H      -9.228592     -3.674798      6.123013
  H      -8.946583     -4.446358      7.707830
  H      -8.228750     -6.852862      4.287840
  H      -9.319378     -5.473677      4.180344
  H      -7.782475     -6.110575      1.816084
  H      -7.053608     -4.503514      1.544406
  H      -8.739506     -4.646088      2.099042
  H      -8.229740     -3.064621      3.765441
  H      -7.140649     -3.402206      5.146067
  H      -6.459909     -2.984087      3.571440
  H      -4.211381     -5.390323      9.010943
  H      -2.486483     -4.692246      9.194570
  H      -4.046996     -6.154306      5.754572
  H      -3.420187     -7.670708      6.383468
  H      -4.772483     -6.851644      7.239345
  H      -0.761802     -5.426902      7.645823
  H      -1.125131     -6.765996      6.544391
  H       0.548432     -5.798241      5.059741
  H       0.768136     -4.338468      6.039360
  H       0.295136     -4.188260      4.333102
  H      -2.673265     -3.203335      6.388367
  H      -1.025931     -3.154897      7.063664
  H      -1.322178     -2.628735      5.387352
  N      -4.474685     -3.491089      5.291870
84
Coordinates from ORCA-job orca E -5420.814391955614
  N      -3.925195     -3.351168      2.475748
  C      -3.859332     -4.044384      1.179819
  C      -3.099576     -5.366783      1.234992
  N      -3.629425     -6.201813      2.315092
  C      -4.878617     -6.903964      1.986325
  C      -5.748417     -6.896959      3.240352
  N      -5.904256     -5.543125      3.777651
  Mo     -4.143474     -4.553882      4.074231
  N      -2.236414     -5.151569      4.530294
  C      -1.643340     -6.258154      3.769635
  C      -2.641041     -7.068727      2.956024
  H      -1.149142     -6.972491      4.452699
  H      -0.842991     -5.883601      3.101702
  H      -3.192737     -7.745435      3.626970
  H      -2.102528     -7.695681      2.214304
  H      -6.721658     -7.370126      3.037501
  H      -5.272693     -7.545360      4.000711
  H      -5.382901     -6.352355      1.181276
  H      -4.675525     -7.930899      1.624691
  H      -3.349165     -3.418997      0.432764
  H      -4.880584     -4.218043      0.788548
  H      -2.042030     -5.158352      1.451794
  H      -3.153412     -5.888761      0.259403
  C      -1.505297      0.404953      1.059491
  C      -1.474076     -0.400447      2.134389
  C      -0.790943      0.011181      3.409984
  C      -2.075748     -1.787536      2.116033
  C      -3.617886     -1.896106      2.381730
  C      -4.437917     -1.250749      1.244412
  C      -3.974560     -1.136972      3.656385
  C      -7.290788     -6.352647      6.714472
  C      -8.205510     -5.657087      6.021230
  C      -9.179245     -4.728501      6.697798
  C      -8.312724     -5.795202      4.516428
  C      -7.272016     -4.974414      3.665876
  C      -7.742482     -5.017774      2.196433
  C      -7.289708     -3.511109      4.119016
  C      -3.154149     -5.286708      8.670016
  C      -2.843411     -5.892300      7.511743
  C      -3.864330     -6.692473      6.760963
  C      -1.482649     -5.775726      6.880418
  C      -1.354529     -4.773798      5.684362
  C       0.128210     -4.782682      5.241543
  C      -1.631381     -3.355405      6.181995
  H      -1.071419      1.406767      1.087573
  H      -1.962785      0.086494      0.120335
  H      -1.452051     -0.114848      4.283116
  H      -0.449240      1.054859      3.373722
  H       0.085025     -0.636792      3.595621
  H      -1.595419     -2.407292      2.890528
  H      -1.857394     -2.258510      1.144753
  H      -4.321473     -0.158906      1.271795
  H      -5.502814     -1.485633      1.387528
  H      -4.138507     -1.586505      0.242446
  H      -5.052246     -1.191708      3.858291
  H      -3.456937     -1.520403      4.541381
  H      -3.704278     -0.081101      3.515712
  H      -6.621090     -7.046315      6.202153
  H      -7.163724     -6.238197      7.796077
  H     -10.203816     -5.134483      6.623585
  H      -9.201080     -3.735257      6.210161
  H      -8.940338     -4.588428      7.766137
  H      -8.225217     -6.860410      4.234984
  H      -9.316159     -5.475843      4.189175
  H      -7.784780     -6.042705      1.796853
  H      -7.067104     -4.421386      1.563199
  H      -8.753181     -4.589509      2.118864
  H      -8.266649     -3.055268      3.871480
  H      -7.110103     -3.423275      5.201252
  H      -6.501916     -2.939965      3.602015
  H      -4.159827     -5.369764      9.088466
  H      -2.423289     -4.685214      9.216309
  H      -4.078991     -6.158770      5.810984
  H      -3.472910     -7.676828      6.453188
  H      -4.801926     -6.816303      7.312760
  H      -0.756502     -5.442380      7.638605
  H      -1.149402     -6.771250      6.537219
  H       0.517779     -5.789875      5.044862
  H       0.745616     -4.339584      6.035343
  H       0.256321     -4.172857      4.335351
  H      -2.683398     -3.199887      6.442780
  H      -1.016974     -3.159347      7.074455
  H      -1.357191     -2.623387      5.408190
  N      -4.473037     -3.460183      5.296706
84
Coordinates from ORCA-job orca E -5420.815968727782
  N      -3.924363     -3.340228      2.461688
  C      -3.855468     -4.042855      1.172479
  C      -3.094293     -5.366234      1.227931
  N      -3.623957     -6.213991      2.295795
  C      -4.877299     -6.905941      1.977338
  C      -5.739385     -6.893712      3.235669
  N      -5.883951     -5.536881      3.763475
  Mo     -4.147570     -4.522384      4.066476
  N      -2.257801     -5.160641      4.536115
  C      -1.659702     -6.260125      3.768977
  C      -2.647471     -7.072896      2.951360
  H      -1.165789     -6.975931      4.449073
  H      -0.857751     -5.880863      3.107073
  H      -3.204897     -7.746078      3.619857
  H      -2.097476     -7.706086      2.224015
  H      -6.717580     -7.356582      3.036143
  H      -5.267922     -7.544504      3.996415
  H      -5.384195     -6.353330      1.175119
  H      -4.686360     -7.936072      1.616113
  H      -3.347578     -3.419859      0.422426
  H      -4.875181     -4.221966      0.780365
  H      -2.037123     -5.160423      1.446394
  H      -3.145114     -5.873910      0.243532
  C      -1.528096      0.439051      1.075988
  C      -1.489744     -0.373821      2.139455
  C      -0.811002      0.032616      3.417765
  C      -2.082111     -1.762645      2.106558
  C      -3.621712     -1.883578      2.371684
  C      -4.445386     -1.237052      1.239781
  C      -3.981774     -1.136973      3.649966
  C      -7.347284     -6.262164      6.752065
  C      -8.227925     -5.607317      6.009367
  C      -9.215871     -4.667853      6.611104
  C      -8.298340     -5.790855      4.526581
  C      -7.261499     -4.986663      3.669098
  C      -7.726759     -5.067872      2.205722
  C      -7.292925     -3.525354      4.084513
  C      -3.043744     -5.345031      8.722281
  C      -2.791229     -5.946184      7.545896
  C      -3.843973     -6.743565      6.829288
  C      -1.453250     -5.817510      6.865053
  C      -1.359205     -4.792038      5.683831
  C       0.117723     -4.780805      5.214820
  C      -1.633918     -3.383890      6.210266
  H      -1.102111      1.442783      1.115006
  H      -1.983941      0.124857      0.135833
  H      -1.469922     -0.105812      4.285476
  H      -0.475727      1.076630      3.393099
  H       0.065567     -0.607554      3.599149
  H      -1.595700     -2.383991      2.872996
  H      -1.864118     -2.223321      1.132829
  H      -4.328588     -0.146879      1.269326
  H      -5.509696     -1.472747      1.384841
  H      -4.149350     -1.570278      0.237580
  H      -5.057873     -1.209603      3.854672
  H      -3.454557     -1.517228      4.527840
  H      -3.727208     -0.077789      3.515778
  H      -6.650841     -6.957561      6.312930
  H      -7.277438     -6.104942      7.815612
  H     -10.239123     -5.070384      6.524258
  H      -9.214616     -3.710372      6.093603
  H      -9.012687     -4.489294      7.662735
  H      -8.205382     -6.850234      4.279524
  H      -9.298321     -5.493120      4.180856
  H      -7.758815     -6.097620      1.833415
  H      -7.049950     -4.485090      1.568388
  H      -8.739762     -4.652220      2.108924
  H      -8.280952     -3.104643      3.849658
  H      -7.087768     -3.405670      5.147421
  H      -6.531645     -2.952945      3.539383
  H      -4.024522     -5.427832      9.193580
  H      -2.282860     -4.748304      9.233186
  H      -4.078205     -6.218901      5.883961
  H      -3.469406     -7.735316      6.523162
  H      -4.771145     -6.852962      7.403439
  H      -0.703776     -5.495271      7.605989
  H      -1.125690     -6.806400      6.497872
  H       0.514915     -5.779987      4.992982
  H       0.743050     -4.347372      6.007924
  H       0.225042     -4.151299      4.318373
  H      -2.678127     -3.239621      6.507095
  H      -0.991951     -3.198766      7.085950
  H      -1.389796     -2.637061      5.439500
  N      -4.464779     -3.467262      5.322137
84
Coordinates from ORCA-job orca E -5420.819333321958
  N      -3.901150     -3.332788      2.434851
  C      -3.819929     -4.047145      1.152844
  C      -3.065110     -5.373572      1.226986
  N      -3.616786     -6.219579      2.284841
  C      -4.878576     -6.891456      1.955315
  C      -5.755605     -6.868268      3.202904
  N      -5.883807     -5.507735      3.730399
  Mo     -4.151651     -4.496720      4.043911
  N      -2.289421     -5.171792      4.556364
  C      -1.681000     -6.270963      3.793679
  C      -2.661904     -7.081418      2.965096
  H      -1.195146     -6.988853      4.476911
  H      -0.871219     -5.892463      3.141174
  H      -3.235380     -7.744414      3.630018
  H      -2.103039     -7.726348      2.256065
  H      -6.736909     -7.315077      2.987629
  H      -5.303582     -7.529054      3.967306
  H      -5.371510     -6.332029      1.148581
  H      -4.703202     -7.925601      1.596176
  H      -3.302792     -3.433225      0.400831
  H      -4.836139     -4.228745      0.751470
  H      -2.009949     -5.173250      1.460546
  H      -3.103057     -5.877272      0.239665
  C      -1.505494      0.434951      1.010756
  C      -1.470399     -0.362370      2.086543
  C      -0.804212      0.068218      3.364175
  C      -2.055846     -1.754851      2.070278
  C      -3.596177     -1.876079      2.330714
  C      -4.412427     -1.241892      1.186037
  C      -3.963765     -1.115272      3.600270
  C      -7.309181     -6.432629      6.719927
  C      -8.181495     -5.687218      6.022258
  C      -9.128577     -4.740155      6.707242
  C      -8.293404     -5.778344      4.519556
  C      -7.264879     -4.953286      3.676777
  C      -7.747810     -4.976691      2.209538
  C      -7.283963     -3.502145      4.140137
  C      -3.067952     -5.355246      8.749001
  C      -2.826603     -5.956991      7.574425
  C      -3.875359     -6.761609      6.866529
  C      -1.492863     -5.819223      6.890723
  C      -1.403225     -4.790758      5.710009
  C       0.078512     -4.744786      5.262022
  C      -1.713739     -3.390400      6.232583
  H      -1.085197      1.442167      1.037661
  H      -1.953033      0.104873      0.071145
  H      -1.469632     -0.057146      4.228556
  H      -0.472344      1.113125      3.323928
  H       0.072196     -0.566059      3.561981
  H      -1.569652     -2.364452      2.846672
  H      -1.834070     -2.227936      1.102170
  H      -4.288535     -0.151387      1.199230
  H      -5.478852     -1.469433      1.330717
  H      -4.114120     -1.594212      0.189710
  H      -5.039868     -1.196262      3.803479
  H      -3.432101     -1.484824      4.481641
  H      -3.718880     -0.053779      3.455887
  H      -6.633317     -7.134876      6.230870
  H      -7.230072     -6.347406      7.806141
  H     -10.168389     -5.099013      6.598778
  H      -9.100365     -3.736954      6.254953
  H      -8.903017     -4.644940      7.778993
  H      -8.229917     -6.831665      4.208921
  H      -9.295256     -5.432738      4.212371
  H      -7.792388     -5.994096      1.799023
  H      -7.070615     -4.376881      1.587109
  H      -8.756705     -4.547662      2.135462
  H      -8.275499     -3.078042      3.948881
  H      -7.043150     -3.406786      5.200004
  H      -6.547767     -2.917727      3.582344
  H      -4.039308     -5.438984      9.237572
  H      -2.303323     -4.757360      9.247776
  H      -4.107703     -6.252038      5.915518
  H      -3.499265     -7.757936      6.585728
  H      -4.801664     -6.863623      7.439163
  H      -0.747400     -5.493997      7.630901
  H      -1.159061     -6.805151      6.524311
  H       0.501398     -5.732733      5.045104
  H       0.678889     -4.299866      6.064877
  H       0.185379     -4.109726      4.369494
  H      -2.757711     -3.275415      6.527307
  H      -1.079236     -3.190199      7.104655
  H      -1.488364     -2.638172      5.461608
  N      -4.490390     -3.448525      5.297500
84
Coordinates from ORCA-job orca E -5420.821245898713
  N      -3.880608     -3.319023      2.417432
  C      -3.794443     -4.042189      1.141081
  C      -3.046789     -5.370758      1.231117
  N      -3.613893     -6.210602      2.284770
  C      -4.880632     -6.868426      1.949822
  C      -5.766050     -6.837965      3.190748
  N      -5.888178     -5.474561      3.716179
  Mo     -4.150678     -4.469731      4.028840
  N      -2.312070     -5.173040      4.573928
  C      -1.693401     -6.262628      3.806911
  C      -2.671821     -7.075005      2.977836
  H      -1.200518     -6.979195      4.486386
  H      -0.887793     -5.874235      3.156034
  H      -3.252637     -7.729980      3.643898
  H      -2.110930     -7.729024      2.278984
  H      -6.747456     -7.276216      2.961128
  H      -5.327610     -7.502865      3.958895
  H      -5.365715     -6.304275      1.141698
  H      -4.715883     -7.904410      1.591339
  H      -3.271699     -3.437682      0.384938
  H      -4.809661     -4.224481      0.737429
  H      -1.993375     -5.174290      1.475713
  H      -3.075286     -5.875862      0.244508
  C      -1.426996      0.411677      0.949243
  C      -1.434956     -0.361243      2.051946
  C      -0.807370      0.096125      3.342471
  C      -2.027812     -1.752758      2.055183
  C      -3.574029     -1.864415      2.297262
  C      -4.375712     -1.242485      1.133923
  C      -3.957172     -1.091333      3.557595
  C      -7.309907     -6.499554      6.710622
  C      -8.185148     -5.748489      6.025748
  C      -9.149739     -4.830263      6.733937
  C      -8.288699     -5.805961      4.519572
  C      -7.278596     -4.934496      3.693990
  C      -7.775048     -4.916437      2.225297
  C      -7.324674     -3.488933      4.205060
  C      -3.036922     -5.374516      8.776588
  C      -2.821238     -5.965468      7.592494
  C      -3.882429     -6.765037      6.898728
  C      -1.496354     -5.828690      6.889310
  C      -1.422958     -4.787480      5.720416
  C       0.054508     -4.729203      5.257387
  C      -1.739981     -3.395112      6.264721
  H      -0.999720      1.417720      0.961357
  H      -1.843056      0.062156      0.000478
  H      -1.510445      0.010199      4.190840
  H      -0.456838      1.137190      3.276930
  H       0.057144     -0.551839      3.592103
  H      -1.555974     -2.351671      2.852318
  H      -1.791412     -2.245659      1.097499
  H      -4.242085     -0.151881      1.128366
  H      -5.445348     -1.458228      1.273378
  H      -4.071180     -1.617472      0.146140
  H      -5.034129     -1.178005      3.753137
  H      -3.427354     -1.453767      4.446069
  H      -3.719040     -0.029035      3.406446
  H      -6.618940     -7.185454      6.212422
  H      -7.246587     -6.439383      7.802653
  H     -10.181311     -5.197010      6.606934
  H      -9.126348     -3.812180      6.310360
  H      -8.936955     -4.765382      7.811893
  H      -8.202598     -6.852496      4.183647
  H      -9.296321     -5.471801      4.223741
  H      -7.809816     -5.924034      1.779018
  H      -7.108550     -4.284995      1.615425
  H      -8.791049     -4.496045      2.175363
  H      -8.345090     -3.084597      4.076538
  H      -7.038287     -3.419718      5.266164
  H      -6.632024     -2.859349      3.620459
  H      -3.996477     -5.458569      9.290314
  H      -2.259197     -4.785540      9.264495
  H      -4.124200     -6.268731      5.941110
  H      -3.515681     -7.770767      6.636493
  H      -4.800192     -6.853798      7.486781
  H      -0.736231     -5.517483      7.621760
  H      -1.175179     -6.811879      6.504019
  H       0.479672     -5.714102      5.023872
  H       0.661175     -4.289761      6.061037
  H       0.148433     -4.084556      4.370477
  H      -2.779547     -3.298504      6.589956
  H      -1.081784     -3.192670      7.121968
  H      -1.546662     -2.634601      5.493457
  N      -4.516486     -3.408166      5.264672
84
Coordinates from ORCA-job orca E -5420.823051151204
  N      -3.853292     -3.312694      2.401317
  C      -3.764847     -4.046374      1.130325
  C      -3.026465     -5.379078      1.235786
  N      -3.609189     -6.212935      2.285660
  C      -4.880598     -6.856423      1.947863
  C      -5.774993     -6.815294      3.181595
  N      -5.889188     -5.446980      3.700109
  Mo     -4.146527     -4.449964      4.014010
  N      -2.338840     -5.188334      4.600023
  C      -1.707745     -6.266973      3.828274
  C      -2.681171     -7.080020      2.994529
  H      -1.209082     -6.982761      4.505164
  H      -0.904532     -5.867120      3.181325
  H      -3.272456     -7.726475      3.660585
  H      -2.116095     -7.744491      2.307228
  H      -6.757099     -7.241756      2.933704
  H      -5.355935     -7.484063      3.956881
  H      -5.357353     -6.287772      1.137697
  H      -4.727322     -7.894833      1.590998
  H      -3.236290     -3.452725      0.369678
  H      -4.779877     -4.227345      0.725547
  H      -1.974623     -5.187491      1.491360
  H      -3.045518     -5.886272      0.249826
  C      -1.453495      0.444604      0.929343
  C      -1.434522     -0.336234      2.019137
  C      -0.792857      0.119738      3.300848
  C      -2.013892     -1.731739      2.017052
  C      -3.556180     -1.857166      2.271208
  C      -4.369905     -1.243496      1.114568
  C      -3.935734     -1.087332      3.533706
  C      -7.293646     -6.531603      6.688193
  C      -8.163256     -5.758057      6.018342
  C      -9.109431     -4.833509      6.747782
  C      -8.283141     -5.798191      4.513430
  C      -7.283239     -4.919861      3.688867
  C      -7.784090     -4.906626      2.223347
  C      -7.340440     -3.475468      4.191136
  C      -3.005777     -5.421668      8.819369
  C      -2.815876     -5.997833      7.623335
  C      -3.889692     -6.793492      6.943395
  C      -1.502254     -5.854835      6.897901
  C      -1.450837     -4.797532      5.743858
  C       0.021619     -4.711234      5.269709
  C      -1.787809     -3.419378      6.314180
  H      -1.038435      1.454481      0.946217
  H      -1.882506      0.100111     -0.013099
  H      -1.478672      0.017748      4.153738
  H      -0.457199      1.163342      3.240998
  H       0.079744     -0.513173      3.530217
  H      -1.528262     -2.329781      2.803657
  H      -1.785597     -2.214888      1.055206
  H      -4.232939     -0.154153      1.100737
  H      -5.438091     -1.457215      1.266239
  H      -4.077537     -1.626112      0.127324
  H      -5.008015     -1.194173      3.742276
  H      -3.387916     -1.441275      4.413710
  H      -3.717274     -0.021600      3.379922
  H      -6.613421     -7.224902      6.182600
  H      -7.225100     -6.481554      7.781538
  H     -10.149564     -5.174954      6.610899
  H      -9.064841     -3.805103      6.347673
  H      -8.893649     -4.799047      7.828293
  H      -8.201908     -6.840998      4.166765
  H      -9.293256     -5.458376      4.232391
  H      -7.819172     -5.912478      1.780081
  H      -7.118354     -4.278158      1.613725
  H      -8.800285     -4.488178      2.173613
  H      -8.372217     -3.096660      4.090316
  H      -7.024877     -3.390776      5.239318
  H      -6.679570     -2.836139      3.583786
  H      -3.952757     -5.509196      9.357346
  H      -2.215615     -4.839790      9.297518
  H      -4.142588     -6.312633      5.980687
  H      -3.531521     -7.808573      6.698792
  H      -4.800037     -6.869635      7.547680
  H      -0.727206     -5.556209      7.621369
  H      -1.190961     -6.833061      6.491258
  H       0.458427     -5.687642      5.018736
  H       0.628561     -4.273948      6.075755
  H       0.098931     -4.053974      4.390264
  H      -2.822248     -3.352513      6.667439
  H      -1.111249     -3.212167      7.158278
  H      -1.632449     -2.645155      5.547887
  N      -4.530906     -3.374783      5.231856
84
Coordinates from ORCA-job orca E -5420.824704710407
  N      -3.831964     -3.305339      2.391689
  C      -3.744138     -4.041720      1.121428
  C      -3.013074     -5.377231      1.231983
  N      -3.606148     -6.209581      2.277025
  C      -4.879405     -6.842507      1.936073
  C      -5.779044     -6.802259      3.164998
  N      -5.890806     -5.433051      3.687862
  Mo     -4.142279     -4.441813      3.997593
  N      -2.366989     -5.208220      4.622694
  C      -1.719795     -6.266875      3.836166
  C      -2.686095     -7.079595      2.993100
  H      -1.209210     -6.983027      4.503572
  H      -0.924500     -5.846018      3.192868
  H      -3.283722     -7.724347      3.655414
  H      -2.117452     -7.746403      2.310367
  H      -6.759468     -7.219239      2.896544
  H      -5.375764     -7.477896      3.942181
  H      -5.351975     -6.265735      1.129513
  H      -4.733669     -7.879870      1.572919
  H      -3.211995     -3.453068      0.359705
  H      -4.759762     -4.218633      0.716985
  H      -1.963328     -5.188596      1.496829
  H      -3.023776     -5.884702      0.245461
  C      -1.434966      0.438244      0.870847
  C      -1.427493     -0.322090      1.978132
  C      -0.806106      0.162595      3.260751
  C      -1.999273     -1.721359      1.995644
  C      -3.541305     -1.849572      2.251682
  C      -4.356171     -1.247565      1.090868
  C      -3.923069     -1.071784      3.509454
  C      -7.275107     -6.521906      6.684943
  C      -8.141105     -5.741955      6.023557
  C      -9.064893     -4.802906      6.757154
  C      -8.277247     -5.788649      4.523964
  C      -7.285700     -4.913419      3.692213
  C      -7.798869     -4.896818      2.231463
  C      -7.335190     -3.471389      4.189667
  C      -2.975726     -5.522013      8.864420
  C      -2.796862     -6.065478      7.652122
  C      -3.868056     -6.866882      6.978777
  C      -1.499172     -5.884841      6.907045
  C      -1.488945     -4.806592      5.770809
  C      -0.024247     -4.650609      5.297035
  C      -1.884615     -3.458793      6.370225
  H      -1.025493      1.451115      0.872542
  H      -1.848494      0.073663     -0.072389
  H      -1.507706      0.083005      4.106018
  H      -0.468291      1.205045      3.179802
  H       0.063505     -0.467164      3.519966
  H      -1.510793     -2.306618      2.791265
  H      -1.767715     -2.216730      1.039485
  H      -4.211747     -0.159698      1.061430
  H      -5.425029     -1.452752      1.249170
  H      -4.070447     -1.646456      0.108440
  H      -4.992640     -1.189524      3.725956
  H      -3.367112     -1.414378      4.389608
  H      -3.716426     -0.004623      3.345793
  H      -6.610505     -7.225928      6.180580
  H      -7.193266     -6.462960      7.773220
  H     -10.113559     -5.120085      6.625901
  H      -9.001414     -3.779892      6.360697
  H      -8.841483     -4.775822      7.831419
  H      -8.201306     -6.830114      4.182938
  H      -9.289458     -5.448390      4.251947
  H      -7.844180     -5.899378      1.787140
  H      -7.134417     -4.273620      1.619211
  H      -8.812179     -4.472408      2.189910
  H      -8.368392     -3.105952      4.115728
  H      -6.989011     -3.375033      5.223514
  H      -6.700727     -2.832883      3.566377
  H      -3.910421     -5.636122      9.417612
  H      -2.186785     -4.939198      9.343502
  H      -4.142514     -6.398406      6.018747
  H      -3.501176     -7.880746      6.740586
  H      -4.766278     -6.952752      7.599477
  H      -0.717538     -5.586756      7.622501
  H      -1.179097     -6.849463      6.476848
  H       0.449816     -5.602995      5.028309
  H       0.565662     -4.205240      6.109125
  H       0.025246     -3.975497      4.428951
  H      -2.912963     -3.452150      6.737774
  H      -1.208664     -3.235946      7.207872
  H      -1.780931     -2.662812      5.618220
  N      -4.541616     -3.357209      5.202267
84
Coordinates from ORCA-job orca E -5420.825898824527
  N      -3.805177     -3.296225      2.375741
  C      -3.719456     -4.040432      1.108136
  C      -2.997578     -5.378446      1.231323
  N      -3.602395     -6.199133      2.277949
  C      -4.875940     -6.825856      1.933037
  C      -5.782622     -6.781251      3.155549
  N      -5.895345     -5.411173      3.678662
  Mo     -4.140045     -4.425644      3.982722
  N      -2.397372     -5.214827      4.654204
  C      -1.732835     -6.254876      3.856995
  C      -2.690119     -7.069744      3.006077
  H      -1.209706     -6.968663      4.516921
  H      -0.946149     -5.813891      3.216664
  H      -3.295480     -7.709957      3.665621
  H      -2.117822     -7.739951      2.330180
  H      -6.761728     -7.192271      2.872212
  H      -5.393260     -7.459324      3.937143
  H      -5.342710     -6.244942      1.126062
  H      -4.734420     -7.863506      1.568617
  H      -3.180819     -3.461026      0.344142
  H      -4.735753     -4.211095      0.703327
  H      -1.949691     -5.192197      1.504202
  H      -3.000519     -5.894829      0.249702
  C      -1.441021      0.448098      0.819736
  C      -1.412740     -0.310640      1.923010
  C      -0.769978      0.176938      3.191320
  C      -1.981995     -1.710269      1.947790
  C      -3.520925     -1.840592      2.221182
  C      -4.347867     -1.249213      1.064879
  C      -3.891632     -1.054224      3.475714
  C      -7.264718     -6.543814      6.669651
  C      -8.130019     -5.754260      6.023549
  C      -9.040014     -4.818362      6.772027
  C      -8.273354     -5.791693      4.523176
  C      -7.291261     -4.898406      3.694808
  C      -7.812102     -4.866355      2.235678
  C      -7.348830     -3.460817      4.211481
  C      -2.959096     -5.611308      8.912499
  C      -2.786544     -6.118613      7.683574
  C      -3.855085     -6.924005      7.010865
  C      -1.503090     -5.904315      6.924531
  C      -1.528306     -4.805161      5.807643
  C      -0.072464     -4.598200      5.328593
  C      -1.963106     -3.484416      6.437598
  H      -1.033818      1.461531      0.814946
  H      -1.871151      0.082245     -0.113564
  H      -1.454161      0.094847      4.045154
  H      -0.436768      1.219190      3.106130
  H       0.102930     -0.445668      3.434315
  H      -1.482347     -2.293857      2.735829
  H      -1.762086     -2.203951      0.990080
  H      -4.194056     -0.163463      1.017482
  H      -5.415952     -1.443505      1.241524
  H      -4.080572     -1.664454      0.084494
  H      -4.956303     -1.180383      3.710115
  H      -3.322400     -1.383408      4.351315
  H      -3.695663      0.012751      3.298799
  H      -6.614348     -7.247865      6.151664
  H      -7.168838     -6.493768      7.756266
  H     -10.092861     -5.118688      6.635379
  H      -8.959759     -3.789436      6.394503
  H      -8.817320     -4.814372      7.846068
  H      -8.189815     -6.830721      4.175290
  H      -9.289177     -5.459537      4.257809
  H      -7.859085     -5.864650      1.777175
  H      -7.151483     -4.233322      1.626131
  H      -8.826516     -4.442489      2.206978
  H      -8.389055     -3.111197      4.170945
  H      -6.977004     -3.371243      5.237605
  H      -6.741168     -2.800249      3.580919
  H      -3.886687     -5.752721      9.470546
  H      -2.173806     -5.030628      9.400341
  H      -4.146297     -6.465156      6.053422
  H      -3.480978     -7.935444      6.773887
  H      -4.743863     -7.020476      7.642896
  H      -0.714320     -5.610218      7.633008
  H      -1.178991     -6.856300      6.470936
  H       0.424407     -5.532792      5.038180
  H       0.512931     -4.152038      6.143727
  H      -0.047734     -3.907505      4.471954
  H      -2.984160     -3.523548      6.821946
  H      -1.282841     -3.252676      7.268902
  H      -1.903755     -2.670585      5.701963
  N      -4.548063     -3.317745      5.161648
84
Coordinates from ORCA-job orca E -5420.826907399771
  N      -3.774762     -3.288992      2.349154
  C      -3.687436     -4.043686      1.085349
  C      -2.980545     -5.386400      1.226438
  N      -3.603222     -6.188748      2.276511
  C      -4.878400     -6.808470      1.927146
  C      -5.792490     -6.756893      3.143741
  N      -5.903082     -5.386306      3.665418
  Mo     -4.143075     -4.405568      3.961986
  N      -2.437394     -5.221159      4.685627
  C      -1.756469     -6.245545      3.881261
  C      -2.703508     -7.060620      3.021217
  H      -1.224823     -6.957937      4.535663
  H      -0.975466     -5.787594      3.245710
  H      -3.320796     -7.693673      3.676442
  H      -2.127153     -7.735648      2.354825
  H      -6.772389     -7.160398      2.849826
  H      -5.416774     -7.437552      3.929611
  H      -5.337622     -6.223775      1.118253
  H      -4.742061     -7.847171      1.563091
  H      -3.137258     -3.475836      0.320813
  H      -4.703116     -4.204695      0.675235
  H      -1.933965     -5.205782      1.508975
  H      -2.975881     -5.915241      0.251834
  C      -1.409855      0.445407      0.760855
  C      -1.407166     -0.287145      1.886932
  C      -0.810667      0.235650      3.167076
  C      -1.960729     -1.691369      1.927282
  C      -3.502526     -1.832969      2.180082
  C      -4.323588     -1.261177      1.007483
  C      -3.894613     -1.036773      3.420994
  C      -7.209552     -6.552398      6.645512
  C      -8.082782     -5.740154      6.034545
  C      -8.954929     -4.797684      6.818277
  C      -8.265527     -5.769612      4.536646
  C      -7.298022     -4.877345      3.691791
  C      -7.835636     -4.857077      2.242284
  C      -7.357028     -3.442723      4.201102
  C      -2.940319     -5.727382      8.959758
  C      -2.778580     -6.191593      7.711384
  C      -3.846625     -7.000227      7.037399
  C      -1.512935     -5.937133      6.936580
  C      -1.575622     -4.811284      5.846320
  C      -0.129685     -4.559504      5.358020
  C      -2.039090     -3.519007      6.513265
  H      -1.014519      1.462271      0.743251
  H      -1.805851      0.052446     -0.179128
  H      -1.525747      0.173694      4.001896
  H      -0.479945      1.276777      3.063601
  H       0.060049     -0.378027      3.460522
  H      -1.466956     -2.257129      2.734793
  H      -1.717459     -2.197358      0.980607
  H      -4.169933     -0.177288      0.941354
  H      -5.392314     -1.450742      1.181055
  H      -4.051546     -1.693110      0.036019
  H      -4.958682     -1.174124      3.650415
  H      -3.328154     -1.345600      4.307777
  H      -3.712390      0.028950      3.231401
  H      -6.592595     -7.262550      6.093619
  H      -7.072914     -6.518721      7.729605
  H     -10.017050     -5.068913      6.698256
  H      -8.858409     -3.763143      6.460747
  H      -8.710167     -4.820929      7.887587
  H      -8.188729     -6.807114      4.185273
  H      -9.287851     -5.437276      4.292476
  H      -7.891520     -5.856951      1.794554
  H      -7.180603     -4.233706      1.620443
  H      -8.848837     -4.430778      2.221825
  H      -8.402233     -3.109992      4.190337
  H      -6.956668     -3.344739      5.211435
  H      -6.775048     -2.774309      3.555789
  H      -3.859581     -5.902458      9.522009
  H      -2.157985     -5.149917      9.457534
  H      -4.154360     -6.544822      6.085391
  H      -3.465388     -8.007262      6.791965
  H      -4.727181     -7.111913      7.679194
  H      -0.714784     -5.649017      7.637112
  H      -1.185024     -6.873667      6.454793
  H       0.382808     -5.477068      5.037381
  H       0.459197     -4.120079      6.175759
  H      -0.130987     -3.849146      4.517470
  H      -3.053892     -3.595580      6.912597
  H      -1.353367     -3.288089      7.341400
  H      -2.016428     -2.685117      5.800852
  N      -4.547814     -3.270692      5.114514
84
Coordinates from ORCA-job orca E -5420.827895509661
  N      -3.749758     -3.277834      2.329785
  C      -3.661010     -4.037880      1.068036
  C      -2.965144     -5.383476      1.223472
  N      -3.600659     -6.169019      2.278695
  C      -4.875222     -6.788016      1.922642
  C      -5.796088     -6.736138      3.133732
  N      -5.908130     -5.367685      3.657623
  Mo     -4.150201     -4.383154      3.948540
  N      -2.477411     -5.215622      4.721427
  C      -1.776507     -6.221168      3.908693
  C      -2.709425     -7.039238      3.037475
  H      -1.234948     -6.931938      4.555139
  H      -1.002966     -5.743426      3.279060
  H      -3.335271     -7.670643      3.685340
  H      -2.125220     -7.713522      2.378711
  H      -6.775719     -7.136930      2.835305
  H      -5.426470     -7.419637      3.920363
  H      -5.329211     -6.201142      1.112191
  H      -4.738737     -7.826459      1.557910
  H      -3.099326     -3.477138      0.306264
  H      -4.674906     -4.189625      0.650332
  H      -1.919556     -5.205977      1.512358
  H      -2.955260     -5.924258      0.255470
  C      -1.396977      0.432653      0.673867
  C      -1.385219     -0.278420      1.812681
  C      -0.772662      0.267479      3.073781
  C      -1.941159     -1.682535      1.882009
  C      -3.480779     -1.822474      2.149417
  C      -4.310791     -1.260597      0.979629
  C      -3.862107     -1.014537      3.383853
  C      -7.202487     -6.587810      6.630437
  C      -8.067742     -5.751844      6.041484
  C      -8.913173     -4.808620      6.847599
  C      -8.263457     -5.762882      4.543099
  C      -7.302514     -4.858451      3.697640
  C      -7.851491     -4.823516      2.252071
  C      -7.360451     -3.430620      4.230046
  C      -2.930343     -5.852005      9.004050
  C      -2.768109     -6.270023      7.739347
  C      -3.818357     -7.095897      7.055746
  C      -1.522414     -5.952381      6.958501
  C      -1.630788     -4.803475      5.893902
  C      -0.196905     -4.484353      5.411940
  C      -2.145397     -3.548821      6.589172
  H      -0.997718      1.448589      0.632529
  H      -1.803791      0.021584     -0.252651
  H      -1.478861      0.226388      3.917231
  H      -0.435882      1.305745      2.946186
  H       0.095740     -0.345516      3.370100
  H      -1.441950     -2.236300      2.693623
  H      -1.704483     -2.203178      0.941187
  H      -4.147172     -0.179403      0.894872
  H      -5.379156     -1.436873      1.170913
  H      -4.056127     -1.708836      0.011135
  H      -4.922735     -1.153131      3.627785
  H      -3.287855     -1.307622      4.268721
  H      -3.684906      0.048940      3.178433
  H      -6.612127     -7.298644      6.053582
  H      -7.047805     -6.578498      7.711220
  H      -9.982524     -5.051459      6.722562
  H      -8.789022     -3.766059      6.517814
  H      -8.668742     -4.865532      7.917064
  H      -8.187203     -6.797655      4.179903
  H      -9.288279     -5.432115      4.309039
  H      -7.914661     -5.820632      1.795394
  H      -7.199704     -4.195983      1.628727
  H      -8.863219     -4.393398      2.244569
  H      -8.410031     -3.105033      4.257062
  H      -6.929090     -3.348266      5.232159
  H      -6.801745     -2.744340      3.579763
  H      -3.839751     -6.077507      9.564084
  H      -2.163303     -5.265057      9.514548
  H      -4.143483     -6.635214      6.112611
  H      -3.412559     -8.087744      6.791322
  H      -4.692833     -7.243425      7.698191
  H      -0.726679     -5.653382      7.656357
  H      -1.169127     -6.867606      6.455486
  H       0.347460     -5.373314      5.066184
  H       0.379521     -4.044518      6.237031
  H      -0.228836     -3.753308      4.590031
  H      -3.157338     -3.671990      6.982873
  H      -1.472924     -3.315657      7.425967
  H      -2.154355     -2.694673      5.901901
  N      -4.550298     -3.232695      5.086853
84
Coordinates from ORCA-job orca E -5420.828764803220
  N      -3.716303     -3.271250      2.303874
  C      -3.628235     -4.039048      1.046536
  C      -2.949246     -5.389682      1.222434
  N      -3.600048     -6.148984      2.287865
  C      -4.875308     -6.766108      1.924804
  C      -5.805087     -6.707853      3.128839
  N      -5.914660     -5.339207      3.648613
  Mo     -4.158772     -4.354963      3.933584
  N      -2.522712     -5.206999      4.761047
  C      -1.801459     -6.196014      3.943891
  C      -2.720134     -7.018510      3.062989
  H      -1.252179     -6.905109      4.584623
  H      -1.033148     -5.701451      3.320954
  H      -3.355442     -7.647462      3.703587
  H      -2.127002     -7.693976      2.413812
  H      -6.784779     -7.106323      2.828411
  H      -5.441828     -7.392241      3.918277
  H      -5.321205     -6.179396      1.109502
  H      -4.739607     -7.805959      1.564210
  H      -3.052748     -3.489734      0.286517
  H      -4.639925     -4.179815      0.620287
  H      -1.903274     -5.218996      1.514351
  H      -2.940110     -5.947354      0.264432
  C      -1.388995      0.423829      0.586740
  C      -1.369339     -0.263217      1.738935
  C      -0.757979      0.313026      2.986552
  C      -1.916097     -1.669444      1.835940
  C      -3.454325     -1.816243      2.108622
  C      -4.289964     -1.272016      0.933783
  C      -3.835274     -0.992283      3.332877
  C      -7.163980     -6.610667      6.604439
  C      -8.031388     -5.753263      6.049896
  C      -8.842423     -4.808519      6.890557
  C      -8.258136     -5.741614      4.554886
  C      -7.309112     -4.828791      3.700879
  C      -7.872400     -4.788886      2.260399
  C      -7.366498     -3.404589      4.245912
  C      -2.921410     -5.996580      9.040850
  C      -2.759322     -6.365297      7.760670
  C      -3.784713     -7.210596      7.061115
  C      -1.535791     -5.975314      6.978625
  C      -1.694047     -4.800526      5.948275
  C      -0.275309     -4.407271      5.477840
  C      -2.261993     -3.595188      6.684546
  H      -0.996508      1.440899      0.524308
  H      -1.795576     -0.009548     -0.329178
  H      -1.461080      0.285670      3.831608
  H      -0.427249      1.349379      2.837234
  H       0.113063     -0.288090      3.294236
  H      -1.412321     -2.204973      2.656255
  H      -1.676136     -2.204085      0.904292
  H      -4.121785     -0.192636      0.826866
  H      -5.357693     -1.438895      1.137644
  H      -4.044839     -1.739833     -0.028720
  H      -4.893711     -1.133802      3.584397
  H      -3.254713     -1.264050      4.221763
  H      -3.666897      0.069672      3.108287
  H      -6.601693     -7.318972      5.994356
  H      -6.980596     -6.627315      7.679851
  H      -9.917754     -5.023585      6.779563
  H      -8.700410     -3.762673      6.584489
  H      -8.583892     -4.894616      7.953506
  H      -8.188734     -6.772882      4.176049
  H      -9.286983     -5.406313      4.343846
  H      -7.940842     -5.786374      1.801384
  H      -7.226346     -4.158967      1.630706
  H      -8.884118     -4.357419      2.264456
  H      -8.416041     -3.085448      4.299326
  H      -6.912974     -3.331209      5.238909
  H      -6.824676     -2.708074      3.591864
  H      -3.815833     -6.280361      9.599081
  H      -2.173262     -5.396427      9.563644
  H      -4.125726     -6.735839      6.130146
  H      -3.347962     -8.181749      6.770418
  H      -4.654718     -7.403153      7.698965
  H      -0.746694     -5.662456      7.677977
  H      -1.149153     -6.863283      6.452359
  H       0.301951     -5.260705      5.097772
  H       0.287180     -3.975080      6.316127
  H      -0.342265     -3.648392      4.683510
  H      -3.272655     -3.769969      7.063186
  H      -1.607020     -3.372494      7.538391
  H      -2.299603     -2.713957      6.033227
  N      -4.556049     -3.184494      5.053320
84
Coordinates from ORCA-job orca E -5420.829530457654
  N      -3.690447     -3.265213      2.284727
  C      -3.602883     -4.036837      1.030783
  C      -2.937700     -5.390988      1.225143
  N      -3.599385     -6.124156      2.303215
  C      -4.873022     -6.744697      1.932317
  C      -5.812292     -6.682619      3.128783
  N      -5.923070     -5.313148      3.643298
  Mo     -4.171098     -4.327301      3.924308
  N      -2.563893     -5.189571      4.799164
  C      -1.820531     -6.159741      3.977894
  C      -2.723811     -6.991230      3.088739
  H      -1.261218     -6.864835      4.613111
  H      -1.058900     -5.647047      3.361193
  H      -3.361932     -7.624178      3.721944
  H      -2.119787     -7.662606      2.445224
  H      -6.789939     -7.083537      2.826829
  H      -5.451342     -7.366017      3.920763
  H      -5.311838     -6.161003      1.111048
  H      -4.733040     -7.785610      1.577386
  H      -3.015289     -3.496887      0.273354
  H      -4.611623     -4.169820      0.595532
  H      -1.890757     -5.225444      1.516425
  H      -2.933576     -5.965985      0.277516
  C      -1.375715      0.401712      0.490602
  C      -1.350672     -0.257936      1.658790
  C      -0.731277      0.348163      2.887341
  C      -1.895583     -1.663348      1.790457
  C      -3.431236     -1.810510      2.080805
  C      -4.280072     -1.270796      0.914684
  C      -3.795891     -0.979535      3.304479
  C      -7.136404     -6.626959      6.589650
  C      -7.995573     -5.744171      6.060314
  C      -8.765117     -4.786609      6.926798
  C      -8.256161     -5.715473      4.572221
  C      -7.319741     -4.804344      3.702116
  C      -7.897764     -4.779603      2.268473
  C      -7.379700     -3.377448      4.238084
  C      -2.920783     -6.152959      9.061490
  C      -2.747344     -6.466462      7.768640
  C      -3.728939     -7.335493      7.038247
  C      -1.546773     -5.987975      6.999324
  C      -1.759123     -4.791032      6.003194
  C      -0.359877     -4.316509      5.551292
  C      -2.389029     -3.644431      6.780757
  H      -0.982621      1.417333      0.401794
  H      -1.785887     -0.054158     -0.412234
  H      -1.431221      0.347182      3.736552
  H      -0.395403      1.379372      2.708397
  H       0.138073     -0.250589      3.206656
  H      -1.383559     -2.181941      2.615321
  H      -1.662140     -2.214592      0.867419
  H      -4.107988     -0.193487      0.798302
  H      -5.345664     -1.430991      1.136044
  H      -4.050930     -1.745714     -0.047308
  H      -4.851585     -1.117942      3.569628
  H      -3.204094     -1.243777      4.186292
  H      -3.629030      0.080666      3.070485
  H      -6.608952     -7.343049      5.958863
  H      -6.928987     -6.661589      7.659436
  H      -9.850015     -4.961086      6.818927
  H      -8.587196     -3.737293      6.644103
  H      -8.501009     -4.906251      7.987730
  H      -8.201001     -6.743605      4.182760
  H      -9.286824     -5.370822      4.386419
  H      -7.969278     -5.782101      1.822201
  H      -7.259857     -4.155830      1.624968
  H      -8.910199     -4.349388      2.277821
  H      -8.430942     -3.064354      4.308226
  H      -6.909152     -3.298645      5.222226
  H      -6.851004     -2.681952      3.571110
  H      -3.795838     -6.506671      9.610765
  H      -2.203223     -5.533282      9.602410
  H      -4.085353     -6.835194      6.125875
  H      -3.246299     -8.272242      6.710888
  H      -4.594243     -7.591908      7.660146
  H      -0.776868     -5.652174      7.709306
  H      -1.109729     -6.840480      6.454767
  H       0.254648     -5.128520      5.140085
  H       0.182706     -3.890192      6.405649
  H      -0.464944     -3.533208      4.785076
  H      -3.399398     -3.878110      7.129734
  H      -1.761425     -3.438029      7.659688
  H      -2.452667     -2.734948      6.170971
  N      -4.574779     -3.142626      5.027248
84
Coordinates from ORCA-job orca E -5420.830175726222
  N      -3.654806     -3.264438      2.263829
  C      -3.569240     -4.040725      1.014713
  C      -2.924044     -5.401356      1.228855
  N      -3.601195     -6.104665      2.318948
  C      -4.874443     -6.723762      1.938232
  C      -5.824045     -6.651276      3.125812
  N      -5.932242     -5.278106      3.630663
  Mo     -4.182934     -4.298992      3.911593
  N      -2.610602     -5.180308      4.836030
  C      -1.845950     -6.135101      4.015072
  C      -2.733831     -6.972964      3.115226
  H      -1.281261     -6.837092      4.648736
  H      -1.086946     -5.608141      3.406017
  H      -3.376819     -7.610330      3.739666
  H      -2.118325     -7.640526      2.478154
  H      -6.800443     -7.053473      2.821875
  H      -5.466913     -7.331526      3.922609
  H      -5.301963     -6.143102      1.108698
  H      -4.733145     -7.767165      1.591811
  H      -2.968616     -3.512822      0.258850
  H      -4.575251     -4.164787      0.570282
  H      -1.875003     -5.246695      1.519530
  H      -2.929918     -5.993490      0.291910
  C      -1.373353      0.386899      0.413622
  C      -1.336149     -0.247947      1.594068
  C      -0.713678      0.388680      2.805911
  C      -1.867710     -1.654363      1.754757
  C      -3.402245     -1.809260      2.049397
  C      -4.257632     -1.282437      0.880533
  C      -3.764595     -0.968723      3.268846
  C      -7.043577     -6.608283      6.571680
  C      -7.921321     -5.722897      6.079457
  C      -8.653666     -4.761833      6.979383
  C      -8.239007     -5.685889      4.605301
  C      -7.332762     -4.775172      3.704671
  C      -7.938275     -4.774250      2.282874
  C      -7.396330     -3.341049      4.220864
  C      -2.949693     -6.312600      9.066898
  C      -2.752332     -6.568916      7.765603
  C      -3.674871     -7.458447      6.987893
  C      -1.572319     -5.998368      7.026268
  C      -1.835287     -4.788264      6.057149
  C      -0.457263     -4.234683      5.631640
  C      -2.532004     -3.701303      6.863679
  H      -0.989494      1.403067      0.302692
  H      -1.785326     -0.090557     -0.477216
  H      -1.407561      0.403716      3.658084
  H      -0.384767      1.416107      2.602490
  H       0.160170     -0.197231      3.132828
  H      -1.348687     -2.152330      2.588522
  H      -1.630041     -2.219373      0.841733
  H      -4.087896     -0.205711      0.750956
  H      -5.321600     -1.441226      1.109887
  H      -4.032101     -1.769182     -0.077349
  H      -4.819724     -1.103905      3.537170
  H      -3.165867     -1.225327      4.150789
  H      -3.600240      0.090027      3.025600
  H      -6.540824     -7.324963      5.917928
  H      -6.796219     -6.647305      7.633068
  H      -9.741139     -4.918559      6.905981
  H      -8.472396     -3.715863      6.701023
  H      -8.360106     -4.893259      8.027848
  H      -8.196752     -6.710554      4.207323
  H      -9.275491     -5.337766      4.460845
  H      -8.010796     -5.783526      1.853315
  H      -7.318584     -4.155462      1.617676
  H      -8.953626     -4.350283      2.305216
  H      -8.450176     -3.035170      4.308351
  H      -6.904620     -3.244796      5.194000
  H      -6.886354     -2.654004      3.530353
  H      -3.804065     -6.737053      9.598640
  H      -2.271532     -5.672381      9.633057
  H      -4.040985     -6.924555      6.098814
  H      -3.138136     -8.349824      6.621635
  H      -4.535767     -7.788562      7.581568
  H      -0.835240     -5.633968      7.756547
  H      -1.073190     -6.810516      6.473909
  H       0.195362     -5.005889      5.201849
  H       0.058861     -3.808631      6.502552
  H      -0.595590     -3.436701      4.886803
  H      -3.543034     -3.993151      7.166688
  H      -1.944118     -3.513394      7.773126
  H      -2.612327     -2.768098      6.293995
  N      -4.592042     -3.096273      4.995294
84
Coordinates from ORCA-job orca E -5420.830744738836
  N      -3.631764     -3.260172      2.257729
  C      -3.548172     -4.039768      1.012713
  C      -2.916474     -5.404604      1.239808
  N      -3.603010     -6.086662      2.338483
  C      -4.873097     -6.708378      1.950741
  C      -5.831529     -6.626432      3.129888
  N      -5.942954     -5.247779      3.621525
  Mo     -4.197801     -4.272419      3.908100
  N      -2.653532     -5.169751      4.870661
  C      -1.866859     -6.106746      4.049721
  C      -2.737622     -6.952872      3.139580
  H      -1.295014     -6.803505      4.682483
  H      -1.112630     -5.564345      3.447965
  H      -3.379432     -7.599421      3.755140
  H      -2.109844     -7.611548      2.505681
  H      -6.804323     -7.033383      2.821762
  H      -5.477471     -7.298938      3.934249
  H      -5.291838     -6.133512      1.113060
  H      -4.727871     -7.754086      1.613761
  H      -2.939760     -3.520752      0.257080
  H      -4.552049     -4.159401      0.562210
  H      -1.865885     -5.258688      1.528641
  H      -2.932451     -6.008767      0.310918
  C      -1.364912      0.357776      0.335488
  C      -1.321740     -0.248878      1.531635
  C      -0.694067      0.418087      2.725376
  C      -1.848386     -1.652863      1.727314
  C      -3.380985     -1.804871      2.034149
  C      -4.245926     -1.284472      0.869280
  C      -3.727551     -0.955908      3.253428
  C      -6.993172     -6.597246      6.567795
  C      -7.870175     -5.701946      6.092798
  C      -8.560778     -4.724905      7.007470
  C      -8.231402     -5.661170      4.630422
  C      -7.347439     -4.755696      3.705752
  C      -7.971341     -4.780722      2.291616
  C      -7.412915     -3.310524      4.193088
  C      -2.957728     -6.464346      9.060709
  C      -2.738488     -6.663039      7.752743
  C      -3.602984     -7.566371      6.926531
  C      -1.584160     -6.001447      7.045262
  C      -1.904604     -4.781767      6.105641
  C      -0.552375     -4.154324      5.699763
  C      -2.660179     -3.757054      6.944496
  H      -0.984226      1.372005      0.198138
  H      -1.779783     -0.141374     -0.542606
  H      -1.386514      0.461815      3.579190
  H      -0.361232      1.438017      2.491256
  H       0.179140     -0.163342      3.066197
  H      -1.322235     -2.131263      2.568889
  H      -1.613387     -2.236568      0.824915
  H      -4.076897     -0.208422      0.730723
  H      -5.307707     -1.441773      1.109419
  H      -4.028445     -1.779478     -0.086714
  H      -4.781435     -1.079425      3.530941
  H      -3.120290     -1.216411      4.129402
  H      -3.555976      0.100964      3.004298
  H      -6.516716     -7.326900      5.911669
  H      -6.719387     -6.629270      7.623264
  H      -9.655486     -4.845978      6.942493
  H      -8.347032     -3.681418      6.734344
  H      -8.257805     -4.875527      8.052505
  H      -8.207830     -6.684120      4.227016
  H      -9.268335     -5.305927      4.517687
  H      -8.043619     -5.796241      1.876319
  H      -7.366449     -4.166219      1.609135
  H      -8.988567     -4.363556      2.322014
  H      -8.463866     -3.008059      4.272275
  H      -6.922079     -3.187039      5.160557
  H      -6.906708     -2.640095      3.487163
  H      -3.788102     -6.953092      9.575634
  H      -2.319080     -5.805502      9.651580
  H      -3.986012     -7.000179      6.065002
  H      -3.013167     -8.405939      6.520906
  H      -4.449789     -7.972142      7.493967
  H      -0.881685     -5.612091      7.797361
  H      -1.024689     -6.766606      6.482615
  H       0.131403     -4.885746      5.247037
  H      -0.054884     -3.732735      6.585040
  H      -0.726331     -3.343058      4.977325
  H      -3.667534     -4.104876      7.204344
  H      -2.104916     -3.590532      7.879572
  H      -2.760258     -2.802923      6.415782
  N      -4.623427     -3.057734      4.971893
84
Coordinates from ORCA-job orca E -5420.831279922115
  N      -3.621452     -3.250877      2.248564
  C      -3.539088     -4.033644      1.006825
  C      -2.914305     -5.400345      1.241966
  N      -3.606924     -6.071375      2.344206
  C      -4.870941     -6.700483      1.951699
  C      -5.836943     -6.610491      3.123433
  N      -5.960238     -5.225669      3.598125
  Mo     -4.223006     -4.246375      3.895025
  N      -2.708151     -5.156742      4.895079
  C      -1.893129     -6.071588      4.076294
  C      -2.739637     -6.929313      3.152219
  H      -1.313065     -6.759444      4.710586
  H      -1.144872     -5.510902      3.483670
  H      -3.378154     -7.587786      3.757673
  H      -2.094707     -7.575923      2.523017
  H      -6.804377     -7.026732      2.811996
  H      -5.483280     -7.269426      3.938172
  H      -5.284033     -6.134696      1.105458
  H      -4.718930     -7.748395      1.625383
  H      -2.926148     -3.520903      0.250807
  H      -4.541396     -4.151771      0.552143
  H      -1.863360     -5.259628      1.530995
  H      -2.935370     -6.011409      0.317789
  C      -1.329980      0.331113      0.289186
  C      -1.282588     -0.268705      1.488316
  C      -0.628575      0.395869      2.667975
  C      -1.826412     -1.664498      1.698950
  C      -3.358482     -1.796734      2.021698
  C      -4.231301     -1.265254      0.869833
  C      -3.675262     -0.946839      3.246955
  C      -6.885281     -6.550067      6.573596
  C      -7.787621     -5.670290      6.119706
  C      -8.446579     -4.682506      7.046498
  C      -8.209806     -5.655513      4.675598
  C      -7.371795     -4.757817      3.705799
  C      -8.032603     -4.828393      2.311650
  C      -7.452915     -3.300759      4.150354
  C      -2.979690     -6.597240      9.035445
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  C      -3.535999     -7.646093      6.846821
  C      -1.606586     -5.985342      7.058744
  C      -1.992248     -4.764636      6.146216
  C      -0.677885     -4.048534      5.768155
  C      -2.818999     -3.813933      7.008216
  H      -0.936005      1.338882      0.139321
  H      -1.762497     -0.166932     -0.579544
  H      -1.312172      0.464200      3.527777
  H      -0.275931      1.406409      2.418583
  H       0.236728     -0.199915      3.005735
  H      -1.296998     -2.143836      2.537185
  H      -1.605908     -2.255838      0.799328
  H      -4.054710     -0.191307      0.731812
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  H      -3.060733     -1.225621      4.110508
  H      -3.485263      0.106752      2.999656
  H      -6.424673     -7.290092      5.917669
  H      -6.569893     -6.554583      7.618652
  H      -9.542229     -4.794591      7.016330
  H      -8.234446     -3.644876      6.756716
  H      -8.112929     -4.825938      8.081159
  H      -8.192786     -6.680546      4.283701
  H      -9.254048     -5.312040      4.601872
  H      -8.100151     -5.852404      1.922146
  H      -7.458001     -4.221194      1.599121
  H      -9.055509     -4.426796      2.361059
  H      -8.510935     -3.016310      4.244565
  H      -6.942679     -3.133460      5.101808
  H      -6.976952     -2.644903      3.407156
  H      -3.788100     -7.145022      9.524803
  H      -2.385473     -5.924714      9.656652
  H      -3.936982     -7.053374      6.011866
  H      -2.895662     -8.430794      6.409108
  H      -4.363587     -8.123690      7.386183
  H      -0.946986     -5.571872      7.836087
  H      -0.984376     -6.696272      6.490587
  H       0.044385     -4.727601      5.292886
  H      -0.205518     -3.630611      6.668685
  H      -0.896514     -3.225804      5.071063
  H      -3.812022     -4.227794      7.220935
  H      -2.300237     -3.660810      7.965985
  H      -2.953909     -2.844634      6.517378
  N      -4.669230     -3.022490      4.938414
84
Coordinates from ORCA-job orca E -5420.831783993375
  N      -3.622412     -3.248037      2.252483
  C      -3.553247     -4.034153      1.012427
  C      -2.925918     -5.400867      1.239835
  N      -3.613579     -6.077902      2.341384
  C      -4.874693     -6.713018      1.955066
  C      -5.841098     -6.609443      3.124203
  N      -5.975925     -5.215419      3.574250
  Mo     -4.244090     -4.236567      3.889587
  N      -2.739709     -5.159494      4.898754
  C      -1.909380     -6.061674      4.082094
  C      -2.739496     -6.926400      3.150344
  H      -1.324439     -6.741641      4.719066
  H      -1.166363     -5.491689      3.492245
  H      -3.371405     -7.596080      3.750292
  H      -2.082680     -7.560839      2.521894
  H      -6.806069     -7.034895      2.814955
  H      -5.485833     -7.248848      3.952751
  H      -5.287690     -6.158416      1.101393
  H      -4.721095     -7.764653      1.641113
  H      -2.950650     -3.523392      0.247574
  H      -4.560325     -4.155061      0.569622
  H      -1.873241     -5.263608      1.523706
  H      -2.954012     -6.007784      0.313432
  C      -1.300110      0.317152      0.306291
  C      -1.252302     -0.291318      1.501291
  C      -0.585663      0.357210      2.684354
  C      -1.810684     -1.680809      1.705127
  C      -3.344590     -1.795603      2.024300
  C      -4.214210     -1.257488      0.872852
  C      -3.648403     -0.945946      3.252928
  C      -6.821215     -6.487989      6.604314
  C      -7.736130     -5.624840      6.144181
  C      -8.373840     -4.613911      7.055715
  C      -8.193752     -5.654565      4.710479
  C      -7.391765     -4.770128      3.701655
  C      -8.080217     -4.885476      2.323380
  C      -7.488546     -3.299846      4.100253
  C      -2.980262     -6.681942      9.000073
  C      -2.703331     -6.773015      7.691230
  C      -3.465501     -7.681874      6.771499
  C      -1.603591     -5.954839      7.062990
  C      -2.041794     -4.749287      6.155188
  C      -0.761623     -3.970674      5.783285
  C      -2.919702     -3.841535      7.017585
  H      -0.897398      1.320704      0.160439
  H      -1.743867     -0.169261     -0.564395
  H      -1.265629      0.431793      3.545853
  H      -0.220732      1.362584      2.439146
  H       0.274008     -0.249423      3.018018
  H      -1.286920     -2.167790      2.543427
  H      -1.592804     -2.271464      0.804905
  H      -4.036461     -0.183654      0.737204
  H      -5.274874     -1.407238      1.121588
  H      -4.010393     -1.751973     -0.085556
  H      -4.701052     -1.029590      3.545238
  H      -3.037555     -1.245259      4.115200
  H      -3.437535      0.104129      3.011445
  H      -6.370804     -7.249446      5.970084
  H      -6.480778     -6.450034      7.641955
  H      -9.471975     -4.716922      7.042695
  H      -8.156019     -3.585049      6.736306
  H      -8.023235     -4.736235      8.087627
  H      -8.176889     -6.687385      4.341148
  H      -9.243625     -5.327400      4.655078
  H      -8.142852     -5.916793      1.955223
  H      -7.530055     -4.285266      1.586854
  H      -9.107248     -4.498122      2.387086
  H      -8.552331     -3.027505      4.187360
  H      -6.979628     -3.085204      5.044115
  H      -7.027975     -2.663066      3.329201
  H      -3.775138     -7.268995      9.464805
  H      -2.421269     -6.004565      9.649071
  H      -3.889879     -7.070979      5.960815
  H      -2.789386     -8.418402      6.304708
  H      -4.266823     -8.216225      7.296529
  H      -0.989730     -5.515341      7.862718
  H      -0.927192     -6.620766      6.503093
  H      -0.016503     -4.612038      5.289754
  H      -0.298656     -3.549543      6.687299
  H      -1.018130     -3.146240      5.101331
  H      -3.898325     -4.302168      7.202622
  H      -2.427376     -3.678709      7.987401
  H      -3.082714     -2.872371      6.534925
  N      -4.697695     -3.004561      4.921439
84
Coordinates from ORCA-job orca E -5420.832162186066
  N      -3.626325     -3.234118      2.261103
  C      -3.562566     -4.021761      1.020790
  C      -2.926989     -5.384974      1.242757
  N      -3.612465     -6.073477      2.338698
  C      -4.868088     -6.718871      1.952493
  C      -5.840850     -6.610420      3.115533
  N      -5.992498     -5.211032      3.545095
  Mo     -4.271513     -4.221910      3.885994
  N      -2.782805     -5.150960      4.915470
  C      -1.929880     -6.037600      4.106086
  C      -2.736007     -6.908714      3.158178
  H      -1.344827     -6.711474      4.749791
  H      -1.186609     -5.455283      3.527025
  H      -3.367459     -7.588739      3.747469
  H      -2.061104     -7.531268      2.536770
  H      -6.801248     -7.046185      2.806952
  H      -5.484687     -7.233940      3.955678
  H      -5.281503     -6.175003      1.091592
  H      -4.708806     -7.772520      1.648335
  H      -2.967697     -3.508264      0.251146
  H      -4.572654     -4.146898      0.585812
  H      -1.875281     -5.243658      1.529111
  H      -2.949164     -5.986123      0.311962
  C      -1.286850      0.293712      0.280474
  C      -1.221475     -0.315227      1.473692
  C      -0.516381      0.323226      2.639084
  C      -1.799747     -1.696466      1.691256
  C      -3.329223     -1.785566      2.031966
  C      -4.204397     -1.236806      0.892028
  C      -3.602747     -0.931921      3.264095
  C      -6.741851     -6.435857      6.617159
  C      -7.680659     -5.594100      6.165250
  C      -8.306099     -4.574648      7.075750
  C      -8.173036     -5.662243      4.740896
  C      -7.409455     -4.785844      3.693809
  C      -8.124956     -4.938267      2.331399
  C      -7.516138     -3.306742      4.059283
  C      -2.991137     -6.779394      8.968118
  C      -2.696837     -6.810364      7.660152
  C      -3.425314     -7.708516      6.702134
  C      -1.623137     -5.932946      7.072219
  C      -2.104665     -4.731264      6.183239
  C      -0.853678     -3.900160      5.826497
  C      -3.019402     -3.873142      7.058862
  H      -0.869231      1.290624      0.123223
  H      -1.760571     -0.185798     -0.578449
  H      -1.175622      0.415321      3.514622
  H      -0.134676      1.321150      2.383160
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  H      -1.603307     -2.295795      0.790318
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  H      -2.991016     -1.245873      4.119514
  H      -3.371054      0.113831      3.021499
  H      -6.296450     -7.204397      5.985578
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  H      -9.401178     -4.687189      7.093484
  H      -8.106392     -3.550470      6.733154
  H      -7.929330     -4.674643      8.099764
  H      -8.147639     -6.703553      4.392087
  H      -9.230470     -5.355564      4.704288
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  H      -7.597960     -4.342390      1.573600
  H      -9.155735     -4.564348      2.410648
  H      -8.579932     -3.041122      4.142003
  H      -7.006190     -3.058816      4.994134
  H      -7.067031     -2.685832      3.271733
  H      -3.770961     -7.409068      9.400457
  H      -2.460128     -6.112326      9.649701
  H      -3.867554     -7.084744      5.912241
  H      -2.723749     -8.403290      6.210247
  H      -4.206734     -8.288767      7.207085
  H      -1.046060     -5.483115      7.892660
  H      -0.906637     -6.554813      6.511382
  H      -0.091378     -4.504377      5.312028
  H      -0.396673     -3.485314      6.736506
  H      -1.140978     -3.068653      5.166304
  H      -3.984937     -4.369325      7.223477
  H      -2.540988     -3.716419      8.036749
  H      -3.211360     -2.899796      6.597723
  N      -4.740167     -2.986805      4.906144
84
Coordinates from ORCA-job orca E -5420.832435289261
  N      -3.630840     -3.229707      2.262154
  C      -3.577338     -4.019019      1.020395
  C      -2.931063     -5.377458      1.235054
  N      -3.608310     -6.077977      2.327375
  C      -4.861628     -6.732366      1.947244
  C      -5.836735     -6.620290      3.108661
  N      -6.000861     -5.217331      3.520997
  Mo     -4.286884     -4.219541      3.880256
  N      -2.801210     -5.147835      4.915850
  C      -1.935445     -6.024158      4.108658
  C      -2.727501     -6.900750      3.153459
  H      -1.349761     -6.695592      4.753804
  H      -1.193297     -5.433982      3.535966
  H      -3.356293     -7.587654      3.736853
  H      -2.041306     -7.515474      2.536849
  H      -6.794755     -7.065431      2.807012
  H      -5.476019     -7.231783      3.955967
  H      -5.279761     -6.198419      1.082079
  H      -4.699132     -7.787915      1.651359
  H      -2.995797     -3.501589      0.243149
  H      -4.592650     -4.149508      0.600273
  H      -1.879939     -5.228788      1.520673
  H      -2.946892     -5.972150      0.299902
  C      -1.277653      0.294942      0.292964
  C      -1.208610     -0.324527      1.480401
  C      -0.497342      0.300502      2.649497
  C      -1.794700     -1.703520      1.689838
  C      -3.322634     -1.784060      2.034582
  C      -4.198483     -1.227328      0.898654
  C      -3.589473     -0.931964      3.268990
  C      -6.704782     -6.397679      6.638956
  C      -7.644206     -5.556853      6.180804
  C      -8.245450     -4.507435      7.072554
  C      -8.156758     -5.661161      4.764450
  C      -7.418354     -4.801352      3.684274
  C      -8.158378     -4.988991      2.339004
  C      -7.533304     -3.316819      4.022221
  C      -2.995609     -6.827787      8.949847
  C      -2.696282     -6.825830      7.642122
  C      -3.410273     -7.719290      6.669001
  C      -1.636371     -5.921605      7.074812
  C      -2.131444     -4.722648      6.190546
  C      -0.891725     -3.871720      5.843785
  C      -3.062335     -3.886879      7.067635
  H      -0.855044      1.290413      0.142898
  H      -1.758681     -0.174162     -0.567830
  H      -1.154732      0.389843      3.526813
  H      -0.109622      1.297627      2.401430
  H       0.349929     -0.331081      2.962634
  H      -1.270506     -2.203827      2.518781
  H      -1.605083     -2.298900      0.785161
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  H      -5.257887     -1.362677      1.161417
  H      -4.016251     -1.720095     -0.065039
  H      -4.640437     -0.989196      3.574202
  H      -2.982184     -1.250671      4.125767
  H      -3.349695      0.112658      3.029740
  H      -6.284078     -7.187827      6.017217
  H      -6.317581     -6.315938      7.657213
  H      -9.342909     -4.608351      7.108127
  H      -8.041515     -3.492413      6.704096
  H      -7.853346     -4.586286      8.094054
  H      -8.124235     -6.711717      4.441431
  H      -9.218957     -5.365830      4.735570
  H      -8.211254     -6.034742      2.009343
  H      -7.650227     -4.403638      1.559809
  H      -9.191792     -4.623280      2.429665
  H      -8.598744     -3.054351      4.111373
  H      -7.014472     -3.048264      4.947082
  H      -7.096003     -2.707102      3.218398
  H      -3.767427     -7.481473      9.361086
  H      -2.476609     -6.170445      9.650490
  H      -3.861896     -7.094637      5.884811
  H      -2.699834     -8.397071      6.166547
  H      -4.184045     -8.317859      7.164391
  H      -1.079053     -5.464598      7.905223
  H      -0.901392     -6.524833      6.517143
  H      -0.122527     -4.461034      5.324073
  H      -0.438208     -3.458983      6.756074
  H      -1.188967     -3.037209      5.192352
  H      -4.021263     -4.396829      7.228173
  H      -2.587497     -3.729431      8.046735
  H      -3.271371     -2.913603      6.613792
  N      -4.754822     -2.982412      4.897892
84
Coordinates from ORCA-job orca E -5420.832611785444
  N      -3.646875     -3.221248      2.265471
  C      -3.607597     -4.010753      1.021483
  C      -2.947472     -5.363709      1.226584
  N      -3.607956     -6.076598      2.318842
  C      -4.858416     -6.743337      1.951934
  C      -5.831931     -6.629743      3.115789
  N      -6.008514     -5.224036      3.508678
  Mo     -4.301250     -4.215117      3.880856
  N      -2.809018     -5.135878      4.910618
  C      -1.933259     -5.997445      4.097979
  C      -2.716282     -6.884239      3.145165
  H      -1.338074     -6.664929      4.737278
  H      -1.200763     -5.396080      3.526378
  H      -3.335146     -7.578751      3.728410
  H      -2.022597     -7.491372      2.530055
  H      -6.787059     -7.087450      2.824418
  H      -5.462758     -7.228749      3.968623
  H      -5.286455     -6.221637      1.084333
  H      -4.690868     -7.800533      1.665031
  H      -3.044038     -3.487704      0.235009
  H      -4.629635     -4.148204      0.621577
  H      -1.896463     -5.204099      1.506766
  H      -2.958862     -5.952210      0.287561
  C      -1.254326      0.293129      0.311858
  C      -1.190390     -0.342555      1.491626
  C      -0.467601      0.257414      2.665433
  C      -1.795440     -1.716274      1.688054
  C      -3.322665     -1.779875      2.042008
  C      -4.198042     -1.205035      0.914169
  C      -3.576855     -0.931964      3.282393
  C      -6.699214     -6.381191      6.651814
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  C      -8.227397     -4.474752      7.071707
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  C      -7.426854     -4.815825      3.671802
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  C      -7.550716     -3.326175      3.977863
  C      -2.981456     -6.841090      8.943584
  C      -2.692380     -6.824969      7.632897
  C      -3.406718     -7.719798      6.661645
  C      -1.640991     -5.909945      7.067241
  C      -2.140695     -4.709187      6.187114
  C      -0.906230     -3.850823      5.843597
  C      -3.077647     -3.884180      7.064895
  H      -0.816474      1.284378      0.172964
  H      -1.743781     -0.157853     -0.552795
  H      -1.123474      0.344898      3.545060
  H      -0.064914      1.252369      2.428838
  H       0.370009     -0.392106      2.970652
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  H      -6.294468     -7.181774      6.030000
  H      -6.306555     -6.299741      7.668265
  H      -9.323969     -4.577413      7.118055
  H      -8.026971     -3.461808      6.690838
  H      -7.828036     -4.540572      8.093470
  H      -8.109079     -6.721227      4.469662
  H      -9.217210     -5.377061      4.744225
  H      -8.221295     -6.095321      2.033420
  H      -7.677785     -4.470362      1.541242
  H      -9.211665     -4.683753      2.426929
  H      -8.615188     -3.066173      4.068501
  H      -7.027120     -3.039113      4.891679
  H      -7.118471     -2.730037      3.160794
  H      -3.745573     -7.508265      9.348744
  H      -2.462908     -6.187918      9.649512
  H      -3.863529     -7.101884      5.873861
  H      -2.697519     -8.398580      6.158277
  H      -4.180607     -8.319022      7.157005
  H      -1.086203     -5.449881      7.898479
  H      -0.902748     -6.507583      6.507267
  H      -0.134926     -4.433496      5.320703
  H      -0.452987     -3.440189      6.756906
  H      -1.208654     -3.013558      5.197755
  H      -4.031134     -4.401075      7.232880
  H      -2.598418     -3.720935      8.040610
  H      -3.301933     -2.913158      6.611867
  N      -4.767341     -2.981244      4.904243
84
Coordinates from ORCA-job orca E -5420.832789273532
  N      -3.660239     -3.216584      2.268390
  C      -3.633401     -4.004891      1.022008
  C      -2.959116     -5.352029      1.219972
  N      -3.605033     -6.072866      2.314645
  C      -4.848946     -6.756668      1.957007
  C      -5.823800     -6.641865      3.120643
  N      -6.018160     -5.233092      3.491147
  Mo     -4.321386     -4.211776      3.879715
  N      -2.829067     -5.123671      4.913857
  C      -1.934750     -5.962741      4.096891
  C      -2.700335     -6.863401      3.142455
  H      -1.325893     -6.623118      4.730915
  H      -1.215188     -5.343379      3.528626
  H      -3.306568     -7.570731      3.723394
  H      -1.993341     -7.457969      2.529390
  H      -6.772665     -7.117925      2.838746
  H      -5.443797     -7.224894      3.980061
  H      -5.284896     -6.251098      1.083724
  H      -4.670561     -7.815385      1.682680
  H      -3.087952     -3.475624      0.227161
  H      -4.661355     -4.151552      0.640992
  H      -1.908293     -5.180648      1.495047
  H      -2.967445     -5.938133      0.279218
  C      -1.244546      0.290371      0.328313
  C      -1.179548     -0.360688      1.499562
  C      -0.445352      0.217354      2.677274
  C      -1.797757     -1.729525      1.683670
  C      -3.323129     -1.778947      2.048807
  C      -4.200303     -1.187557      0.929371
  C      -3.561584     -0.934047      3.295613
  C      -6.653338     -6.330157      6.671471
  C      -7.585405     -5.487383      6.196670
  C      -8.138260     -4.377374      7.048733
  C      -8.134737     -5.653774      4.800049
  C      -7.438343     -4.836655      3.658584
  C      -8.210284     -5.114447      2.346763
  C      -7.569598     -3.338320      3.916326
  C      -2.983706     -6.899870      8.917974
  C      -2.694708     -6.851713      7.607820
  C      -3.387195     -7.742336      6.618312
  C      -1.658161     -5.906240      7.063856
  C      -2.175604     -4.701655      6.198803
  C      -0.957919     -3.814981      5.873083
  C      -3.134261     -3.911193      7.084751
  H      -0.797318      1.278410      0.200470
  H      -1.743468     -0.144255     -0.539402
  H      -1.096313      0.298203      3.560361
  H      -0.035586      1.210994      2.452799
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  H      -1.637925     -2.308796      0.763745
  H      -3.983466     -0.118401      0.804458
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  H      -4.042142     -1.672412     -0.043528
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  H      -2.957036     -1.268901      4.148076
  H      -3.304560      0.109498      3.067120
  H      -6.281196     -7.160086      6.068413
  H      -6.235402     -6.223675      7.674299
  H      -9.236188     -4.458406      7.123169
  H      -7.931038     -3.383808      6.626965
  H      -7.715778     -4.410997      8.062061
  H      -8.087094     -6.720095      4.528051
  H      -9.201571     -5.372824      4.784728
  H      -8.253625     -6.178371      2.080829
  H      -7.732424     -4.568731      1.521316
  H      -9.246597     -4.761227      2.441737
  H      -8.633990     -3.078678      4.020146
  H      -7.026079     -3.020844      4.810093
  H      -7.154481     -2.770030      3.070842
  H      -3.733754     -7.593872      9.304828
  H      -2.481497     -6.250242      9.639074
  H      -3.849434     -7.120449      5.835954
  H      -2.664673     -8.402824      6.109223
  H      -4.157930     -8.361347      7.095057
  H      -1.119596     -5.446072      7.905843
  H      -0.902221     -6.480455      6.502385
  H      -0.175232     -4.374563      5.341391
  H      -0.513757     -3.412115      6.794637
  H      -1.276283     -2.971921      5.242115
  H      -4.077695     -4.450252      7.241682
  H      -2.661931     -3.753503      8.065084
  H      -3.379412     -2.938012      6.646887
  N      -4.799266     -2.982264      4.902593
84
Coordinates from ORCA-job orca E -5420.832946407365
  N      -3.682466     -3.204225      2.269941
  C      -3.678012     -3.989583      1.020839
  C      -2.982754     -5.328395      1.206720
  N      -3.604089     -6.057512      2.309198
  C      -4.836333     -6.768620      1.967340
  C      -5.809767     -6.650908      3.133097
  N      -6.032812     -5.238025      3.470460
  Mo     -4.352488     -4.198067      3.876536
  N      -2.863994     -5.099311      4.919317
  C      -1.939729     -5.898100      4.093166
  C      -2.675663     -6.821146      3.134984
  H      -1.303874     -6.542596      4.717703
  H      -1.246408     -5.246313      3.528463
  H      -3.257718     -7.551058      3.712920
  H      -1.948640     -7.392023      2.522024
  H      -6.747841     -7.156325      2.866053
  H      -5.411265     -7.207370      4.001716
  H      -5.285017     -6.288860      1.085910
  H      -4.639518     -7.829064      1.712788
  H      -3.161357     -3.451891      0.213108
  H      -4.714558     -4.150422      0.669706
  H      -1.931391     -5.140450      1.469258
  H      -2.993103     -5.913803      0.265486
  C      -1.215422      0.276699      0.340149
  C      -1.150577     -0.398886      1.497358
  C      -0.386744      0.137825      2.675670
  C      -1.799401     -1.755004      1.664833
  C      -3.319421     -1.773480      2.058285
  C      -4.201779     -1.147139      0.962127
  C      -3.517177     -0.940357      3.320325
  C      -6.577513     -6.264120      6.696231
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  C      -8.010150     -4.263615      7.022772
  C      -8.105987     -5.646807      4.841852
  C      -7.458350     -4.867663      3.646370
  C      -8.255871     -5.227040      2.369748
  C      -7.616990     -3.359113      3.827422
  C      -2.995887     -6.979241      8.876473
  C      -2.700547     -6.887074      7.570511
  C      -3.349914     -7.771860      6.549465
  C      -1.689749     -5.893509      7.063223
  C      -2.238633     -4.687605      6.219557
  C      -1.051986     -3.750147      5.929390
  C      -3.237076     -3.955821      7.114132
  H      -0.745726      1.255812      0.226411
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  H      -1.025154      0.216954      3.567907
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  H      -6.244076     -7.130093      6.121966
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  H      -9.106341     -4.319189      7.136013
  H      -7.798140     -3.295857      6.548284
  H      -7.555513     -4.257432      8.022250
  H      -8.049986     -6.721667      4.607324
  H      -9.175399     -5.376291      4.854088
  H      -8.288848     -6.304241      2.161004
  H      -7.810040     -4.717914      1.503548
  H      -9.295001     -4.885255      2.473005
  H      -8.681623     -3.111629      3.941499
  H      -7.059416     -2.988440      4.689674
  H      -7.227219     -2.831970      2.942966
  H      -3.724064     -7.710015      9.236734
  H      -2.524754     -6.330832      9.618728
  H      -3.818845     -7.143972      5.775967
  H      -2.600837     -8.399399      6.037188
  H      -4.112389     -8.424326      6.994641
  H      -1.180288     -5.434106      7.923183
  H      -0.904090     -6.427652      6.503150
  H      -0.248005     -4.266437      5.385038
  H      -0.627594     -3.361218      6.866406
  H      -1.398491     -2.899786      5.323756
  H      -4.162009     -4.533431      7.241817
  H      -2.784872     -3.808958      8.105385
  H      -3.511717     -2.980388      6.700529
  N      -4.849092     -2.973175      4.896995
84
Coordinates from ORCA-job orca E -5420.833158490310
  N      -3.702575     -3.201145      2.269094
  C      -3.703627     -3.982690      1.018269
  C      -2.995663     -5.316533      1.195378
  N      -3.602257     -6.050806      2.302820
  C      -4.830631     -6.771813      1.968085
  C      -5.798880     -6.658285      3.138799
  N      -6.029577     -5.245597      3.476047
  Mo     -4.352313     -4.199952      3.880051
  N      -2.848369     -5.087159      4.907743
  C      -1.923084     -5.874923      4.071258
  C      -2.657598     -6.806256      3.118511
  H      -1.270243     -6.511363      4.688557
  H      -1.245236     -5.211809      3.500375
  H      -3.224677     -7.544316      3.702194
  H      -1.929920     -7.369161      2.498277
  H      -6.732649     -7.173695      2.874795
  H      -5.391242     -7.211668      4.005104
  H      -5.286906     -6.298166      1.087086
  H      -4.625278     -7.831436      1.716012
  H      -3.201286     -3.437784      0.206577
  H      -4.743047     -4.153788      0.679201
  H      -1.943891     -5.119316      1.449132
  H      -3.010104     -5.901872      0.254142
  C      -1.215662      0.282372      0.362432
  C      -1.155404     -0.409786      1.509921
  C      -0.382069      0.102614      2.693662
  C      -1.815729     -1.761294      1.660028
  C      -3.333952     -1.771812      2.063801
  C      -4.216269     -1.131261      0.975861
  C      -3.520470     -0.946811      3.333240
  C      -6.624582     -6.293687      6.703924
  C      -7.527197     -5.436282      6.202769
  C      -8.007840     -4.256073      7.003980
  C      -8.119122     -5.648210      4.832644
  C      -7.458512     -4.875783      3.640786
  C      -8.248039     -5.240429      2.360044
  C      -7.613110     -3.363121      3.811235
  C      -2.992249     -6.935016      8.893692
  C      -2.705291     -6.875206      7.584598
  C      -3.359758     -7.777791      6.584359
  C      -1.688360     -5.899061      7.053425
  C      -2.222388     -4.685963      6.209337
  C      -1.022271     -3.762695      5.926174
  C      -3.212840     -3.937590      7.102077
  H      -0.737093      1.258557      0.262319
  H      -1.742638     -0.105103     -0.511894
  H      -1.015636      0.170803      3.589958
  H       0.054499      1.090439      2.497602
  H       0.433815     -0.593577      2.946695
  H      -1.292115     -2.340985      2.436557
  H      -1.704749     -2.311593      0.715010
  H      -3.963489     -0.069106      0.863917
  H      -5.271544     -1.208421      1.274778
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  H      -4.566398     -0.972073      3.660000
  H      -2.906255     -1.317570      4.163579
  H      -3.241697      0.094786      3.124328
  H      -6.308315     -7.170233      6.137342
  H      -6.178136     -6.155921      7.690306
  H      -9.105268     -4.292522      7.116010
  H      -7.777722     -3.298218      6.518526
  H      -7.554015     -4.247291      8.003299
  H      -8.072400     -6.722731      4.596664
  H      -9.185023     -5.365465      4.839922
  H      -8.292448     -6.319816      2.164202
  H      -7.792600     -4.746284      1.490383
  H      -9.283696     -4.885455      2.452064
  H      -8.675579     -3.110782      3.930966
  H      -7.048212     -2.990486      4.668755
  H      -7.226223     -2.846469      2.919164
  H      -3.723872     -7.650520      9.276723
  H      -2.514269     -6.270888      9.616518
  H      -3.820854     -7.167884      5.792999
  H      -2.613629     -8.427054      6.094895
  H      -4.129774     -8.411563      7.043128
  H      -1.158482     -5.445243      7.903680
  H      -0.920485     -6.450194      6.485451
  H      -0.220385     -4.285633      5.384232
  H      -0.600898     -3.382367      6.868265
  H      -1.356686     -2.906575      5.322505
  H      -4.142048     -4.506055      7.231950
  H      -2.759618     -3.788645      8.092325
  H      -3.475273     -2.961844      6.682585
  N      -4.857150     -2.984305      4.907420
84
Coordinates from ORCA-job orca E -5420.833334787112
  N      -3.707776     -3.197449      2.268330
  C      -3.713090     -3.978236      1.017529
  C      -3.002133     -5.311575      1.190469
  N      -3.604027     -6.043440      2.303709
  C      -4.829922     -6.771098      1.972638
  C      -5.796749     -6.654113      3.143770
  N      -6.031169     -5.240165      3.475501
  Mo     -4.356785     -4.194449      3.880542
  N      -2.853948     -5.082225      4.909135
  C      -1.923628     -5.859781      4.069069
  C      -2.652295     -6.795172      3.116574
  H      -1.259268     -6.485967      4.684315
  H      -1.257821     -5.187709      3.494397
  H      -3.212636     -7.537674      3.701676
  H      -1.922805     -7.350884      2.492956
  H      -6.729331     -7.173714      2.881741
  H      -5.386589     -7.201221      4.012634
  H      -5.286857     -6.302889      1.089072
  H      -4.620029     -7.830985      1.725940
  H      -3.217324     -3.431472      0.203116
  H      -4.753686     -4.153051      0.683489
  H      -1.948825     -5.114459      1.437201
  H      -3.024833     -5.900383      0.251879
  C      -1.212623      0.281312      0.361968
  C      -1.151686     -0.414164      1.507794
  C      -0.366380      0.089335      2.688613
  C      -1.818142     -1.762363      1.656593
  C      -3.335308     -1.768298      2.064882
  C      -4.217093     -1.124771      0.978108
  C      -3.515733     -0.944533      3.336480
  C      -6.611569     -6.296006      6.698206
  C      -7.508523     -5.431257      6.202431
  C      -7.972167     -4.248441      7.009780
  C      -8.114420     -5.641905      4.837620
  C      -7.461381     -4.876842      3.637835
  C      -8.249392     -5.260735      2.363268
  C      -7.622355     -3.362281      3.786146
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  C      -1.040333     -3.752258      5.945496
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  H      -0.727811      1.254481      0.261644
  H      -1.747395     -0.100052     -0.510761
  H      -0.992123      0.160431      3.590433
  H       0.076078      1.074712      2.491626
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  H      -9.068963     -4.273970      7.126982
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  H      -7.513666     -4.246186      8.008495
  H      -8.076423     -6.715912      4.599865
  H      -9.179080     -5.356194      4.856037
  H      -8.299566     -6.342535      2.186234
  H      -7.793053     -4.783188      1.485478
  H      -9.283468     -4.899661      2.450103
  H      -8.686165     -3.115255      3.911025
  H      -7.053689     -2.970906      4.632689
  H      -7.247396     -2.859580      2.881535
  H      -3.732283     -7.651564      9.278631
  H      -2.527017     -6.268635      9.612113
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  H      -2.602138     -8.437861      6.099709
  H      -4.122495     -8.428561      7.041440
  H      -1.162563     -5.452605      7.902391
  H      -0.929112     -6.449407      6.477916
  H      -0.232983     -4.262594      5.400264
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  H      -4.162050     -4.528138      7.223700
  H      -2.791896     -3.810944      8.105430
  H      -3.496867     -2.972862      6.697211
  N      -4.865790     -2.976192      4.903596
84
Coordinates from ORCA-job orca E -5420.833520990624
  N      -3.731248     -3.185522      2.271133
  C      -3.745259     -3.964141      1.019209
  C      -3.019425     -5.291693      1.179169
  N      -3.604859     -6.029281      2.299272
  C      -4.821722     -6.777217      1.977220
  C      -5.788104     -6.657455      3.148027
  N      -6.039101     -5.241974      3.462634
  Mo     -4.377840     -4.185032      3.881983
  N      -2.873097     -5.068295      4.911075
  C      -1.926886     -5.817417      4.063563
  C      -2.636371     -6.764885      3.109039
  H      -1.239477     -6.421468      4.673927
  H      -1.286384     -5.123880      3.485392
  H      -3.180835     -7.519194      3.693827
  H      -1.897688     -7.301646      2.480865
  H      -6.715383     -7.190181      2.893852
  H      -5.370566     -7.186740      4.023931
  H      -5.283319     -6.324988      1.087834
  H      -4.598196     -7.836799      1.743107
  H      -3.267836     -3.409924      0.198854
  H      -4.788289     -4.150482      0.698978
  H      -1.964642     -5.088249      1.413260
  H      -3.051662     -5.881201      0.241596
  C      -1.200955      0.279996      0.371659
  C      -1.140116     -0.434287      1.506065
  C      -0.326526      0.033346      2.682773
  C      -1.830845     -1.771723      1.644021
  C      -3.341122     -1.759190      2.076002
  C      -4.227401     -1.093482      1.008508
  C      -3.488724     -0.946878      3.357767
  C      -6.583601     -6.303968      6.694501
  C      -7.458580     -5.415432      6.198472
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  C      -8.102161     -5.637994      4.851589
  C      -7.472756     -4.895918      3.625589
  C      -8.265565     -5.326295      2.370239
  C      -7.652946     -3.378507      3.728599
  C      -3.022018     -6.947168      8.886008
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  C      -3.343402     -7.816944      6.578210
  C      -1.717714     -5.897642      7.052388
  C      -2.271997     -4.682000      6.227187
  C      -1.087190     -3.723543      5.979751
  C      -3.290365     -3.970046      7.119272
  H      -0.696045      1.244131      0.278878
  H      -1.755626     -0.076156     -0.498782
  H      -0.936527      0.105721      3.596157
  H       0.135978      1.011931      2.492857
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  H      -5.278883     -1.145196      1.326089
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  H      -2.872447     -1.350851      4.171387
  H      -3.182377      0.089007      3.158409
  H      -6.315667     -7.206957      6.141932
  H      -6.100005     -6.154915      7.663018
  H      -8.948689     -4.172522      7.128469
  H      -7.585537     -3.265725      6.464816
  H      -7.370809     -4.186572      7.971599
  H      -8.081608     -6.715233      4.623553
  H      -9.164635     -5.344052      4.894742
  H      -8.322270     -6.414062      2.234766
  H      -7.813848     -4.882826      1.471778
  H      -9.298156     -4.957788      2.451117
  H      -8.718350     -3.143723      3.859182
  H      -7.082848     -2.949382      4.554245
  H      -7.299440     -2.900379      2.801794
  H      -3.747769     -7.665890      9.272747
  H      -2.560387     -6.269613      9.606654
  H      -3.802051     -7.222103      5.776052
  H      -2.575436     -8.453365      6.106707
  H      -4.102501     -8.463490      7.036823
  H      -1.186453     -5.450487      7.905256
  H      -0.948778     -6.432965      6.471443
  H      -0.269842     -4.210010      5.428589
  H      -0.682627     -3.359872      6.935135
  H      -1.434742     -2.859094      5.396882
  H      -4.210818     -4.560523      7.209432
  H      -2.863016     -3.838803      8.123370
  H      -3.554869     -2.987738      6.716135
  N      -4.898706     -2.969155      4.902609
84
Coordinates from ORCA-job orca E -5420.833628747448
  N      -3.738906     -3.181214      2.270084
  C      -3.755543     -3.959698      1.018007
  C      -3.023085     -5.284288      1.172430
  N      -3.601911     -6.024271      2.295507
  C      -4.814916     -6.781935      1.976625
  C      -5.783435     -6.659612      3.145179
  N      -6.041769     -5.242695      3.449183
  Mo     -4.388114     -4.181540      3.880434
  N      -2.885148     -5.065183      4.913441
  C      -1.929293     -5.799113      4.063277
  C      -2.628426     -6.752618      3.107863
  H      -1.230922     -6.391250      4.672511
  H      -1.300560     -5.095667      3.483431
  H      -3.169231     -7.509943      3.692275
  H      -1.884680     -7.281805      2.479436
  H      -6.709060     -7.196942      2.896070
  H      -5.364020     -7.179597      4.025783
  H      -5.276866     -6.337716      1.083229
  H      -4.585407     -7.841692      1.749984
  H      -3.286966     -3.401929      0.194603
  H      -4.799194     -4.152021      0.703571
  H      -1.967162     -5.079475      1.400549
  H      -3.060534     -5.873809      0.235184
  C      -1.208012      0.292808      0.381903
  C      -1.142297     -0.433236      1.508385
  C      -0.319542      0.018340      2.685581
  C      -1.837060     -1.769052      1.637335
  C      -3.344288     -1.755591      2.077864
  C      -4.235207     -1.084684      1.017301
  C      -3.482182     -0.948082      3.363378
  C      -6.571546     -6.316488      6.695736
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  C      -7.476699     -4.902793      3.615304
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  C      -7.665992     -3.384850      3.685945
  C      -3.041618     -6.953873      8.885650
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  C      -2.293633     -4.684067      6.236137
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  C      -3.320526     -3.985140      7.127129
  H      -0.699537      1.255198      0.296110
  H      -1.769656     -0.052012     -0.489013
  H      -0.921688      0.082372      3.604184
  H       0.144654      0.996716      2.504096
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  H      -2.863853     -1.359155      4.173000
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  H      -6.347220     -7.239136      6.156859
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  H      -8.839564     -4.075176      7.118069
  H      -7.439453     -3.243172      6.426928
  H      -7.252439     -4.149461      7.947751
  H      -8.087536     -6.703737      4.643723
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  H      -7.830261     -4.948533      1.463417
  H      -9.309133     -4.984322      2.453929
  H      -8.731843     -3.154672      3.825614
  H      -7.088618     -2.929614      4.492402
  H      -7.330889     -2.926477      2.743149
  H      -3.764553     -7.675446      9.272195
  H      -2.586554     -6.271173      9.606135
  H      -3.801252     -7.255520      5.773067
  H      -2.568805     -8.473565      6.120275
  H      -4.099988     -8.488264      7.044027
  H      -1.201723     -5.457576      7.906959
  H      -0.967560     -6.434227      6.467766
  H      -0.291151     -4.190044      5.447869
  H      -0.713800     -3.357789      6.961443
  H      -1.464553     -2.847750      5.426016
  H      -4.240321     -4.578832      7.203949
  H      -2.900964     -3.863977      8.135876
  H      -3.584471     -2.999289      6.731866
  N      -4.913938     -2.965165      4.899095
84
Coordinates from ORCA-job orca E -5420.833721597595
  N      -3.734978     -3.183857      2.268136
  C      -3.740831     -3.963065      1.016720
  C      -3.012565     -5.289156      1.174547
  N      -3.598683     -6.029046      2.294348
  C      -4.814269     -6.781268      1.968546
  C      -5.786411     -6.660902      3.133632
  N      -6.038986     -5.243975      3.443376
  Mo     -4.384193     -4.186766      3.878732
  N      -2.880107     -5.073252      4.912475
  C      -1.928619     -5.817059      4.066182
  C      -2.634187     -6.765344      3.111510
  H      -1.237652     -6.413493      4.679737
  H      -1.290415     -5.122561      3.485291
  H      -3.186494     -7.514231      3.695920
  H      -1.894240     -7.302198      2.484795
  H      -6.715471     -7.190015      2.881778
  H      -5.372875     -7.186213      4.014085
  H      -5.271042     -6.330534      1.075714
  H      -4.588375     -7.840847      1.737852
  H      -3.263722     -3.406068      0.197264
  H      -4.781311     -4.153390      0.691036
  H      -1.956133     -5.090426      1.406322
  H      -3.050075     -5.877030      0.236155
  C      -1.228587      0.313546      0.389270
  C      -1.155888     -0.414928      1.513488
  C      -0.337669      0.040118      2.691949
  C      -1.840034     -1.756966      1.639613
  C      -3.348112     -1.755728      2.075765
  C      -4.243264     -1.092605      1.013920
  C      -3.494089     -0.948321      3.359970
  C      -6.581123     -6.350078      6.688284
  C      -7.403856     -5.410539      6.192325
  C      -7.701680     -4.156144      6.965371
  C      -8.084776     -5.619195      4.860662
  C      -7.473210     -4.898782      3.611673
  C      -8.280207     -5.356055      2.374383
  C      -7.661831     -3.381339      3.685272
  C      -3.067424     -6.928217      8.896047
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  C      -1.740725     -5.908197      7.060220
  C      -2.285016     -4.687746      6.233481
  C      -1.093511     -3.736376      5.991569
  C      -3.303164     -3.969850      7.116995
  H      -0.728160      1.280230      0.305791
  H      -1.786800     -0.033870     -0.482576
  H      -0.939683      0.095620      3.610959
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  H      -2.874378     -1.353543      4.171354
  H      -3.187049      0.087843      3.162123
  H      -6.379939     -7.277040      6.147653
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  H      -8.789636     -4.044617      7.113862
  H      -7.360319     -3.256281      6.430267
  H      -7.207686     -4.171549      7.948103
  H      -8.098241     -6.697938      4.639041
  H      -9.140592     -5.302979      4.931051
  H      -8.354113     -6.447182      2.275088
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  H      -9.306928     -4.968759      2.448387
  H      -8.728442     -3.152190      3.824447
  H      -7.086047     -2.923597      4.492123
  H      -7.329221     -2.919317      2.743450
  H      -3.797080     -7.641050      9.285960
  H      -2.610376     -6.241698      9.612255
  H      -3.818052     -7.265614      5.789365
  H      -2.590870     -8.482079      6.149205
  H      -4.120844     -8.481974      7.075796
  H      -1.202673     -5.462373      7.909252
  H      -0.981216     -6.452466      6.476052
  H      -0.275373     -4.225955      5.444565
  H      -0.690739     -3.371578      6.947041
  H      -1.432049     -2.870520      5.404297
  H      -4.233025     -4.547511      7.197952
  H      -2.882290     -3.849639      8.125566
  H      -3.552530     -2.982479      6.715046
  N      -4.908680     -2.970263      4.898294
84
Coordinates from ORCA-job orca E -5420.833847067639
  N      -3.738883     -3.180933      2.267609
  C      -3.744788     -3.959585      1.016302
  C      -3.012754     -5.283655      1.173663
  N      -3.594777     -6.025739      2.292881
  C      -4.807299     -6.782621      1.966628
  C      -5.782130     -6.664978      3.130064
  N      -6.040672     -5.247260      3.433453
  Mo     -4.389907     -4.187081      3.876255
  N      -2.886230     -5.071233      4.913423
  C      -1.928202     -5.806195      4.066070
  C      -2.629235     -6.758629      3.111199
  H      -1.234559     -6.401892      4.677848
  H      -1.291991     -5.108030      3.487624
  H      -3.181392     -7.507745      3.694547
  H      -1.887191     -7.294595      2.485754
  H      -6.708790     -7.198353      2.880434
  H      -5.367011     -7.185611      4.012585
  H      -5.265113     -6.335218      1.072835
  H      -4.577113     -7.841762      1.737885
  H      -3.270772     -3.401598      0.196114
  H      -4.785045     -4.152787      0.692313
  H      -1.956394     -5.083428      1.404002
  H      -3.049764     -5.869804      0.234092
  C      -1.237482      0.327381      0.401823
  C      -1.158892     -0.411277      1.519042
  C      -0.334173      0.032470      2.696249
  C      -1.843560     -1.754340      1.638030
  C      -3.351975     -1.753413      2.075749
  C      -4.249312     -1.088680      1.015780
  C      -3.497430     -0.947309      3.361968
  C      -6.581260     -6.364826      6.699679
  C      -7.368897     -5.401294      6.192827
  C      -7.607248     -4.121652      6.944478
  C      -8.071760     -5.608927      4.873442
  C      -7.475372     -4.905377      3.607373
  C      -8.294552     -5.385713      2.385593
  C      -7.670456     -3.387295      3.657351
  C      -3.094560     -6.931732      8.889907
  C      -2.762606     -6.897208      7.590457
  C      -3.368096     -7.852165      6.603067
  C      -1.755486     -5.910716      7.063440
  C      -2.297020     -4.687076      6.237409
  C      -1.107021     -3.735396      6.001766
  C      -3.320328     -3.974718      7.118861
  H      -0.736723      1.294665      0.324288
  H      -1.799729     -0.012116     -0.470276
  H      -0.931209      0.077672      3.618911
  H       0.120283      1.017267      2.525702
  H       0.472511     -0.694517      2.887357
  H      -1.312963     -2.368929      2.382811
  H      -1.761484     -2.274251      0.672769
  H      -3.975945     -0.032035      0.894594
  H      -5.297962     -1.140807      1.343249
  H      -4.173015     -1.566077      0.029055
  H      -4.535571     -0.948093      3.712990
  H      -2.876260     -1.351812      4.173447
  H      -3.191490      0.089636      3.165646
  H      -6.424474     -7.309325      6.174929
  H      -6.068733     -6.241075      7.656185
  H      -8.688639     -3.954189      7.088396
  H      -7.218221     -3.248558      6.398029
  H      -7.115909     -4.145680      7.928332
  H      -8.098637     -6.689852      4.663548
  H      -9.122878     -5.281050      4.958519
  H      -8.374557     -6.478368      2.312290
  H      -7.842513     -5.002163      1.459467
  H      -9.318142     -4.991499      2.456451
  H      -8.736674     -3.159259      3.801146
  H      -7.089637     -2.912334      4.451525
  H      -7.347939     -2.939151      2.705060
  H      -3.822823     -7.649458      9.273874
  H      -2.647842     -6.241118      9.609028
  H      -3.822128     -7.282350      5.780010
  H      -2.589716     -8.489630      6.150044
  H      -4.126073     -8.495349      7.067025
  H      -1.221713     -5.465126      7.915406
  H      -0.992906     -6.452921      6.481307
  H      -0.285572     -4.224381      5.458323
  H      -0.708500     -3.370345      6.959193
  H      -1.443981     -2.869529      5.413065
  H      -4.251259     -4.551098      7.194837
  H      -2.903434     -3.860305      8.130047
  H      -3.569706     -2.985649      6.720764
  N      -4.924357     -2.975223      4.895985
84
Coordinates from ORCA-job orca E -5420.833980855450
  N      -3.733679     -3.179340      2.264582
  C      -3.732260     -3.958012      1.014210
  C      -3.002712     -5.282898      1.178454
  N      -3.588504     -6.023171      2.295259
  C      -4.798845     -6.780174      1.962568
  C      -5.779488     -6.666753      3.122010
  N      -6.041727     -5.247159      3.419257
  Mo     -4.392133     -4.189635      3.869138
  N      -2.895734     -5.075158      4.917575
  C      -1.929989     -5.805606      4.074471
  C      -2.628810     -6.758872      3.117403
  H      -1.240660     -6.407403      4.687179
  H      -1.287395     -5.108530      3.502411
  H      -3.188305     -7.503531      3.698557
  H      -1.886938     -7.300757      2.496229
  H      -6.703885     -7.202344      2.870180
  H      -5.366836     -7.184781      4.007354
  H      -5.254729     -6.332125      1.068371
  H      -4.565733     -7.838793      1.733106
  H      -3.252026     -3.402106      0.196498
  H      -4.770252     -4.151080      0.682717
  H      -1.946416     -5.085643      1.411607
  H      -3.037107     -5.867886      0.237775
  C      -1.271524      0.361852      0.413771
  C      -1.176406     -0.388243      1.522808
  C      -0.350198      0.052079      2.699609
  C      -1.847196     -1.739732      1.634151
  C      -3.356143     -1.750553      2.071773
  C      -4.260792     -1.090025      1.014955
  C      -3.505052     -0.946552      3.360197
  C      -6.596739     -6.413051      6.722586
  C      -7.298716     -5.397426      6.193233
  C      -7.395147     -4.074683      6.898192
  C      -8.046518     -5.585407      4.897165
  C      -7.475885     -4.908796      3.605420
  C      -8.315267     -5.424644      2.409727
  C      -7.681816     -3.389973      3.616672
  C      -3.160671     -6.931353      8.880392
  C      -2.802627     -6.904899      7.586695
  C      -3.385879     -7.870277      6.597878
  C      -1.786035     -5.920201      7.073977
  C      -2.317138     -4.691112      6.245178
  C      -1.126466     -3.743307      6.019414
  C      -3.348669     -3.982802      7.120392
  H      -0.783035      1.336079      0.343812
  H      -1.834491      0.025309     -0.459425
  H      -0.942648      0.075809      3.626399
  H       0.089419      1.045260      2.539464
  H       0.468258     -0.665507      2.877157
  H      -1.312242     -2.352178      2.378043
  H      -1.756186     -2.254695      0.667006
  H      -3.996281     -0.031266      0.893995
  H      -5.307637     -1.150097      1.346436
  H      -4.183667     -1.565846      0.027178
  H      -4.542925     -0.956718      3.711595
  H      -2.878938     -1.346312      4.170283
  H      -3.206768      0.093104      3.166161
  H      -6.538317     -7.385643      6.229316
  H      -6.058988     -6.306861      7.666139
  H      -8.450513     -3.771102      7.012603
  H      -6.884500     -3.277844      6.336557
  H      -6.927277     -4.125548      7.891911
  H      -8.109742     -6.668130      4.701935
  H      -9.083775     -5.225579      5.013663
  H      -8.405053     -6.519330      2.378159
  H      -7.868729     -5.079465      1.464901
  H      -9.333704     -5.018546      2.476669
  H      -8.747447     -3.165060      3.766902
  H      -7.095692     -2.885479      4.389410
  H      -7.375820     -2.964937      2.647915
  H      -3.891926     -7.652371      9.253232
  H      -2.734006     -6.232198      9.603672
  H      -3.836689     -7.311188      5.764969
  H      -2.596731     -8.503317      6.156009
  H      -4.146820     -8.517484      7.051799
  H      -1.260698     -5.475686      7.932052
  H      -1.017707     -6.461941      6.498627
  H      -0.299018     -4.237212      5.488193
  H      -0.737572     -3.374198      6.979745
  H      -1.455682     -2.879758      5.422318
  H      -4.282495     -4.555360      7.186875
  H      -2.941153     -3.877176      8.136823
  H      -3.594511     -2.991144      6.726266
  N      -4.943272     -2.981898      4.885336
84
Coordinates from ORCA-job orca E -5420.834137433170
  N      -3.709311     -3.187638      2.260130
  C      -3.701378     -3.968826      1.011677
  C      -2.987445     -5.300266      1.189426
  N      -3.589864     -6.030416      2.303249
  C      -4.807081     -6.771054      1.962574
  C      -5.788305     -6.657131      3.121717
  N      -6.036925     -5.238042      3.433080
  Mo     -4.373531     -4.193200      3.865443
  N      -2.885312     -5.085491      4.919717
  C      -1.930242     -5.837292      4.084136
  C      -2.642724     -6.780176      3.126136
  H      -1.258640     -6.454671      4.701067
  H      -1.269340     -5.154997      3.515921
  H      -3.213087     -7.516699      3.707056
  H      -1.909056     -7.335820      2.507599
  H      -6.716308     -7.182124      2.859912
  H      -5.383907     -7.188416      4.002865
  H      -5.258001     -6.310326      1.072445
  H      -4.584463     -7.830003      1.723551
  H      -3.202506     -3.421702      0.199409
  H      -4.736930     -4.150130      0.666346
  H      -1.932092     -5.110341      1.432337
  H      -3.016182     -5.888643      0.250679
  C      -1.281476      0.361119      0.388756
  C      -1.182746     -0.371661      1.509146
  C      -0.373235      0.099411      2.685708
  C      -1.834176     -1.731458      1.634659
  C      -3.346655     -1.755862      2.058961
  C      -4.250383     -1.114438      0.989918
  C      -3.513569     -0.941762      3.339168
  C      -6.624450     -6.444565      6.709583
  C      -7.337822     -5.430483      6.197936
  C      -7.471994     -4.129737      6.936763
  C      -8.061354     -5.595524      4.885661
  C      -7.468956     -4.889353      3.620079
  C      -8.300694     -5.362919      2.400827
  C      -7.661155     -3.368936      3.674650
  C      -3.150407     -6.922582      8.887702
  C      -2.794757     -6.897334      7.593014
  C      -3.384778     -7.854253      6.600893
  C      -1.772274     -5.918000      7.079584
  C      -2.299342     -4.693762      6.241312
  C      -1.104867     -3.754269      6.002852
  C      -3.324272     -3.974988      7.117220
  H      -0.809284      1.342539      0.308391
  H      -1.832613      0.003109     -0.483542
  H      -0.974311      0.125516      3.606985
  H       0.050103      1.097877      2.515011
  H       0.456642     -0.600271      2.880468
  H      -1.297766     -2.324977      2.392299
  H      -1.726074     -2.258947      0.676048
  H      -4.000423     -0.052435      0.866871
  H      -5.299027     -1.189258      1.312434
  H      -4.155546     -1.594011      0.005603
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  H      -2.887887     -1.326115      4.156520
  H      -3.228095      0.100065      3.137351
  H      -6.539219     -7.400686      6.189039
  H      -6.099560     -6.353330      7.661812
  H      -8.533241     -3.840788      7.026808
  H      -6.950867     -3.313492      6.413543
  H      -7.037795     -4.203129      7.943661
  H      -8.117935     -6.674404      4.668332
  H      -9.100436     -5.240037      4.990496
  H      -8.390113     -6.456142      2.330120
  H      -7.847239     -4.985277      1.471678
  H      -9.319330     -4.958948      2.474679
  H      -8.726522     -3.139738      3.812644
  H      -7.085712     -2.894536      4.473672
  H      -7.333503     -2.916472      2.725740
  H      -3.885650     -7.639934      9.260172
  H      -2.720406     -6.225830      9.611004
  H      -3.839173     -7.288469      5.774080
  H      -2.599852     -8.488036      6.152122
  H      -4.146684     -8.501438      7.054054
  H      -1.249958     -5.469453      7.937732
  H      -1.001156     -6.463668      6.511174
  H      -0.280623     -4.260687      5.478139
  H      -0.713168     -3.376179      6.958752
  H      -1.430349     -2.896604      5.395344
  H      -4.258406     -4.545960      7.194001
  H      -2.911199     -3.861264      8.130562
  H      -3.571029     -2.986436      6.716754
  N      -4.914903     -2.977323      4.876571
84
Coordinates from ORCA-job orca E -5420.834308187241
  N      -3.707557     -3.186113      2.258147
  C      -3.696973     -3.968332      1.010390
  C      -2.986087     -5.300915      1.191823
  N      -3.593733     -6.028725      2.305142
  C      -4.811313     -6.767615      1.962918
  C      -5.792175     -6.652645      3.122057
  N      -6.039179     -5.234044      3.435582
  Mo     -4.374428     -4.189650      3.862559
  N      -2.890162     -5.083440      4.920432
  C      -1.936322     -5.841101      4.090163
  C      -2.648149     -6.780021      3.128077
  H      -1.270852     -6.460804      4.710407
  H      -1.270718     -5.161196      3.524682
  H      -3.218673     -7.517845      3.707344
  H      -1.914285     -7.335502      2.510193
  H      -6.720126     -7.176328      2.857021
  H      -5.389942     -7.184893      4.003232
  H      -5.261323     -6.305639      1.072966
  H      -4.589701     -7.826312      1.722677
  H      -3.192636     -3.423120      0.200055
  H      -4.731396     -4.147327      0.660562
  H      -1.931531     -5.111202      1.438024
  H      -3.012061     -5.891061      0.254114
  C      -1.277800      0.362718      0.389030
  C      -1.178613     -0.371417      1.508229
  C      -0.360663      0.095470      2.679912
  C      -1.833499     -1.730064      1.634579
  C      -3.347205     -1.753476      2.056125
  C      -4.248650     -1.116776      0.982747
  C      -3.517974     -0.937083      3.334245
  C      -6.635298     -6.479732      6.704069
  C      -7.332498     -5.451674      6.197148
  C      -7.438190     -4.148218      6.937621
  C      -8.063678     -5.602333      4.886824
  C      -7.471176     -4.888464      3.627071
  C      -8.300393     -5.355871      2.404772
  C      -7.665632     -3.368826      3.689893
  C      -3.158567     -6.917572      8.886795
  C      -2.798207     -6.890952      7.594004
  C      -3.379807     -7.847851      6.596855
  C      -1.777854     -5.906742      7.084723
  C      -2.306695     -4.687509      6.241692
  C      -1.112046     -3.745793      6.003032
  C      -3.334306     -3.966039      7.113124
  H      -0.801674      1.342839      0.306896
  H      -1.833618      0.007508     -0.480326
  H      -0.956532      0.120698      3.604742
  H       0.064444      1.094258      2.508322
  H       0.468995     -0.606240      2.867409
  H      -1.298893     -2.323885      2.392822
  H      -1.724538     -2.258428      0.676584
  H      -4.001604     -0.053887      0.858912
  H      -5.298347     -1.194948      1.301775
  H      -4.147777     -1.598517      0.000015
  H      -4.559476     -0.955070      3.674738
  H      -2.896380     -1.322308      4.154300
  H      -3.230688      0.103906      3.131304
  H      -6.566802     -7.435570      6.180187
  H      -6.103145     -6.398070      7.654089
  H      -8.490148     -3.824634      7.009960
  H      -6.880973     -3.349626      6.423340
  H      -7.023909     -4.237035      7.951985
  H      -8.128523     -6.678314      4.659180
  H      -9.100368     -5.240910      4.999568
  H      -8.389085     -6.447983      2.327812
  H      -7.848030     -4.972389      1.478245
  H      -9.319795     -4.953329      2.481533
  H      -8.732812     -3.143480      3.822735
  H      -7.098494     -2.898483      4.496063
  H      -7.332666     -2.910798      2.745264
  H      -3.894078     -7.635684      9.256360
  H      -2.732967     -6.220467      9.611562
  H      -3.837411     -7.281899      5.772238
  H      -2.589834     -8.474027      6.147800
  H      -4.136615     -8.502153      7.047271
  H      -1.262535     -5.455455      7.945414
  H      -1.000381     -6.448654      6.521735
  H      -0.285784     -4.253200      5.483386
  H      -0.724064     -3.363895      6.958658
  H      -1.436421     -2.891058      5.391549
  H      -4.265515     -4.542078      7.190380
  H      -2.924104     -3.844287      8.126586
  H      -3.582457     -2.980312      6.706505
  N      -4.912946     -2.972475      4.873243
84
Coordinates from ORCA-job orca E -5420.834495112396
  N      -3.692255     -3.185869      2.245270
  C      -3.676804     -3.974797      1.001144
  C      -2.977695     -5.311238      1.197856
  N      -3.601481     -6.026724      2.311854
  C      -4.821894     -6.759730      1.966148
  C      -5.804382     -6.636820      3.122811
  N      -6.044033     -5.217753      3.437247
  Mo     -4.374497     -4.177850      3.849689
  N      -2.908688     -5.078957      4.925549
  C      -1.954911     -5.851123      4.111061
  C      -2.664400     -6.782247      3.140968
  H      -1.305683     -6.475815      4.741749
  H      -1.276389     -5.178236      3.552306
  H      -3.239473     -7.519793      3.716923
  H      -1.929365     -7.340899      2.528398
  H      -6.733782     -7.155158      2.850685
  H      -5.410080     -7.170849      4.006198
  H      -5.267015     -6.295978      1.074314
  H      -4.605292     -7.819343      1.726592
  H      -3.157263     -3.438729      0.194031
  H      -4.708749     -4.145811      0.640718
  H      -1.924837     -5.124018      1.453249
  H      -2.996955     -5.909698      0.265647
  C      -1.276379      0.370777      0.372795
  C      -1.175295     -0.360999      1.493443
  C      -0.363567      0.113318      2.667634
  C      -1.823510     -1.722301      1.622125
  C      -3.338505     -1.751166      2.036340
  C      -4.236936     -1.127433      0.954399
  C      -3.516111     -0.926427      3.306726
  C      -6.660769     -6.585196      6.682964
  C      -7.300618     -5.512575      6.192722
  C      -7.305201     -4.205778      6.938178
  C      -8.060356     -5.613740      4.891681
  C      -7.474361     -4.875771      3.644207
  C      -8.305772     -5.319932      2.415157
  C      -7.669508     -3.356997      3.735288
  C      -3.185439     -6.908700      8.890181
  C      -2.816154     -6.879671      7.600620
  C      -3.379335     -7.839404      6.594740
  C      -1.801187     -5.884884      7.098927
  C      -2.335118     -4.675172      6.248926
  C      -1.142695     -3.724168      6.015998
  C      -3.371854     -3.956864      7.112599
  H      -0.806875      1.353682      0.289924
  H      -1.828724      0.010793     -0.496936
  H      -0.960142      0.126721      3.592641
  H       0.047093      1.118403      2.499252
  H       0.476842     -0.576942      2.852451
  H      -1.289958     -2.309836      2.385390
  H      -1.707412     -2.254146      0.666763
  H      -3.998333     -0.063020      0.829087
  H      -5.288443     -1.214734      1.266027
  H      -4.122682     -1.612669     -0.024188
  H      -4.559896     -0.938548      3.641269
  H      -2.902658     -1.309778      4.132341
  H      -3.224946      0.112376      3.097436
  H      -6.655188     -7.538404      6.149401
  H      -6.107683     -6.539965      7.624376
  H      -8.316638     -3.771077      6.965487
  H      -6.640222     -3.474268      6.450114
  H      -6.949200     -4.338059      7.970224
  H      -8.153255     -6.680777      4.633664
  H      -9.087477     -5.234073      5.034857
  H      -8.396227     -6.410367      2.318015
  H      -7.859257     -4.918547      1.493406
  H      -9.325343     -4.918202      2.505517
  H      -8.738939     -3.137311      3.859678
  H      -7.117361     -2.901943      4.558972
  H      -7.325738     -2.882599      2.803322
  H      -3.919664     -7.630763      9.254149
  H      -2.769351     -6.209498      9.617874
  H      -3.842449     -7.276940      5.771449
  H      -2.577742     -8.451628      6.148158
  H      -4.126932     -8.507921      7.039947
  H      -1.299340     -5.428383      7.964813
  H      -1.011131     -6.418414      6.545650
  H      -0.309044     -4.228838      5.506806
  H      -0.766095     -3.336462      6.973353
  H      -1.466823     -2.874267      5.398478
  H      -4.294689     -4.546505      7.187013
  H      -2.968718     -3.823143      8.126757
  H      -3.626581     -2.975989      6.699050
  N      -4.902212     -2.949818      4.853152
84
Coordinates from ORCA-job orca E -5420.834547554771
  N      -3.698401     -3.185516      2.247711
  C      -3.686637     -3.974883      1.003108
  C      -2.983600     -5.309454      1.196539
  N      -3.603339     -6.027530      2.311641
  C      -4.823968     -6.762892      1.970112
  C      -5.804860     -6.638256      3.127810
  N      -6.044832     -5.219718      3.441532
  Mo     -4.376755     -4.175911      3.853937
  N      -2.904792     -5.073403      4.923587
  C      -1.953056     -5.847104      4.108052
  C      -2.662328     -6.779385      3.139603
  H      -1.302457     -6.469269      4.739636
  H      -1.276579     -5.173780      3.546842
  H      -3.232877     -7.520363      3.716187
  H      -1.925456     -7.333622      2.525126
  H      -6.735007     -7.156924      2.857562
  H      -5.409241     -7.171743      4.011184
  H      -5.270450     -6.301819      1.077322
  H      -4.607294     -7.822960      1.732909
  H      -3.172377     -3.436847      0.193691
  H      -4.720284     -4.147878      0.648493
  H      -1.931062     -5.118358      1.451057
  H      -3.002352     -5.908220      0.264554
  C      -1.265135      0.356982      0.370203
  C      -1.170709     -0.371622      1.493462
  C      -0.360072      0.102443      2.669143
  C      -1.824963     -1.729333      1.624016
  C      -3.339267     -1.752209      2.039436
  C      -4.234642     -1.125056      0.956792
  C      -3.515156     -0.927596      3.309347
  C      -6.662806     -6.576560      6.675447
  C      -7.322282     -5.513450      6.189323
  C      -7.360751     -4.212855      6.944902
  C      -8.069981     -5.620426      4.881686
  C      -7.475429     -4.876173      3.641867
  C      -8.299449     -5.309913      2.405198
  C      -7.664951     -3.358719      3.743725
  C      -3.158337     -6.910970      8.892996
  C      -2.801357     -6.876666      7.600266
  C      -3.374876     -7.832120      6.595459
  C      -1.790558     -5.880452      7.093176
  C      -2.328269     -4.670969      6.246877
  C      -1.136442     -3.718089      6.012633
  C      -3.362268     -3.953543      7.114080
  H      -0.790301      1.337003      0.285765
  H      -1.816931     -0.003325     -0.500326
  H      -0.957746      0.119642      3.593191
  H       0.053747      1.105837      2.499818
  H       0.477213     -0.590667      2.856240
  H      -1.293134     -2.319161      2.386882
  H      -1.714579     -2.262673      0.668429
  H      -3.992127     -0.061452      0.833401
  H      -5.286968     -1.209147      1.265824
  H      -4.120620     -1.609036     -0.022185
  H      -4.559318     -0.935302      3.642485
  H      -2.904971     -1.313490      4.136129
  H      -3.219503      0.109680      3.100320
  H      -6.636169     -7.524754      6.134035
  H      -6.118504     -6.528673      7.621843
  H      -8.383076     -3.804971      6.977234
  H      -6.720087     -3.458464      6.460646
  H      -7.000306     -4.343549      7.975103
  H      -8.153578     -6.686945      4.619475
  H      -9.101202     -5.248372      5.015427
  H      -8.381812     -6.399611      2.292705
  H      -7.853521     -4.892726      1.490132
  H      -9.322571     -4.917149      2.497800
  H      -8.734775     -3.135311      3.863591
  H      -7.114241     -2.914889      4.574605
  H      -7.312051     -2.879197      2.818178
  H      -3.889954     -7.633730      9.260961
  H      -2.733553     -6.215864      9.619839
  H      -3.839829     -7.266360      5.775459
  H      -2.577719     -8.446815      6.143936
  H      -4.121467     -8.499015      7.045013
  H      -1.284720     -5.424868      7.957261
  H      -1.003217     -6.413783      6.535680
  H      -0.304808     -4.218735      5.496234
  H      -0.756014     -3.335263      6.970387
  H      -1.464613     -2.865013      5.401538
  H      -4.283719     -4.544447      7.192678
  H      -2.953963     -3.817519      8.125670
  H      -3.619721     -2.973377      6.700726
  N      -4.897891     -2.947757      4.860842
84
Coordinates from ORCA-job orca E -5420.834600288533
  N      -3.696604     -3.184865      2.246748
  C      -3.684351     -3.975649      1.003033
  C      -2.981776     -5.309763      1.199324
  N      -3.602054     -6.026166      2.314849
  C      -4.823495     -6.760191      1.972775
  C      -5.805602     -6.635834      3.129465
  N      -6.044266     -5.217413      3.444996
  Mo     -4.375474     -4.172689      3.854594
  N      -2.903672     -5.069448      4.925243
  C      -1.952067     -5.845359      4.110779
  C      -2.662638     -6.778538      3.143852
  H      -1.303820     -6.468508      4.743916
  H      -1.272966     -5.174514      3.549644
  H      -3.234450     -7.518592      3.720161
  H      -1.925711     -7.333315      2.529522
  H      -6.736624     -7.152144      2.858169
  H      -5.411748     -7.171603      4.012439
  H      -5.268571     -6.298333      1.079706
  H      -4.607991     -7.820536      1.735513
  H      -3.169478     -3.438796      0.193268
  H      -4.717904     -4.148341      0.648197
  H      -1.929638     -5.118254      1.455295
  H      -2.999384     -5.910209      0.268337
  C      -1.264416      0.354033      0.362288
  C      -1.170344     -0.371041      1.487724
  C      -0.360657      0.106836      2.662194
  C      -1.823175     -1.729047      1.621638
  C      -3.338087     -1.752217      2.035381
  C      -4.232832     -1.128983      0.949078
  C      -3.517959     -0.924271      3.302891
  C      -6.677770     -6.598510      6.671348
  C      -7.327123     -5.527692      6.187984
  C      -7.356499     -4.230876      6.949474
  C      -8.072919     -5.622407      4.878586
  C      -7.474978     -4.871615      3.643894
  C      -8.297224     -5.296184      2.402907
  C      -7.662583     -3.355346      3.755962
  C      -3.156255     -6.911604      8.894338
  C      -2.801481     -6.874169      7.600981
  C      -3.378401     -7.827494      6.596390
  C      -1.790237     -5.878165      7.094889
  C      -2.327190     -4.667721      6.248983
  C      -1.136285     -3.715097      6.014227
  C      -3.360800     -3.951976      7.117511
  H      -0.790011      1.334070      0.275454
  H      -1.814684     -0.009524     -0.507898
  H      -0.957274      0.122888      3.586675
  H       0.049937      1.111407      2.491687
  H       0.478404     -0.583903      2.848819
  H      -1.291550     -2.316350      2.386835
  H      -1.711812     -2.265044      0.667723
  H      -3.991651     -0.065105      0.823587
  H      -5.285566     -1.213736      1.255993
  H      -4.116449     -1.614955     -0.029127
  H      -4.562650     -0.933204      3.633789
  H      -2.908352     -1.305648      4.132963
  H      -3.224027      0.112898      3.091269
  H      -6.658561     -7.544126      6.125379
  H      -6.138536     -6.560729      7.620493
  H      -8.372824     -3.806109      6.970389
  H      -6.697400     -3.483869      6.478422
  H      -7.012157     -4.373073      7.983571
  H      -8.160796     -6.686855      4.609919
  H      -9.102728     -5.247659      5.013950
  H      -8.372597     -6.385281      2.278331
  H      -7.852741     -4.866511      1.492694
  H      -9.322721     -4.910884      2.498659
  H      -8.732615     -3.131002      3.871301
  H      -7.114891     -2.918913      4.592664
  H      -7.303206     -2.869028      2.836321
  H      -3.886487     -7.636041      9.261894
  H      -2.729841     -6.218300      9.622153
  H      -3.843859     -7.260295      5.777483
  H      -2.582624     -8.442813      6.142663
  H      -4.125245     -8.494017      7.046146
  H      -1.285087     -5.422806      7.959422
  H      -1.002749     -6.411906      6.538094
  H      -0.305311     -4.214502      5.494882
  H      -0.754299     -3.333913      6.972273
  H      -1.466204     -2.860966      5.405105
  H      -4.283118     -4.541405      7.197144
  H      -2.950211     -3.817966      8.128552
  H      -3.618865     -2.971201      6.706213
  N      -4.895168     -2.943396      4.860816
84
Coordinates from ORCA-job orca E -5420.834665133550
  N      -3.699321     -3.182262      2.243618
  C      -3.689669     -3.977466      1.002416
  C      -2.984110     -5.309134      1.202760
  N      -3.600889     -6.022550      2.321751
  C      -4.823006     -6.757138      1.982820
  C      -5.805715     -6.631026      3.138675
  N      -6.043930     -5.212380      3.454330
  Mo     -4.375852     -4.162892      3.856429
  N      -2.901890     -5.055485      4.926972
  C      -1.949420     -5.833985      4.114381
  C      -2.660184     -6.772015      3.151716
  H      -1.302143     -6.454845      4.750718
  H      -1.269378     -5.165900      3.551267
  H      -3.230087     -7.512530      3.728837
  H      -1.921602     -7.324715      2.536753
  H      -6.737665     -7.145516      2.867872
  H      -5.413165     -7.167496      4.021800
  H      -5.267162     -6.297917      1.088022
  H      -4.608116     -7.818494      1.749092
  H      -3.178855     -3.442682      0.189065
  H      -4.724289     -4.152742      0.652160
  H      -1.932554     -5.114092      1.458256
  H      -3.001260     -5.914079      0.274648
  C      -1.253581      0.341289      0.344487
  C      -1.165004     -0.379109      1.473078
  C      -0.359054      0.101369      2.649135
  C      -1.820895     -1.734642      1.610706
  C      -3.335265     -1.751863      2.026902
  C      -4.228719     -1.127362      0.939909
  C      -3.511284     -0.919175      3.291609
  C      -6.710148     -6.658102      6.653781
  C      -7.337172     -5.569330      6.181016
  C      -7.342198     -4.282627      6.960089
  C      -8.081105     -5.632493      4.869088
  C      -7.475564     -4.863990      3.648717
  C      -8.290829     -5.266286      2.396026
  C      -7.660419     -3.350021      3.786721
  C      -3.155047     -6.905671      8.896863
  C      -2.804003     -6.862388      7.602738
  C      -3.385475     -7.811805      6.597475
  C      -1.792746     -5.865490      7.099522
  C      -2.327634     -4.654715      6.252168
  C      -1.138522     -3.701405      6.018422
  C      -3.362811     -3.939909      7.119555
  H      -0.777114      1.319807      0.256237
  H      -1.800583     -0.024785     -0.526792
  H      -0.955974      0.114026      3.573418
  H       0.047223      1.107567      2.479781
  H       0.482421     -0.587118      2.834894
  H      -1.289839     -2.321849      2.376412
  H      -1.714562     -2.273257      0.658104
  H      -3.983846     -0.064491      0.813729
  H      -5.281986     -1.208365      1.245888
  H      -4.114082     -1.613718     -0.038315
  H      -4.555663     -0.924075      3.623232
  H      -2.902365     -1.298607      4.122690
  H      -3.213499      0.116195      3.076104
  H      -6.706708     -7.596675      6.095384
  H      -6.180001     -6.643372      7.607942
  H      -8.340992     -3.818503      6.960888
  H      -6.643991     -3.553585      6.518496
  H      -7.032270     -4.452505      8.000312
  H      -8.180458     -6.690898      4.581686
  H      -9.107225     -5.250711      5.011446
  H      -8.346942     -6.352398      2.240049
  H      -7.851549     -4.804019      1.499630
  H      -9.322823     -4.901929      2.499326
  H      -8.731373     -3.124157      3.889773
  H      -7.122163     -2.931565      4.639029
  H      -7.285163     -2.847282      2.882058
  H      -3.883063     -7.632198      9.264612
  H      -2.726184     -6.214990      9.626029
  H      -3.851965     -7.241466      5.781292
  H      -2.591057     -8.426638      6.140292
  H      -4.131321     -8.479094      7.047293
  H      -1.291091     -5.409614      7.965610
  H      -1.003278     -6.399704      6.546225
  H      -0.308716     -4.196639      5.492967
  H      -0.754583     -3.324548      6.977614
  H      -1.471718     -2.844736      5.414580
  H      -4.285840     -4.527918      7.200536
  H      -2.950617     -3.805606      8.129921
  H      -3.621228     -2.959235      6.708206
  N      -4.894095     -2.932658      4.862253
84
Coordinates from ORCA-job orca E -5420.834692191270
  N      -3.703235     -3.180195      2.244973
  C      -3.696831     -3.976881      1.004606
  C      -2.987554     -5.306796      1.203740
  N      -3.599791     -6.020203      2.325242
  C      -4.821847     -6.756358      1.989978
  C      -5.803022     -6.629170      3.146958
  N      -6.042880     -5.210318      3.461314
  Mo     -4.375220     -4.158892      3.860428
  N      -2.897697     -5.049049      4.927654
  C      -1.944845     -5.825435      4.113225
  C      -2.655586     -6.767055      3.153794
  H      -1.293253     -6.442717      4.748779
  H      -1.268951     -5.155955      3.547087
  H      -3.222615     -7.508091      3.732878
  H      -1.916996     -7.318114      2.537384
  H      -6.734894     -7.145087      2.878274
  H      -5.408961     -7.163766      4.030304
  H      -5.267535     -6.299709      1.094700
  H      -4.606383     -7.818199      1.758674
  H      -3.191728     -3.441624      0.188071
  H      -4.732779     -4.155428      0.659685
  H      -1.935684     -5.109439      1.456124
  H      -3.006468     -5.912864      0.276357
  C      -1.249279      0.332113      0.335799
  C      -1.162811     -0.384782      1.466925
  C      -0.354396      0.096851      2.641008
  C      -1.821785     -1.738382      1.608448
  C      -3.335894     -1.751199      2.026555
  C      -4.228622     -1.124802      0.939777
  C      -3.509753     -0.917661      3.291237
  C      -6.731682     -6.680178      6.646986
  C      -7.349218     -5.585069      6.175982
  C      -7.348555     -4.302358      6.961585
  C      -8.088591     -5.636600      4.861458
  C      -7.475480     -4.861844      3.649080
  C      -8.282275     -5.256104      2.388827
  C      -7.661696     -3.348807      3.796970
  C      -3.149908     -6.902644      8.898211
  C      -2.802326     -6.857790      7.602981
  C      -3.389575     -7.804448      6.598161
  C      -1.789641     -5.862684      7.098986
  C      -2.323416     -4.650066      6.253382
  C      -1.134346     -3.696986      6.020705
  C      -3.358038     -3.935915      7.122333
  H      -0.769989      1.309138      0.244510
  H      -1.797324     -0.035203     -0.534399
  H      -0.949190      0.111514      3.566662
  H       0.052597      1.102481      2.469340
  H       0.486638     -0.592538      2.825593
  H      -1.290809     -2.325606      2.374614
  H      -1.718830     -2.279361      0.656456
  H      -3.980285     -0.062869      0.812173
  H      -5.281893     -1.201817      1.246543
  H      -4.116882     -1.612327     -0.038333
  H      -4.553823     -0.921921      3.623817
  H      -2.899662     -1.297270      4.121700
  H      -3.211343      0.117343      3.075511
  H      -6.731542     -7.616431      6.084871
  H      -6.206970     -6.673112      7.604348
  H      -8.342474     -3.828424      6.957768
  H      -6.641659     -3.576615      6.529943
  H      -7.048076     -4.481356      8.002606
  H      -8.192169     -6.692760      4.567200
  H      -9.113447     -5.251148      5.003260
  H      -8.324841     -6.340464      2.217074
  H      -7.845038     -4.776178      1.500652
  H      -9.318868     -4.905354      2.493531
  H      -8.733287     -3.123927      3.890175
  H      -7.132699     -2.937275      4.657958
  H      -7.276704     -2.837784      2.900942
  H      -3.878778     -7.627576      9.267530
  H      -2.717461     -6.213887      9.627278
  H      -3.855958     -7.232138      5.783299
  H      -2.598042     -8.421603      6.138738
  H      -4.136260     -8.469746      7.049650
  H      -1.285753     -5.408303      7.964736
  H      -1.002234     -6.398478      6.543959
  H      -0.306441     -4.190180      5.490584
  H      -0.747590     -3.324046      6.980273
  H      -1.468626     -2.837719      5.421299
  H      -4.281174     -4.523429      7.204056
  H      -2.944782     -3.802497      8.132454
  H      -3.616798     -2.954955      6.711817
  N      -4.893512     -2.927860      4.865385
84
Coordinates from ORCA-job orca E -5420.834733504690
  N      -3.712054     -3.175586      2.248752
  C      -3.713291     -3.974975      1.010119
  C      -2.995053     -5.301124      1.204485
  N      -3.596254     -6.015695      2.331377
  C      -4.817722     -6.756632      2.005230
  C      -5.794035     -6.626557      3.165985
  N      -6.038304     -5.207178      3.475939
  Mo     -4.373154     -4.151548      3.869684
  N      -2.888320     -5.037412      4.929617
  C      -1.934023     -5.806375      4.109909
  C      -2.643142     -6.755738      3.156353
  H      -1.270235     -6.414548      4.741716
  H      -1.269843     -5.131129      3.537027
  H      -3.203213     -7.498191      3.740192
  H      -1.904539     -7.303269      2.537131
  H      -6.725487     -7.147355      2.904511
  H      -5.394487     -7.154990      4.050091
  H      -5.268413     -6.306597      1.109224
  H      -4.600196     -7.819327      1.779465
  H      -3.221606     -3.437819      0.186670
  H      -4.752053     -4.161323      0.677247
  H      -1.942092     -5.098915      1.448217
  H      -3.018921     -5.908188      0.277784
  C      -1.246151      0.315491      0.316634
  C      -1.160850     -0.396120      1.451043
  C      -0.345465      0.086327      2.620250
  C      -1.826483     -1.745524      1.600009
  C      -3.337906     -1.749172      2.027700
  C      -4.232915     -1.116908      0.946440
  C      -3.499699     -0.915242      3.293986
  C      -6.776852     -6.723132      6.632971
  C      -7.373712     -5.615293      6.165438
  C      -7.362377     -4.341052      6.965231
  C      -8.102844     -5.643804      4.845208
  C      -7.472402     -4.859148      3.648946
  C      -8.259910     -5.238033      2.372771
  C      -7.660272     -3.348025      3.813872
  C      -3.148011     -6.894283      8.901088
  C      -2.804062     -6.848682      7.604737
  C      -3.401091     -7.789805      6.600071
  C      -1.786309     -5.859247      7.100124
  C      -2.314525     -4.642538      6.256642
  C      -1.122682     -3.692421      6.026989
  C      -3.347592     -3.926264      7.126213
  H      -0.762022      1.289646      0.219856
  H      -1.798788     -0.052797     -0.550170
  H      -0.935417      0.105851      3.549015
  H       0.064319      1.090021      2.443703
  H       0.494280     -0.605578      2.802267
  H      -1.293449     -2.334013      2.363708
  H      -1.733758     -2.289335      0.648468
  H      -3.976310     -0.057388      0.815003
  H      -5.284664     -1.184320      1.260476
  H      -4.132927     -1.606695     -0.031881
  H      -4.541424     -0.917443      3.634033
  H      -2.883700     -1.297286      4.119005
  H      -3.199618      0.119197      3.077552
  H      -6.782291     -7.654930      6.063440
  H      -6.262591     -6.731116      7.596290
  H      -8.348413     -3.851695      6.955479
  H      -6.641080     -3.619181      6.552010
  H      -7.077376     -4.537744      8.007298
  H      -8.215914     -6.695411      4.538557
  H      -9.124721     -5.249428      4.984667
  H      -8.274996     -6.317535      2.170793
  H      -7.826308     -4.724206      1.502301
  H      -9.305311     -4.914373      2.477705
  H      -8.733613     -3.124194      3.888084
  H      -7.149129     -2.948888      4.691472
  H      -7.257039     -2.823044      2.934577
  H      -3.881167     -7.613923      9.272161
  H      -2.709207     -6.209696      9.630269
  H      -3.865945     -7.213355      5.787387
  H      -2.615505     -8.411925      6.137249
  H      -4.150795     -8.450176      7.053642
  H      -1.277953     -5.408515      7.965264
  H      -1.003613     -6.399602      6.542603
  H      -0.299003     -4.184570      5.489936
  H      -0.730539     -3.326662      6.986999
  H      -1.455606     -2.827874      5.434743
  H      -4.271585     -4.512354      7.209256
  H      -2.934264     -3.793120      8.136439
  H      -3.605087     -2.945206      6.714926
  N      -4.892946     -2.920171      4.873529
84
Coordinates from ORCA-job orca E -5420.834756436608
  N      -3.713566     -3.173487      2.251576
  C      -3.718039     -3.973326      1.013411
  C      -2.996495     -5.298447      1.204381
  N      -3.593186     -6.013936      2.333200
  C      -4.814354     -6.757231      2.011154
  C      -5.787733     -6.625361      3.174227
  N      -6.034187     -5.205560      3.480911
  Mo     -4.370973     -4.149309      3.874444
  N      -2.885219     -5.036022      4.932448
  C      -1.929177     -5.798483      4.109150
  C      -2.636188     -6.750847      3.156951
  H      -1.257313     -6.401800      4.737409
  H      -1.272534     -5.118055      3.533459
  H      -3.193515     -7.493709      3.743098
  H      -1.897519     -7.297528      2.537347
  H      -6.718916     -7.149432      2.917828
  H      -5.384432     -7.149760      4.058927
  H      -5.267964     -6.310054      1.115140
  H      -4.595835     -7.820168      1.787588
  H      -3.232015     -3.434829      0.187364
  H      -4.757861     -4.162944      0.685198
  H      -1.942573     -5.095346      1.443307
  H      -3.023609     -5.904584      0.277139
  C      -1.253147      0.311495      0.303835
  C      -1.163563     -0.396388      1.440350
  C      -0.342520      0.089546      2.604254
  C      -1.829302     -1.745159      1.595687
  C      -3.338656     -1.747427      2.030287
  C      -4.238111     -1.112868      0.954321
  C      -3.493116     -0.915252      3.298692
  C      -6.792598     -6.733157      6.629617
  C      -7.379815     -5.620739      6.161593
  C      -7.361904     -4.347592      6.963163
  C      -8.106195     -5.643008      4.839642
  C      -7.468773     -4.858297      3.647363
  C      -8.247947     -5.235442      2.365765
  C      -7.658335     -3.347369      3.813601
  C      -3.153106     -6.894307      8.903229
  C      -2.809048     -6.850519      7.606813
  C      -3.409236     -7.789560      6.601983
  C      -1.787965     -5.864789      7.101637
  C      -2.312835     -4.644757      6.260767
  C      -1.118556     -3.696295      6.035298
  C      -3.346011     -3.928502      7.130031
  H      -0.768836      1.285117      0.201706
  H      -1.809929     -0.059354     -0.559316
  H      -0.928658      0.114461      3.535304
  H       0.068674      1.091612      2.421696
  H       0.496798     -0.602778      2.786234
  H      -1.292794     -2.332178      2.358115
  H      -1.740857     -2.291023      0.644755
  H      -3.979076     -0.054461      0.820179
  H      -5.287940     -1.176572      1.275239
  H      -4.146262     -1.603848     -0.024020
  H      -4.532938     -0.918133      3.644566
  H      -2.871855     -1.299036      4.119074
  H      -3.194390      0.119587      3.082679
  H      -6.802173     -7.665005      6.060178
  H      -6.279879     -6.745083      7.593850
  H      -8.347677     -3.857632      6.958642
  H      -6.641921     -3.625429      6.548735
  H      -7.072464     -4.546572      8.003430
  H      -8.224029     -6.693686      4.531186
  H      -9.126271     -5.243316      4.977686
  H      -8.252538     -6.313452      2.156196
  H      -7.815473     -4.711951      1.500705
  H      -9.296507     -4.921206      2.468996
  H      -8.732472     -3.124962      3.881074
  H      -7.154402     -2.949319      4.695868
  H      -7.250077     -2.819573      2.938643
  H      -3.889378     -7.610792      9.274295
  H      -2.712139     -6.211237      9.632438
  H      -3.872052     -7.211426      5.789286
  H      -2.626525     -8.414877      6.138818
  H      -4.162050     -8.446541      7.055411
  H      -1.275734     -5.417239      7.966185
  H      -1.008887     -6.407463      6.541236
  H      -0.295637     -4.189189      5.497978
  H      -0.725953     -3.333572      6.996114
  H      -1.448451     -2.829281      5.444961
  H      -4.270172     -4.514862      7.211315
  H      -2.934919     -3.796966      8.141348
  H      -3.602600     -2.946975      6.719302
  N      -4.891639     -2.917554      4.877525
84
Coordinates from ORCA-job orca E -5420.834777149374
  N      -3.709986     -3.172109      2.253867
  C      -3.716840     -3.972356      1.016271
  C      -2.994495     -5.297506      1.205290
  N      -3.589019     -6.013089      2.335017
  C      -4.810349     -6.757520      2.015815
  C      -5.781308     -6.623513      3.180730
  N      -6.028384     -5.203221      3.484211
  Mo     -4.367042     -4.147331      3.878184
  N      -2.883872     -5.037536      4.937310
  C      -1.925833     -5.794254      4.111472
  C      -2.630438     -6.747926      3.158929
  H      -1.248085     -6.394587      4.736502
  H      -1.274497     -5.109285      3.534731
  H      -3.186588     -7.490844      3.746349
  H      -1.891405     -7.294905      2.540232
  H      -6.712634     -7.149843      2.929462
  H      -5.374970     -7.144585      4.066030
  H      -5.265935     -6.311792      1.120003
  H      -4.591860     -7.820601      1.793348
  H      -3.233235     -3.433635      0.188877
  H      -4.757129     -4.163021      0.690101
  H      -1.939704     -5.095035      1.440904
  H      -3.024130     -5.902441      0.277371
  C      -1.267123      0.311980      0.286162
  C      -1.168951     -0.391226      1.424746
  C      -0.343004      0.101914      2.581932
  C      -1.830884     -1.740987      1.588543
  C      -3.337553     -1.745426      2.031586
  C      -4.244765     -1.111471      0.962058
  C      -3.483796     -0.914578      3.301781
  C      -6.801815     -6.740048      6.626803
  C      -7.380144     -5.623098      6.159589
  C      -7.354941     -4.350883      6.962481
  C      -8.105669     -5.639900      4.836403
  C      -7.462995     -4.855778      3.646486
  C      -8.236987     -5.231515      2.361301
  C      -7.652721     -3.344979      3.812514
  C      -3.164896     -6.899355      8.905310
  C      -2.818417     -6.856719      7.609648
  C      -3.419608     -7.792596      6.602782
  C      -1.793583     -5.874014      7.106012
  C      -2.314432     -4.650505      6.267654
  C      -1.117331     -3.703634      6.048382
  C      -3.349020     -3.935024      7.135235
  H      -0.785963      1.286298      0.177115
  H      -1.828287     -0.063732     -0.571901
  H      -0.925709      0.133455      3.514877
  H       0.067879      1.102455      2.391002
  H       0.497163     -0.588675      2.766120
  H      -1.288865     -2.324002      2.349880
  H      -1.745388     -2.289467      0.639141
  H      -3.986387     -0.053485      0.824018
  H      -5.291848     -1.174154      1.292070
  H      -4.161367     -1.604360     -0.015971
  H      -4.521107     -0.918404      3.655074
  H      -2.856241     -1.299067      4.117033
  H      -3.187622      0.120816      3.084640
  H      -6.817099     -7.671758      6.057099
  H      -6.288873     -6.756433      7.590892
  H      -8.341763     -3.862599      6.966495
  H      -6.638196     -3.627926      6.543459
  H      -7.057148     -4.550738      8.000402
  H      -8.228117     -6.689719      4.526776
  H      -9.123750     -5.235085      4.973971
  H      -8.234458     -6.308365      2.146875
  H      -7.805561     -4.701780      1.499835
  H      -9.287556     -4.923391      2.463326
  H      -8.727640     -3.123158      3.875153
  H      -7.154038     -2.947289      4.698150
  H      -7.240802     -2.816459      2.939988
  H      -3.904395     -7.613878      9.273748
  H      -2.723304     -6.218396      9.635903
  H      -3.879774     -7.211590      5.790395
  H      -2.639072     -8.420034      6.139240
  H      -4.176195     -8.447051      7.053552
  H      -1.278934     -5.430120      7.970926
  H      -1.017083     -6.418056      6.543605
  H      -0.293110     -4.198455      5.514837
  H      -0.727633     -3.342459      7.010838
  H      -1.442369     -2.835198      5.457272
  H      -4.273324     -4.521953      7.212731
  H      -2.941786     -3.805868      8.148356
  H      -3.604231     -2.952761      6.725606
  N      -4.887694     -2.914757      4.880257
84
Coordinates from ORCA-job orca E -5420.834790487717
  N      -3.703558     -3.171457      2.255835
  C      -3.711848     -3.972277      1.018788
  C      -2.990457     -5.297893      1.207926
  N      -3.585007     -6.012989      2.337607
  C      -4.807053     -6.756724      2.019372
  C      -5.777017     -6.621228      3.184912
  N      -6.022968     -5.200581      3.487094
  Mo     -4.362161     -4.145376      3.881057
  N      -2.882632     -5.039336      4.942345
  C      -1.923600     -5.794222      4.115998
  C      -2.627152     -6.747493      3.162394
  H      -1.244826     -6.394598      4.739998
  H      -1.272924     -5.107844      3.539922
  H      -3.183539     -7.490451      3.749632
  H      -1.887646     -7.295055      2.544740
  H      -6.708970     -7.147549      2.936150
  H      -5.369957     -7.141464      4.070433
  H      -5.262866     -6.310634      1.123790
  H      -4.589720     -7.819955      1.796740
  H      -3.227927     -3.434480      0.190976
  H      -4.752276     -4.162173      0.692779
  H      -1.935340     -5.096372      1.442936
  H      -3.020784     -5.902295      0.279682
  C      -1.282180      0.313710      0.267399
  C      -1.174962     -0.383693      1.408709
  C      -0.345617      0.118805      2.559189
  C      -1.830876     -1.735332      1.581846
  C      -3.335461     -1.743810      2.031593
  C      -4.250216     -1.113068      0.966676
  C      -3.476712     -0.913205      3.302389
  C      -6.809566     -6.749097      6.623258
  C      -7.379283     -5.627056      6.157986
  C      -7.346526     -4.356534      6.963101
  C      -8.104230     -5.637098      4.833734
  C      -7.457442     -4.851690      3.646768
  C      -8.228514     -5.224048      2.358712
  C      -7.645951     -3.341150      3.814786
  C      -3.176412     -6.906023      8.907169
  C      -2.827863     -6.862762      7.612207
  C      -3.430511     -7.794419      6.602664
  C      -1.799330     -5.882396      7.111292
  C      -2.316033     -4.655942      6.274643
  C      -1.116437     -3.710834      6.060794
  C      -3.351799     -3.940821      7.140649
  H      -0.805475      1.289276      0.150703
  H      -1.846390     -0.068595     -0.585723
  H      -0.925217      0.155989      3.493744
  H       0.062701      1.118652      2.359660
  H       0.496574     -0.568388      2.745865
  H      -1.283395     -2.312719      2.343485
  H      -1.746561     -2.287477      0.634665
  H      -3.995384     -0.054718      0.825742
  H      -5.295043     -1.178003      1.303286
  H      -4.171466     -1.607323     -0.010943
  H      -4.512053     -0.918394      3.661211
  H      -2.844248     -1.296654      4.114355
  H      -3.183673      0.122621      3.083250
  H      -6.831311     -7.679551      6.051652
  H      -6.297730     -6.771605      7.587750
  H      -8.332674     -3.866587      6.972913
  H      -6.629556     -3.634975      6.541713
  H      -7.044326     -4.558710      7.999440
  H      -8.230659     -6.685541      4.521282
  H      -9.120583     -5.228313      4.971751
  H      -8.221194     -6.299762      2.139130
  H      -7.797865     -4.688608      1.500510
  H      -9.280370     -4.920397      2.460337
  H      -8.721195     -3.118581      3.872361
  H      -7.151888     -2.945639      4.704116
  H      -7.229120     -2.811695      2.945248
  H      -3.918471     -7.619572      9.272381
  H      -2.733953     -6.227851      9.639735
  H      -3.888228     -7.209890      5.791180
  H      -2.651859     -8.423396      6.138216
  H      -4.190342     -8.447183      7.050403
  H      -1.283834     -5.441850      7.977326
  H      -1.024288     -6.427480      6.548142
  H      -0.290267     -4.207654      5.531921
  H      -0.730818     -3.350400      7.025192
  H      -1.436894     -2.841809      5.467877
  H      -4.276717     -4.527265      7.214973
  H      -2.947123     -3.813873      8.155067
  H      -3.605212     -2.957675      6.732175
  N      -4.881767     -2.911872      4.882435
84
Coordinates from ORCA-job orca E -5420.834803112579
  N      -3.694637     -3.171220      2.258900
  C      -3.705067     -3.972155      1.022018
  C      -2.984739     -5.298170      1.211146
  N      -3.579425     -6.013365      2.340247
  C      -4.802179     -6.755958      2.022225
  C      -5.771974     -6.619471      3.187722
  N      -6.016498     -5.198501      3.489211
  Mo     -4.355715     -4.143995      3.884392
  N      -2.880743     -5.042390      4.948050
  C      -1.920334     -5.795336      4.121187
  C      -2.622594     -6.747802      3.165804
  H      -1.241884     -6.396661      4.744623
  H      -1.269252     -5.107785      3.546923
  H      -3.178871     -7.491849      3.751688
  H      -1.881911     -7.294725      2.548794
  H      -6.704544     -7.145103      2.940197
  H      -5.365141     -7.139727      4.073334
  H      -5.257452     -6.308858      1.126836
  H      -4.586141     -7.819294      1.798899
  H      -3.220647     -3.435425      0.193834
  H      -4.745774     -4.160708      0.696391
  H      -1.929561     -5.097333      1.446501
  H      -3.015113     -5.901986      0.282502
  C      -1.302390      0.317597      0.246328
  C      -1.183227     -0.373554      1.390165
  C      -0.349778      0.139776      2.532662
  C      -1.830861     -1.727782      1.573858
  C      -3.332788     -1.742148      2.032301
  C      -4.257352     -1.115735      0.973283
  C      -3.468152     -0.912007      3.303993
  C      -6.814522     -6.750851      6.622977
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  C      -8.100900     -5.631980      4.832270
  C      -7.450912     -4.847405      3.646341
  C      -8.220754     -5.219086      2.357173
  C      -7.637445     -3.336528      3.812838
  C      -3.189119     -6.918304      8.908535
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  C      -3.443276     -7.798772      6.601159
  C      -1.806109     -5.894281      7.117469
  C      -2.317912     -4.664108      6.283141
  C      -1.115802     -3.720621      6.076512
  C      -3.355433     -3.950144      7.147706
  H      -0.831909      1.294971      0.121010
  H      -1.870437     -0.072203     -0.600767
  H      -0.925675      0.183550      3.469117
  H       0.055260      1.138781      2.323022
  H       0.494809     -0.543570      2.721963
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  H      -1.748319     -2.283633      0.628969
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  H      -2.829429     -1.293963      4.111911
  H      -3.179251      0.124462      3.082414
  H      -6.841324     -7.680515      6.050392
  H      -6.305039     -6.777608      7.588390
  H      -8.327358     -3.867934      6.980943
  H      -6.627078     -3.632903      6.535824
  H      -7.029242     -4.557269      7.997232
  H      -8.229994     -6.679613      4.518827
  H      -9.116086     -5.220337      4.969816
  H      -8.211278     -6.294448      2.136125
  H      -7.790269     -4.681815      1.500065
  H      -9.273160     -4.917446      2.457903
  H      -8.712636     -3.112123      3.865600
  H      -7.146591     -2.941075      4.704075
  H      -7.215943     -2.809153      2.944228
  H      -3.933731     -7.631200      9.269827
  H      -2.745370     -6.243901      9.643775
  H      -3.897682     -7.209887      5.790753
  H      -2.666558     -8.429532      6.135946
  H      -4.206707     -8.449770      7.045284
  H      -1.290306     -5.457957      7.985361
  H      -1.032416     -6.440234      6.553604
  H      -0.286540     -4.218907      5.553599
  H      -0.736436     -3.361223      7.043883
  H      -1.431054     -2.851108      5.481460
  H      -4.281348     -4.535470      7.217540
  H      -2.953397     -3.826684      8.163615
  H      -3.606213     -2.965441      6.741442
  N      -4.874827     -2.909878      4.885082
84
Coordinates from ORCA-job orca E -5420.834811711832
  N      -3.685846     -3.170874      2.261837
  C      -3.699056     -3.972612      1.025373
  C      -2.979387     -5.298702      1.215229
  N      -3.574149     -6.013371      2.344475
  C      -4.797784     -6.754527      2.026993
  C      -5.767724     -6.616553      3.192136
  N      -6.010419     -5.195330      3.493568
  Mo     -4.348777     -4.141328      3.887987
  N      -2.878206     -5.043428      4.953625
  C      -1.916675     -5.795818      4.127153
  C      -2.617960     -6.747830      3.170476
  H      -1.239605     -6.397839      4.751310
  H      -1.264582     -5.108032      3.554520
  H      -3.173722     -7.493303      3.754853
  H      -1.875993     -7.293230      2.553505
  H      -6.701038     -7.140717      2.944423
  H      -5.362184     -7.137313      4.077923
  H      -5.252142     -6.306952      1.131401
  H      -4.583206     -7.818198      1.803742
  H      -3.214865     -3.437339      0.196145
  H      -4.740316     -4.160101      0.701096
  H      -1.924408     -5.097620      1.451234
  H      -3.009395     -5.903183      0.286990
  C      -1.320912      0.319735      0.223768
  C      -1.190910     -0.364536      1.370556
  C      -0.352999      0.159382      2.504928
  C      -1.830657     -1.720983      1.565043
  C      -3.330057     -1.740599      2.031965
  C      -4.263595     -1.118986      0.977984
  C      -3.460262     -0.910101      3.303960
  C      -6.826072     -6.762820      6.618740
  C      -7.377999     -5.631173      6.155265
  C      -7.332191     -4.363949      6.964134
  C      -8.099740     -5.628679      4.828601
  C      -7.444805     -4.841737      3.647026
  C      -8.211209     -5.208531      2.354434
  C      -7.629228     -3.330920      3.816671
  C      -3.199881     -6.928985      8.910642
  C      -2.848957     -6.879710      7.616623
  C      -3.457119     -7.799745      6.600038
  C      -1.812426     -5.903367      7.123977
  C      -2.319119     -4.669871      6.291456
  C      -1.114598     -3.728023      6.091406
  C      -3.357994     -3.956355      7.154863
  H      -0.856150      1.298682      0.089673
  H      -1.892496     -0.077620     -0.617394
  H      -0.924361      0.208540      3.443816
  H       0.047827      1.158010      2.285714
  H       0.494505     -0.519974      2.695079
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  H      -4.019873     -0.058720      0.831943
  H      -5.303282     -1.192668      1.328504
  H      -4.193087     -1.615115      0.000597
  H      -4.490644     -0.919361      3.676302
  H      -2.815302     -1.289855      4.108146
  H      -3.175598      0.126890      3.079658
  H      -6.859571     -7.690116      6.042820
  H      -6.320038     -6.796986      7.585544
  H      -8.316996     -3.870940      6.985579
  H      -6.616335     -3.644396      6.536666
  H      -7.020306     -4.570322      7.997109
  H      -8.233406     -6.674163      4.510136
  H      -9.113340     -5.213307      4.966877
  H      -8.198147     -6.282647      2.127404
  H      -7.780497     -4.665343      1.501103
  H      -9.264723     -4.910752      2.454405
  H      -8.704243     -3.104295      3.862189
  H      -7.143831     -2.938645      4.712229
  H      -7.200253     -2.802697      2.952094
  H      -3.947017     -7.640650      9.269123
  H      -2.753505     -6.258970      9.648360
  H      -3.908401     -7.206311      5.791172
  H      -2.682592     -8.432395      6.133659
  H      -4.223451     -8.449049      7.041589
  H      -1.296779     -5.470878      7.993856
  H      -1.039746     -6.450632      6.560052
  H      -0.283041     -4.226956      5.572627
  H      -0.740423     -3.370372      7.061555
  H      -1.425513     -2.857607      5.495436
  H      -4.285108     -4.540033      7.221097
  H      -2.957740     -3.835835      8.171811
  H      -3.605808     -2.970171      6.750382
  N      -4.867038     -2.906154      4.887781
84
Coordinates from ORCA-job orca E -5420.834818289522
  N      -3.679769     -3.171624      2.264198
  C      -3.694568     -3.973033      1.027300
  C      -2.975078     -5.299109      1.216988
  N      -3.570222     -6.014415      2.345714
  C      -4.794079     -6.754613      2.027521
  C      -5.765163     -6.616390      3.191707
  N      -6.006973     -5.195145      3.493683
  Mo     -4.344356     -4.141720      3.889503
  N      -2.876696     -5.046159      4.955958
  C      -1.914042     -5.797917      4.129860
  C      -2.614270     -6.749303      3.171616
  H      -1.238610     -6.400751      4.754961
  H      -1.260900     -5.109911      3.559005
  H      -3.169572     -7.496509      3.754058
  H      -1.870983     -7.292485      2.554160
  H      -6.698605     -7.139407      2.942027
  H      -5.361297     -7.138033      4.077604
  H      -5.247332     -6.306678      1.131584
  H      -4.579987     -7.818430      1.804265
  H      -3.210644     -3.438073      0.197702
  H      -4.736214     -4.159802      0.703866
  H      -1.920466     -5.097478      1.454214
  H      -3.004174     -5.903709      0.288782
  C      -1.334499      0.324789      0.214538
  C      -1.197016     -0.357614      1.361591
  C      -0.356030      0.170619      2.491766
  C      -1.831173     -1.716019      1.560174
  C      -3.328807     -1.740196      2.033061
  C      -4.268615     -1.121177      0.983169
  C      -3.455673     -0.910497      3.306016
  C      -6.825774     -6.755111      6.622613
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  C      -7.331540     -4.355523      6.962699
  C      -8.096707     -5.623876      4.829250
  C      -7.441312     -4.839940      3.646006
  C      -8.208481     -5.209556      2.354679
  C      -7.624286     -3.328190      3.811131
  C      -3.205043     -6.939946      8.910807
  C      -2.854220     -6.887385      7.616803
  C      -3.463902     -7.804327      6.598113
  C      -1.816161     -5.911220      7.127087
  C      -2.320210     -4.675806      6.295763
  C      -1.114730     -3.734311      6.100219
  C      -3.360462     -3.963253      7.158620
  H      -0.873937      1.305261      0.077031
  H      -1.908521     -0.075509     -0.623542
  H      -0.924482      0.221514      3.432294
  H       0.042272      1.169285      2.268417
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  H      -1.264536     -2.278012      2.319382
  H      -1.752970     -2.276507      0.617783
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  H      -2.805904     -1.289050      4.107045
  H      -3.174357      0.127211      3.080868
  H      -6.859242     -7.683022      6.047860
  H      -6.321157     -6.787757      7.590088
  H      -8.318035     -3.865951      6.987799
  H      -6.620601     -3.634024      6.530223
  H      -7.013788     -4.559013      7.994503
  H      -8.230305     -6.669766      4.512371
  H      -9.110559     -5.208570      4.966233
  H      -8.199341     -6.284711      2.132181
  H      -7.775759     -4.671480      1.499044
  H      -9.261025     -4.907943      2.453217
  H      -8.698876     -3.099656      3.855487
  H      -7.138210     -2.933294      4.705193
  H      -7.194305     -2.803755      2.944506
  H      -3.953106     -7.651243      9.268039
  H      -2.757336     -6.272336      9.650009
  H      -3.913169     -7.208737      5.789770
  H      -2.689974     -8.437803      6.131730
  H      -4.231403     -8.452998      7.038477
  H      -1.301336     -5.480622      7.998424
  H      -1.043428     -6.458746      6.563383
  H      -0.281470     -4.232716      5.583648
  H      -0.744138     -3.377830      7.072242
  H      -1.423537     -2.863356      5.504061
  H      -4.288337     -4.545884      7.221963
  H      -2.961459     -3.845046      8.176330
  H      -3.606255     -2.975877      6.755648
  N      -4.863372     -2.906711      4.889131
84
Coordinates from ORCA-job orca E -5420.834823248285
  N      -3.677678     -3.171880      2.265085
  C      -3.693926     -3.973797      1.028314
  C      -2.973697     -5.299462      1.218092
  N      -3.568370     -6.014616      2.347432
  C      -4.792281     -6.754722      2.029758
  C      -5.763830     -6.615651      3.193527
  N      -6.005312     -5.194429      3.495541
  Mo     -4.342024     -4.140987      3.890546
  N      -2.875276     -5.045868      4.956755
  C      -1.912028     -5.797519      4.131189
  C      -2.611606     -6.749339      3.172829
  H      -1.236907     -6.399686      4.757159
  H      -1.259121     -5.109400      3.560438
  H      -3.166196     -7.497425      3.754711
  H      -1.867773     -7.290880      2.554681
  H      -6.697288     -7.138131      2.942597
  H      -5.360941     -7.137339      4.079722
  H      -5.245259     -6.307833      1.133210
  H      -4.578227     -7.818838      1.807773
  H      -3.211502     -3.438972      0.197758
  H      -4.736022     -4.160982      0.706525
  H      -1.919317     -5.096721      1.455342
  H      -3.002450     -5.904923      0.290465
  C      -1.340007      0.326982      0.210054
  C      -1.199463     -0.355582      1.356617
  C      -0.356130      0.172900      2.485015
  C      -1.831915     -1.714646      1.556097
  C      -3.328468     -1.740135      2.032716
  C      -4.271120     -1.121993      0.984970
  C      -3.452834     -0.910437      3.306031
  C      -6.830924     -6.758025      6.621807
  C      -7.378715     -5.625685      6.155193
  C      -7.332406     -4.357919      6.962909
  C      -8.097148     -5.622794      4.827599
  C      -7.439614     -4.838404      3.645974
  C      -8.204797     -5.206609      2.353241
  C      -7.622105     -3.326578      3.812061
  C      -3.206173     -6.943612      8.911380
  C      -2.856381     -6.888861      7.617105
  C      -3.467815     -7.804158      6.597620
  C      -1.817558     -5.912952      7.128657
  C      -2.320026     -4.676793      6.297540
  C      -1.113989     -3.735625      6.103737
  C      -3.360572     -3.964183      7.160240
  H      -0.880892      1.308104      0.071931
  H      -1.915595     -0.073485     -0.626804
  H      -0.922184      0.222539      3.427085
  H       0.040511      1.172169      2.261264
  H       0.494306     -0.503950      2.671294
  H      -1.262778     -2.276667      2.313423
  H      -1.755899     -2.274568      0.613167
  H      -4.033524     -0.060254      0.838578
  H      -5.308441     -1.201420      1.341428
  H      -4.203596     -1.616818      0.006502
  H      -4.480406     -0.923050      3.686026
  H      -2.800167     -1.288335      4.105056
  H      -3.172944      0.127562      3.080339
  H      -6.864888     -7.685378      6.046197
  H      -6.327619     -6.791804      7.589998
  H      -8.317422     -3.865454      6.986381
  H      -6.619240     -3.637420      6.532542
  H      -7.017033     -4.563311      7.994995
  H      -8.231957     -6.668118      4.509085
  H      -9.110842     -5.206749      4.964111
  H      -8.196558     -6.281695      2.130089
  H      -7.770201     -4.668466      1.498516
  H      -9.257264     -4.904080      2.450607
  H      -8.696547     -3.097158      3.854297
  H      -7.137453     -2.932550      4.707198
  H      -7.189997     -2.801460      2.946767
  H      -3.954743     -7.654201      9.268878
  H      -2.757005     -6.277507      9.651132
  H      -3.916486     -7.207458      5.789870
  H      -2.694510     -8.438020      6.130672
  H      -4.235420     -8.452465      7.038247
  H      -1.303375     -5.482799      8.000644
  H      -1.044539     -6.460955      6.565633
  H      -0.281056     -4.233250      5.586047
  H      -0.743262     -3.380681      7.076243
  H      -1.422452     -2.863590      5.509033
  H      -4.288891     -4.546136      7.222912
  H      -2.961886     -3.846744      8.178169
  H      -3.605338     -2.976381      6.757598
  N      -4.861237     -2.905862      4.890039
84
Coordinates from ORCA-job orca E -5420.834828295213
  N      -3.675556     -3.172489      2.265658
  C      -3.692486     -3.974798      1.028983
  C      -2.971751     -5.300200      1.218960
  N      -3.566553     -6.015097      2.348732
  C      -4.790446     -6.755159      2.031065
  C      -5.762771     -6.615192      3.194191
  N      -6.003848     -5.194002      3.496224
  Mo     -4.340084     -4.140963      3.891000
  N      -2.874502     -5.046572      4.957232
  C      -1.910473     -5.797978      4.132468
  C      -2.609213     -6.750032      3.173738
  H      -1.235347     -6.399306      4.759186
  H      -1.257980     -5.109520      3.561688
  H      -3.163698     -7.498548      3.755180
  H      -1.865091     -7.290454      2.555129
  H      -6.696188     -7.137176      2.941805
  H      -5.360946     -7.136988      4.080757
  H      -5.243032     -6.309456      1.133732
  H      -4.576344     -7.819584      1.810564
  H      -3.211219     -3.439838      0.197815
  H      -4.734840     -4.162475      0.708181
  H      -1.917530     -5.096679      1.456302
  H      -3.000104     -5.906294      0.291762
  C      -1.346430      0.331281      0.207974
  C      -1.202279     -0.352968      1.353124
  C      -0.356045      0.174340      2.479979
  C      -1.832866     -1.713087      1.552019
  C      -3.328234     -1.740370      2.032427
  C      -4.273861     -1.123094      0.987030
  C      -3.450254     -0.911007      3.306253
  C      -6.832605     -6.756398      6.622394
  C      -7.379739     -5.624186      6.154795
  C      -7.333574     -4.356212      6.962380
  C      -8.096791     -5.621024      4.826816
  C      -7.437961     -4.837296      3.645552
  C      -8.202069     -5.205498      2.352266
  C      -7.620099     -3.325322      3.811424
  C      -3.207311     -6.947542      8.911788
  C      -2.858154     -6.891131      7.617359
  C      -3.470298     -7.805648      6.597295
  C      -1.819107     -5.915062      7.129930
  C      -2.320560     -4.678405      6.298971
  C      -1.114224     -3.737284      6.106704
  C      -3.361645     -3.966047      7.161338
  H      -0.888872      1.313313      0.070363
  H      -1.923844     -0.068397     -0.628041
  H      -0.918838      0.220543      3.424183
  H       0.038170      1.174878      2.257428
  H       0.496203     -0.501541      2.661351
  H      -1.261065     -2.275874      2.306809
  H      -1.758865     -2.271363      0.607838
  H      -4.037999     -0.060961      0.840459
  H      -5.310275     -1.204018      1.345843
  H      -4.207824     -1.617298      0.008097
  H      -4.476803     -0.924882      3.689021
  H      -2.794717     -1.288414      4.103183
  H      -3.171881      0.127367      3.080414
  H      -6.865994     -7.684088      6.047251
  H      -6.329439     -6.789343      7.590822
  H      -8.317927     -3.862478      6.983665
  H      -6.619218     -3.636082      6.533557
  H      -7.020302     -4.561791      7.994973
  H      -8.231850     -6.666418      4.508285
  H      -9.110610     -5.204802      4.962356
  H      -8.197225     -6.281124      2.131286
  H      -7.764468     -4.670484      1.497044
  H      -9.253702     -4.899195      2.447947
  H      -8.694442     -3.095374      3.853732
  H      -7.135172     -2.931213      4.706394
  H      -7.188091     -2.799983      2.946176
  H      -3.956046     -7.657772      9.269611
  H      -2.757513     -6.282287      9.651979
  H      -3.918953     -7.208442      5.789971
  H      -2.697169     -8.439314      6.129764
  H      -4.237664     -8.453994      7.038213
  H      -1.305775     -5.484840      8.002439
  H      -1.045354     -6.463075      6.567739
  H      -0.282085     -4.233969      5.586989
  H      -0.742279     -3.384136      7.079329
  H      -1.422805     -2.863833      5.514131
  H      -4.290123     -4.547881      7.223268
  H      -2.963802     -3.849276      8.179683
  H      -3.605926     -2.978001      6.758947
  N      -4.859372     -2.905776      4.890529
84
Coordinates from ORCA-job orca E -5420.834833517020
  N      -3.672562     -3.172925      2.266670
  C      -3.690841     -3.975972      1.030410
  C      -2.969163     -5.300879      1.220480
  N      -3.563485     -6.015403      2.350942
  C      -4.787275     -6.755828      2.033725
  C      -5.760300     -6.614468      3.196219
  N      -6.001003     -5.193187      3.497494
  Mo     -4.337202     -4.140498      3.892299
  N      -2.872983     -5.047307      4.958625
  C      -1.907753     -5.797655      4.134482
  C      -2.605307     -6.750252      3.175481
  H      -1.231700     -6.397618      4.761474
  H      -1.256408     -5.108297      3.563394
  H      -3.159546     -7.499064      3.756809
  H      -1.861013     -7.289775      2.556472
  H      -6.693668     -7.136256      2.943107
  H      -5.359264     -7.135874      4.083350
  H      -5.239603     -6.311877      1.135389
  H      -4.573048     -7.820634      1.815277
  H      -3.211532     -3.440930      0.198186
  H      -4.733562     -4.164594      0.711296
  H      -1.914984     -5.096497      1.457272
  H      -2.997446     -5.907510      0.293667
  C      -1.357198      0.337498      0.203341
  C      -1.206635     -0.349195      1.346196
  C      -0.355632      0.176663      2.470108
  C      -1.834476     -1.710746      1.544911
  C      -3.327642     -1.740393      2.032020
  C      -4.278610     -1.124247      0.991004
  C      -3.444690     -0.911544      3.306665
  C      -6.835951     -6.754816      6.622831
  C      -7.381510     -5.622389      6.154035
  C      -7.335728     -4.354330      6.961701
  C      -8.096323     -5.618659      4.824996
  C      -7.434935     -4.835583      3.644692
  C      -8.197021     -5.203511      2.350131
  C      -7.616628     -3.323622      3.810505
  C      -3.210584     -6.953041      8.912201
  C      -2.861535     -6.894821      7.617820
  C      -3.474540     -7.807644      6.596618
  C      -1.821559     -5.918986      7.132090
  C      -2.321145     -4.681015      6.301931
  C      -1.114143     -3.740219      6.112621
  C      -3.363130     -3.969378      7.163700
  H      -0.902040      1.320729      0.066023
  H      -1.937914     -0.061143     -0.630853
  H      -0.913198      0.218064      3.417682
  H       0.034841      1.178998      2.248827
  H       0.499493     -0.497567      2.644276
  H      -1.258369     -2.274462      2.295695
  H      -1.763893     -2.266620      0.599057
  H      -4.044832     -0.061769      0.843247
  H      -5.313202     -1.206492      1.354836
  H      -4.216482     -1.618299      0.011681
  H      -4.469467     -0.926385      3.694122
  H      -2.784999     -1.288843      4.100200
  H      -3.167920      0.127170      3.080266
  H      -6.868982     -7.682918      6.048197
  H      -6.333787     -6.787488      7.591939
  H      -8.319609     -3.859620      6.980336
  H      -6.619825     -3.634502      6.535102
  H      -7.025296     -4.560145      7.995049
  H      -8.231588     -6.664122      4.506503
  H      -9.110147     -5.201813      4.958680
  H      -8.195263     -6.279643      2.131278
  H      -7.755600     -4.671561      1.494895
  H      -9.247828     -4.893301      2.443195
  H      -8.690974     -3.093257      3.852551
  H      -7.131916     -2.929800      4.705760
  H      -7.184407     -2.797753      2.945702
  H      -3.959887     -7.662922      9.269511
  H      -2.760249     -6.289229      9.653385
  H      -3.923265     -7.209259      5.790169
  H      -2.702008     -8.441026      6.127764
  H      -4.242111     -8.455942      7.037188
  H      -1.308975     -5.489484      8.005425
  H      -1.047247     -6.466976      6.570562
  H      -0.282954     -4.235879      5.590534
  H      -0.740788     -3.390147      7.085732
  H      -1.422250     -2.864440      5.523191
  H      -4.291754     -4.551217      7.224151
  H      -2.966885     -3.853943      8.182848
  H      -3.606902     -2.980934      6.762019
  N      -4.856287     -2.905156      4.891837
84
Coordinates from ORCA-job orca E -5420.834840231264
  N      -3.667981     -3.173476      2.267504
  C      -3.687271     -3.977568      1.031926
  C      -2.964998     -5.302011      1.222779
  N      -3.559554     -6.015827      2.353663
  C      -4.783359     -6.756293      2.036173
  C      -5.757596     -6.613364      3.197542
  N      -5.997323     -5.191892      3.498209
  Mo     -4.333611     -4.139895      3.893486
  N      -2.871745     -5.048830      4.960836
  C      -1.905029     -5.798255      4.137797
  C      -2.601385     -6.751056      3.178193
  H      -1.228323     -6.397105      4.765130
  H      -1.254322     -5.108145      3.566673
  H      -3.156036     -7.499730      3.759394
  H      -1.857086     -7.290475      2.559212
  H      -6.691089     -7.134457      2.943415
  H      -5.357922     -7.134882      4.085243
  H      -5.234793     -6.313724      1.136671
  H      -4.569304     -7.821486      1.819612
  H      -3.209366     -3.442813      0.198734
  H      -4.730201     -4.167091      0.713955
  H      -1.910867     -5.097111      1.459427
  H      -2.992917     -5.909121      0.296272
  C      -1.372113      0.346995      0.197721
  C      -1.212402     -0.343400      1.337172
  C      -0.354795      0.180275      2.456988
  C      -1.836210     -1.707035      1.535395
  C      -3.326533     -1.740355      2.030943
  C      -4.284756     -1.126384      0.995427
  C      -3.437704     -0.912114      3.306455
  C      -6.837489     -6.751953      6.623429
  C      -7.381929     -5.619517      6.153418
  C      -7.336634     -4.351001      6.960573
  C      -8.094715     -5.615964      4.823194
  C      -7.431040     -4.833205      3.643839
  C      -8.191657     -5.200666      2.348130
  C      -7.612064     -3.321391      3.810044
  C      -3.215951     -6.959822      8.912902
  C      -2.866356     -6.900006      7.618801
  C      -3.479599     -7.810962      6.596134
  C      -1.825291     -5.924317      7.135219
  C      -2.322833     -4.684757      6.306149
  C      -1.115179     -3.744121      6.120691
  C      -3.366272     -3.974377      7.166927
  H      -0.920164      1.331807      0.060849
  H      -1.957319     -0.050175     -0.634042
  H      -0.904791      0.214155      3.409312
  H       0.029811      1.185417      2.237933
  H       0.504677     -0.491152      2.620639
  H      -1.254453     -2.271781      2.281062
  H      -1.769502     -2.259541      0.587286
  H      -4.054028     -0.063526      0.845601
  H      -5.316826     -1.210378      1.365953
  H      -4.227695     -1.620939      0.016033
  H      -4.460338     -0.927935      3.699417
  H      -2.773310     -1.289369      4.096140
  H      -3.162933      0.126926      3.079178
  H      -6.870243     -7.680700      6.049685
  H      -6.336332     -6.784203      7.593148
  H      -8.319866     -3.854888      6.975379
  H      -6.618113     -3.632353      6.536545
  H      -7.030373     -4.556597      7.995174
  H      -8.229390     -6.661603      4.504951
  H      -9.108676     -5.198795      4.954820
  H      -8.194151     -6.277491      2.132296
  H      -7.745638     -4.672956      1.492553
  H      -9.241203     -4.885084      2.438162
  H      -8.686396     -3.090868      3.853298
  H      -7.126538     -2.928141      4.705162
  H      -7.180813     -2.794923      2.945237
  H      -3.965822     -7.669756      9.268956
  H      -2.765624     -6.297492      9.655414
  H      -3.929097     -7.211426      5.790862
  H      -2.707486     -8.443482      6.125540
  H      -4.247177     -8.459781      7.035910
  H      -1.313571     -5.495976      8.009630
  H      -1.050337     -6.471962      6.574269
  H      -0.284762     -4.238539      5.596258
  H      -0.740609     -3.397894      7.094647
  H      -1.422559     -2.865571      5.534957
  H      -4.294812     -4.556656      7.225375
  H      -2.972196     -3.860400      8.187101
  H      -3.609843     -2.985556      6.766182
  N      -4.851927     -2.904110      4.892925
84
Coordinates from ORCA-job orca E -5420.834846852550
  N      -3.664697     -3.173625      2.268268
  C      -3.685257     -3.978803      1.033505
  C      -2.961888     -5.302529      1.224870
  N      -3.555881     -6.015964      2.356169
  C      -4.779526     -6.756922      2.038691
  C      -5.754644     -6.612787      3.199176
  N      -5.993902     -5.191030      3.498781
  Mo     -4.330679     -4.139204      3.894907
  N      -2.870034     -5.049588      4.962915
  C      -1.902080     -5.797860      4.140392
  C      -2.597680     -6.751108      3.180684
  H      -1.224354     -6.395749      4.767537
  H      -1.252106     -5.107065      3.569101
  H      -3.152366     -7.499536      3.762195
  H      -1.853554     -7.290893      2.561786
  H      -6.688187     -7.133638      2.944933
  H      -5.355761     -7.134066      4.087397
  H      -5.230276     -6.315499      1.138282
  H      -4.565371     -7.822341      1.823539
  H      -3.209086     -3.444453      0.199128
  H      -4.728417     -4.169594      0.717073
  H      -1.907760     -5.097048      1.461005
  H      -2.989692     -5.909850      0.298477
  C      -1.385787      0.356384      0.193920
  C      -1.217290     -0.338998      1.329124
  C      -0.352645      0.180637      2.445281
  C      -1.838320     -1.704189      1.525811
  C      -3.325678     -1.740194      2.030019
  C      -4.290922     -1.127476      1.000310
  C      -3.430110     -0.912764      3.306559
  C      -6.839065     -6.748630      6.624559
  C      -7.383054     -5.616594      6.152915
  C      -7.339765     -4.347423      6.959215
  C      -8.093408     -5.614416      4.821070
  C      -7.427669     -4.831694      3.642705
  C      -8.186875     -5.198959      2.345925
  C      -7.608299     -3.320124      3.809096
  C      -3.221004     -6.964931      8.913087
  C      -2.870439     -6.904140      7.619373
  C      -3.483701     -7.813323      6.595384
  C      -1.828067     -5.928787      7.137807
  C      -2.323711     -4.687607      6.309960
  C      -1.115519     -3.747126      6.128037
  C      -3.368462     -3.978493      7.169888
  H      -0.936052      1.342338      0.058364
  H      -1.975917     -0.037951     -0.635682
  H      -0.894892      0.206109      3.402392
  H       0.026491      1.188624      2.229587
  H       0.510838     -0.488576      2.597528
  H      -1.251445     -2.270972      2.265903
  H      -1.776103     -2.252633      0.575122
  H      -4.061990     -0.064581      0.847988
  H      -5.320374     -1.211796      1.377959
  H      -4.239956     -1.623203      0.021161
  H      -4.450625     -0.928452      3.704873
  H      -2.761829     -1.291028      4.092506
  H      -3.156176      0.126329      3.078494
  H      -6.870711     -7.678025      6.051690
  H      -6.339990     -6.780399      7.595386
  H      -8.322804     -3.850765      6.969783
  H      -6.618793     -3.629759      6.537737
  H      -7.038086     -4.552338      7.995318
  H      -8.226394     -6.660395      4.503417
  H      -9.107759     -5.197518      4.950129
  H      -8.191702     -6.276223      2.132250
  H      -7.737349     -4.674074      1.490405
  H      -9.235608     -4.879970      2.433119
  H      -8.682672     -3.089853      3.853967
  H      -7.121651     -2.927325      4.703804
  H      -7.178307     -2.793409      2.943919
  H      -3.971515     -7.675130      9.267339
  H      -2.770969     -6.303940      9.656935
  H      -3.934767     -7.212846      5.791518
  H      -2.711939     -8.444675      6.122774
  H      -4.250959     -8.463148      7.034289
  H      -1.316736     -5.502115      8.013228
  H      -1.053034     -6.476159      6.576850
  H      -0.285487     -4.240449      5.601956
  H      -0.740396     -3.404603      7.103089
  H      -1.422045     -2.866134      5.545511
  H      -4.296847     -4.561238      7.226614
  H      -2.976078     -3.865676      8.190870
  H      -3.612038     -2.989360      6.770056
  N      -4.848368     -2.903056      4.894193
84
Coordinates from ORCA-job orca E -5420.834853412625
  N      -3.662272     -3.173773      2.268156
  C      -3.683152     -3.979769      1.034081
  C      -2.959364     -5.303082      1.226346
  N      -3.553605     -6.016148      2.357582
  C      -4.777267     -6.757046      2.039366
  C      -5.753189     -6.612442      3.199016
  N      -5.991851     -5.190430      3.498355
  Mo     -4.328932     -4.138819      3.895298
  N      -2.869361     -5.050331      4.964538
  C      -1.900760     -5.798326      4.142518
  C      -2.596340     -6.751516      3.182643
  H      -1.223001     -6.396254      4.769607
  H      -1.250389     -5.107582      3.571523
  H      -3.151524     -7.499407      3.764378
  H      -1.852442     -7.292401      2.564276
  H      -6.686937     -7.132705      2.944531
  H      -5.355183     -7.134102      4.087436
  H      -5.227037     -6.315437      1.138558
  H      -4.563211     -7.822467      1.824238
  H      -3.207330     -3.446154      0.199068
  H      -4.726285     -4.171296      0.718010
  H      -1.905298     -5.097524      1.462704
  H      -2.986814     -5.910515      0.299964
  C      -1.395497      0.364797      0.193206
  C      -1.220364     -0.335685      1.324387
  C      -0.349858      0.179269      2.438126
  C      -1.839671     -1.701983      1.518685
  C      -3.324988     -1.740151      2.028844
  C      -4.295156     -1.128482      1.003017
  C      -3.425028     -0.913394      3.306135
  C      -6.837740     -6.745699      6.625629
  C      -7.382666     -5.614458      6.152867
  C      -7.341299     -4.344425      6.957910
  C      -8.091757     -5.614409      4.819973
  C      -7.425811     -4.830938      3.642185
  C      -8.184933     -5.197806      2.345092
  C      -7.606268     -3.319605      3.809321
  C      -3.225131     -6.967175      8.913340
  C      -2.873273     -6.906450      7.620041
  C      -3.485622     -7.815125      6.595332
  C      -1.830106     -5.931152      7.139782
  C      -2.324824     -4.689232      6.312499
  C      -1.116472     -3.748592      6.132623
  C      -3.370595     -3.980895      7.171671
  H      -0.946879      1.351462      0.059521
  H      -1.989615     -0.026258     -0.635137
  H      -0.885649      0.196667      3.399137
  H       0.024683      1.189846      2.226357
  H       0.516819     -0.488308      2.580111
  H      -1.249355     -2.270933      2.254453
  H      -1.780601     -2.246681      0.565647
  H      -4.067072     -0.065805      0.848261
  H      -5.322725     -1.212312      1.385740
  H      -4.248716     -1.626036      0.024600
  H      -4.444223     -0.928627      3.707690
  H      -2.754699     -1.292833      4.089907
  H      -3.151362      0.125625      3.077596
  H      -6.867976     -7.675540      6.053437
  H      -6.340128     -6.776768      7.597134
  H      -8.323877     -3.846768      6.964450
  H      -6.617615     -3.628415      6.538266
  H      -7.043968     -4.548539      7.995462
  H      -8.222365     -6.660697      4.502716
  H      -9.106740     -5.198624      4.947531
  H      -8.190601     -6.275238      2.132239
  H      -7.733983     -4.673981      1.489641
  H      -9.233294     -4.877399      2.431030
  H      -8.680566     -3.089969      3.857172
  H      -7.117377     -2.927217      4.702903
  H      -7.178622     -2.792838      2.943130
  H      -3.975947     -7.677937      9.265899
  H      -2.775961     -6.306547      9.657984
  H      -3.939238     -7.214745      5.792720
  H      -2.713423     -8.444707      6.121180
  H      -4.251563     -8.466908      7.033770
  H      -1.318953     -5.505781      8.015881
  H      -1.055229     -6.478291      6.578573
  H      -0.285987     -4.241367      5.606678
  H      -0.742168     -3.407879      7.108687
  H      -1.422288     -2.866669      5.551181
  H      -4.298750     -4.564097      7.227359
  H      -2.979056     -3.868322      8.192994
  H      -3.614286     -2.991664      6.772267
  N      -4.846070     -2.902159      4.894176
84
Coordinates from ORCA-job orca E -5420.834859736769
  N      -3.661811     -3.173640      2.268177
  C      -3.683469     -3.980046      1.034547
  C      -2.958785     -5.302884      1.226850
  N      -3.552298     -6.016124      2.358191
  C      -4.775826     -6.757384      2.040030
  C      -5.751762     -6.612775      3.199526
  N      -5.990718     -5.190536      3.498225
  Mo     -4.328150     -4.138615      3.895901
  N      -2.868271     -5.050043      4.965605
  C      -1.899516     -5.797569      4.143233
  C      -2.595329     -6.750969      3.183584
  H      -1.221519     -6.395679      4.769942
  H      -1.249041     -5.106800      3.572463
  H      -3.150271     -7.498729      3.765647
  H      -1.851423     -7.292461      2.565574
  H      -6.685542     -7.133195      2.945721
  H      -5.353684     -7.134076      4.088108
  H      -5.225369     -6.315526      1.139270
  H      -4.561466     -7.822656      1.824496
  H      -3.208522     -3.446952      0.198741
  H      -4.726730     -4.172413      0.719460
  H      -1.904754     -5.096967      1.462959
  H      -2.986311     -5.910312      0.300431
  C      -1.401179      0.370538      0.194278
  C      -1.221803     -0.334738      1.321887
  C      -0.346395      0.174997      2.434248
  C      -1.841187     -1.701279      1.513563
  C      -3.324870     -1.740088      2.028588
  C      -4.298344     -1.127897      1.006131
  C      -3.420539     -0.914301      3.306857
  C      -6.837800     -6.743741      6.626832
  C      -7.383583     -5.613349      6.152685
  C      -7.344620     -4.342606      6.956670
  C      -8.091087     -5.615478      4.818710
  C      -7.425103     -4.831405      3.641438
  C      -8.183702     -5.198263      2.344060
  C      -7.605842     -3.320162      3.808636
  C      -3.227944     -6.967036      8.913130
  C      -2.874782     -6.906693      7.620158
  C      -3.486360     -7.815328      6.595103
  C      -1.830706     -5.931716      7.140821
  C      -2.324564     -4.689340      6.313785
  C      -1.115893     -3.748871      6.135038
  C      -3.370729     -3.980984      7.172515
  H      -0.952324      1.357311      0.062731
  H      -1.998724     -0.016727     -0.633392
  H      -0.877501      0.186407      3.398050
  H       0.025794      1.187197      2.226034
  H       0.521804     -0.492496      2.568209
  H      -1.248770     -2.272915      2.245574
  H      -1.785453     -2.242696      0.558483
  H      -4.069303     -0.065766      0.849267
  H      -5.324500     -1.209757      1.392945
  H      -4.256418     -1.627275      0.028461
  H      -4.438651     -0.928555      3.711086
  H      -2.748895     -1.295615      4.088651
  H      -3.146203      0.124541      3.078338
  H      -6.866146     -7.673764      6.054902
  H      -6.342089     -6.774194      7.599260
  H      -8.327085     -3.844717      6.960448
  H      -6.619462     -3.627459      6.537987
  H      -7.050080     -4.546009      7.995210
  H      -8.219486     -6.662053      4.501800
  H      -9.106756     -5.200985      4.944874
  H      -8.187119     -6.275388      2.129989
  H      -7.733520     -4.672642      1.489379
  H      -9.232663     -4.880061      2.429729
  H      -8.680071     -3.091187      3.858532
  H      -7.115241     -2.927607      4.701074
  H      -7.179805     -2.793826      2.941408
  H      -3.979214     -7.678070      9.264227
  H      -2.779496     -6.306470      9.658228
  H      -3.942875     -7.215324      5.793801
  H      -2.713524     -8.443003      6.119496
  H      -4.250425     -8.469411      7.033546
  H      -1.319340     -5.507596      8.017356
  H      -1.056501     -6.479139      6.579081
  H      -0.284398     -4.241864      5.610817
  H      -0.743614     -3.408364      7.112035
  H      -1.420664     -2.867187      5.552770
  H      -4.299019     -4.563949      7.227615
  H      -2.979232     -3.868424      8.193851
  H      -3.613914     -2.991563      6.773270
  N      -4.845540     -2.901681      4.894261
84
Coordinates from ORCA-job orca E -5420.834865865862
  N      -3.661629     -3.173930      2.267522
  C      -3.683375     -3.980344      1.034035
  C      -2.958565     -5.303152      1.226541
  N      -3.552283     -6.016445      2.357721
  C      -4.775898     -6.757445      2.039207
  C      -5.751699     -6.613184      3.198699
  N      -5.990797     -5.190825      3.497458
  Mo     -4.328125     -4.138943      3.895499
  N      -2.868245     -5.050011      4.966156
  C      -1.899859     -5.798001      4.143670
  C      -2.596138     -6.751068      3.183885
  H      -1.222713     -6.397055      4.770462
  H      -1.248392     -5.107738      3.573550
  H      -3.151359     -7.498637      3.765876
  H      -1.851990     -7.293182      2.566575
  H      -6.685594     -7.133513      2.945183
  H      -5.353631     -7.134458      4.087275
  H      -5.225228     -6.314617      1.138841
  H      -4.561468     -7.822494      1.822571
  H      -3.208273     -3.447806      0.197950
  H      -4.726626     -4.172872      0.719001
  H      -1.904634     -5.097200      1.463034
  H      -2.985974     -5.910700      0.300176
  C      -1.403546      0.375376      0.197715
  C      -1.222027     -0.334314      1.322299
  C      -0.343177      0.170322      2.434453
  C      -1.841966     -1.700948      1.510750
  C      -3.324889     -1.740375      2.028305
  C      -4.299843     -1.127566      1.007562
  C      -3.418372     -0.915464      3.307384
  C      -6.835939     -6.742606      6.627546
  C      -7.383349     -5.613218      6.152612
  C      -7.345941     -4.341807      6.955632
  C      -8.090326     -5.617182      4.818349
  C      -7.425544     -4.832286      3.641183
  C      -8.184365     -5.198895      2.344031
  C      -7.606732     -3.321017      3.808785
  C      -3.230012     -6.964707      8.913230
  C      -2.875430     -6.905340      7.620533
  C      -3.485501     -7.815333      6.595738
  C      -1.831007     -5.930416      7.141493
  C      -2.324543     -4.688477      6.313764
  C      -1.115506     -3.748326      6.134723
  C      -3.370586     -3.979121      7.172057
  H      -0.953976      1.362158      0.068764
  H      -2.003348     -0.008108     -0.630132
  H      -0.871277      0.176925      3.400018
  H       0.027872      1.183676      2.229744
  H       0.525581     -0.497777      2.562281
  H      -1.248658     -2.275189      2.240069
  H      -1.788322     -2.239503      0.553874
  H      -4.069298     -0.066068      0.848918
  H      -5.325300     -1.207188      1.396560
  H      -4.260834     -1.628792      0.030748
  H      -4.435986     -0.929210      3.712833
  H      -2.746193     -1.298236      4.088151
  H      -3.143496      0.123315      3.079301
  H      -6.862484     -7.672618      6.055639
  H      -6.340767     -6.772144      7.600202
  H      -8.327927     -3.843098      6.957438
  H      -6.619557     -3.627708      6.537197
  H      -7.053171     -4.544713      7.994781
  H      -8.216973     -6.663935      4.501448
  H      -9.106713     -5.204260      4.944290
  H      -8.184659     -6.275464      2.127434
  H      -7.736687     -4.669993      1.490136
  H      -9.234295     -4.884396      2.431020
  H      -8.680766     -3.092690      3.861270
  H      -7.113902     -2.928121      4.699679
  H      -7.182827     -2.794987      2.940329
  H      -3.981413     -7.675972      9.263578
  H      -2.782660     -6.303215      9.658147
  H      -3.945876     -7.216668      5.795705
  H      -2.711165     -8.440211      6.118883
  H      -4.246354     -8.472711      7.034983
  H      -1.319656     -5.506591      8.018152
  H      -1.057232     -6.478329      6.579651
  H      -0.282527     -4.242524      5.613931
  H      -0.746194     -3.405609      7.112149
  H      -1.419106     -2.868424      5.549247
  H      -4.299279     -4.561355      7.227102
  H      -2.978611     -3.866051      8.193123
  H      -3.612764     -2.989590      6.772384
  N      -4.846121     -2.901685      4.893137
84
Coordinates from ORCA-job orca E -5420.834899063038
  N      -3.664871     -3.173823      2.265372
  C      -3.685447     -3.976726      1.029469
  C      -2.962564     -5.301104      1.219289
  N      -3.558059     -6.016667      2.348313
  C      -4.781764     -6.756370      2.027777
  C      -5.757772     -6.614284      3.187421
  N      -5.997029     -5.192500      3.488482
  Mo     -4.333743     -4.142547      3.889867
  N      -2.874252     -5.054008      4.959978
  C      -1.906826     -5.801592      4.135936
  C      -2.602721     -6.752794      3.174194
  H      -1.230539     -6.402241      4.762118
  H      -1.254881     -5.110720      3.567223
  H      -3.158581     -7.501425      3.754222
  H      -1.857781     -7.293466      2.556723
  H      -6.691492     -7.134323      2.932416
  H      -5.359909     -7.136786      4.075370
  H      -5.230961     -6.311472      1.128346
  H      -4.567565     -7.821039      1.808939
  H      -3.208302     -3.442325      0.195698
  H      -4.728483     -4.166880      0.712270
  H      -1.908727     -5.096572      1.457416
  H      -2.989625     -5.906641      0.291655
  C      -1.385975      0.370140      0.209313
  C      -1.216140     -0.336759      1.337234
  C      -0.347451      0.169939      2.456452
  C      -1.839071     -1.702388      1.522900
  C      -3.325229     -1.740145      2.031036
  C      -4.292550     -1.123740      1.005405
  C      -3.425331     -0.917095      3.310834
  C      -6.840765     -6.750379      6.613837
  C      -7.387126     -5.619186      6.142287
  C      -7.346486     -4.349936      6.948531
  C      -8.096146     -5.618667      4.809559
  C      -7.431592     -4.834014      3.632271
  C      -8.190500     -5.199659      2.335093
  C      -7.612433     -3.322441      3.800009
  C      -3.168280     -6.952327      8.949663
  C      -2.857921     -6.894864      7.645454
  C      -3.505975     -7.805141      6.644228
  C      -1.821938     -5.927864      7.132217
  C      -2.324907     -4.689568      6.304433
  C      -1.118330     -3.748013      6.115661
  C      -3.366378     -3.979236      7.167705
  H      -0.934332      1.356308      0.082480
  H      -1.978331     -0.014664     -0.623211
  H      -0.886025      0.183123      3.415868
  H       0.029569      1.180872      2.251341
  H       0.516972     -0.500645      2.596822
  H      -1.251348     -2.276645      2.256559
  H      -1.780263     -2.242324      0.567108
  H      -4.059244     -0.062181      0.850804
  H      -5.320753     -1.202794      1.387282
  H      -4.247906     -1.622410      0.027492
  H      -4.445296     -0.930871      3.710405
  H      -2.757728     -1.301267      4.094647
  H      -3.148226      0.121893      3.086129
  H      -6.869310     -7.678909      6.039517
  H      -6.343423     -6.782476      7.585405
  H      -8.328042     -3.850475      6.954551
  H      -6.621279     -3.634923      6.529490
  H      -7.050193     -4.555702      7.986109
  H      -8.226251     -6.664618      4.491077
  H      -9.111514     -5.204070      4.938096
  H      -8.189228     -6.275611      2.115719
  H      -7.745038     -4.667863      1.481958
  H      -9.241040     -4.887748      2.424029
  H      -8.686502     -3.093126      3.850193
  H      -7.121088     -2.929610      4.691914
  H      -7.186439     -2.796398      2.932411
  H      -3.911224     -7.658857      9.326496
  H      -2.691737     -6.293030      9.678229
  H      -4.013280     -7.206634      5.873306
  H      -2.748303     -8.417680      6.126199
  H      -4.236833     -8.474515      7.115238
  H      -1.289493     -5.498886      7.993739
  H      -1.062426     -6.483946      6.558830
  H      -0.286756     -4.243025      5.593372
  H      -0.745446     -3.399817      7.089727
  H      -1.426416     -2.871557      5.527298
  H      -4.294384     -4.561880      7.229275
  H      -2.968330     -3.863818      8.186175
  H      -3.611410     -2.990651      6.767284
  N      -4.853309     -2.907295      4.889223
84
Coordinates from ORCA-job orca E -5420.834914758333
  N      -3.670156     -3.174665      2.265322
  C      -3.690374     -3.979616      1.030586
  C      -2.969312     -5.304846      1.223107
  N      -3.564105     -6.017345      2.354823
  C      -4.787721     -6.759079      2.039067
  C      -5.762100     -6.613785      3.199917
  N      -6.002823     -5.190864      3.494378
  Mo     -4.338739     -4.140039      3.891529
  N      -2.877280     -5.045132      4.963166
  C      -1.910212     -5.793779      4.140144
  C      -2.606927     -6.748783      3.183005
  H      -1.234308     -6.393263      4.767711
  H      -1.258866     -5.104222      3.569335
  H      -3.161618     -7.495861      3.766602
  H      -1.861521     -7.290641      2.567251
  H      -6.695380     -7.136299      2.947908
  H      -5.362264     -7.131240      4.090055
  H      -5.239249     -6.317403      1.139172
  H      -4.572784     -7.824252      1.823137
  H      -3.211376     -3.447358      0.196370
  H      -4.733461     -4.168566      0.712770
  H      -1.915214     -5.100215      1.460070
  H      -2.997538     -5.913257      0.297452
  C      -1.364358      0.350043      0.207216
  C      -1.208270     -0.347883      1.342467
  C      -0.348578      0.165322      2.465890
  C      -1.836604     -1.710348      1.532546
  C      -3.326670     -1.742180      2.029675
  C      -4.284126     -1.126025      0.994820
  C      -3.434959     -0.914685      3.306041
  C      -6.855416     -6.708042      6.641336
  C      -7.399923     -5.583502      6.152444
  C      -7.362370     -4.303923      6.942303
  C      -8.104421     -5.600137      4.818120
  C      -7.437560     -4.830869      3.632306
  C      -8.194391     -5.210790      2.338401
  C      -7.618140     -3.316782      3.781390
  C      -3.131338     -7.013224      8.920502
  C      -2.821609     -6.922919      7.617822
  C      -3.441612     -7.835364      6.599885
  C      -1.808338     -5.921923      7.124986
  C      -2.334237     -4.684698      6.310620
  C      -1.144373     -3.719316      6.133146
  C      -3.389144     -4.002141      7.180367
  H      -0.908302      1.333865      0.077077
  H      -1.949970     -0.039413     -0.627938
  H      -0.897909      0.193166      3.418522
  H       0.037835      1.171204      2.254181
  H       0.508860     -0.509668      2.623431
  H      -1.256134     -2.281399      2.274375
  H      -1.772817     -2.257482      0.581044
  H      -4.046412     -0.065494      0.839631
  H      -5.315780     -1.201379      1.368054
  H      -4.232909     -1.626823      0.018326
  H      -4.457794     -0.926611      3.698418
  H      -2.772911     -1.296283      4.095709
  H      -3.155481      0.123391      3.080036
  H      -6.881191     -7.643912      6.078958
  H      -6.361593     -6.726554      7.615095
  H      -8.344077     -3.804895      6.939902
  H      -6.637460     -3.593573      6.514734
  H      -7.067094     -4.495986      7.982752
  H      -8.234617     -6.650033      4.512424
  H      -9.120354     -5.184515      4.939146
  H      -8.189474     -6.288325      2.127157
  H      -7.751579     -4.684022      1.480891
  H      -9.246345     -4.902846      2.425089
  H      -8.692128     -3.085463      3.823471
  H      -7.130442     -2.913068      4.670573
  H      -7.187474     -2.801720      2.909331
  H      -3.854971     -7.746128      9.284131
  H      -2.673970     -6.353625      9.661016
  H      -3.989500     -7.242400      5.853032
  H      -2.663513     -8.398342      6.056509
  H      -4.132978     -8.550829      7.063017
  H      -1.291345     -5.492565      7.995791
  H      -1.032164     -6.451788      6.548978
  H      -0.300902     -4.195263      5.612230
  H      -0.783540     -3.369648      7.111159
  H      -1.466466     -2.845799      5.547913
  H      -4.307461     -4.600859      7.233193
  H      -2.994414     -3.891501      8.200613
  H      -3.649821     -3.013225      6.790432
  N      -4.859657     -2.902667      4.887630
84
Coordinates from ORCA-job orca E -5420.834941888867
  N      -3.669013     -3.171896      2.258680
  C      -3.688082     -3.980265      1.026207
  C      -2.968107     -5.305422      1.223315
  N      -3.564339     -6.014211      2.356477
  C      -4.787869     -6.756494      2.042041
  C      -5.761500     -6.608052      3.202964
  N      -6.003509     -5.184341      3.493015
  Mo     -4.339471     -4.132587      3.886974
  N      -2.879616     -5.033738      4.962718
  C      -1.911833     -5.784833      4.142766
  C      -2.608522     -6.742981      3.188677
  H      -1.236242     -6.382559      4.771815
  H      -1.260234     -5.097102      3.569914
  H      -3.164664     -7.486898      3.775082
  H      -1.862980     -7.288138      2.575916
  H      -6.694350     -7.132929      2.954521
  H      -5.359376     -7.121612      4.094484
  H      -5.239505     -6.317115      1.141064
  H      -4.572932     -7.822244      1.828997
  H      -3.207490     -3.450639      0.191210
  H      -4.730841     -4.169416      0.707448
  H      -1.914102     -5.100816      1.460673
  H      -2.995859     -5.916446      0.299397
  C      -1.351153      0.342351      0.196130
  C      -1.197779     -0.354715      1.332267
  C      -0.335670      0.156457      2.454794
  C      -1.831206     -1.714587      1.523999
  C      -3.321770     -1.740845      2.020127
  C      -4.276406     -1.124217      0.982975
  C      -3.429223     -0.910199      3.294469
  C      -6.820763     -6.752753      6.617500
  C      -7.370097     -5.619472      6.154547
  C      -7.320432     -4.353167      6.964868
  C      -8.091453     -5.613596      4.829080
  C      -7.437480     -4.828750      3.646299
  C      -8.205872     -5.194983      2.355269
  C      -7.618538     -3.316663      3.814393
  C      -3.187895     -6.999895      8.905947
  C      -2.852952     -6.908483      7.609603
  C      -3.453625     -7.820471      6.579171
  C      -1.832438     -5.905248      7.137590
  C      -2.346026     -4.670701      6.312911
  C      -1.153363     -3.706918      6.144035
  C      -3.409851     -3.984620      7.169021
  H      -0.891090      1.324119      0.064733
  H      -1.938482     -0.045755     -0.638449
  H      -0.884549      0.187902      3.407602
  H       0.054911      1.160442      2.241643
  H       0.519038     -0.521946      2.612967
  H      -1.253124     -2.286619      2.266933
  H      -1.768879     -2.263347      0.573351
  H      -4.034868     -0.064931      0.825127
  H      -5.308599     -1.194969      1.355660
  H      -4.226270     -1.627772      0.007861
  H      -4.452538     -0.918553      3.685695
  H      -2.769159     -1.291738      4.085742
  H      -3.146746      0.126605      3.066439
  H      -6.855594     -7.679149      6.040040
  H      -6.315331     -6.788614      7.584929
  H      -8.300921     -3.852008      6.981983
  H      -6.598612     -3.637685      6.540624
  H      -7.013650     -4.562876      7.998554
  H      -8.227218     -6.658627      4.509287
  H      -9.105115     -5.198262      4.968748
  H      -8.201348     -6.269907      2.131237
  H      -7.772236     -4.657292      1.499821
  H      -9.257475     -4.889949      2.455665
  H      -8.692404     -3.087229      3.869046
  H      -7.123150     -2.922561      4.703690
  H      -7.196652     -2.791051      2.944345
  H      -3.916705     -7.734750      9.255023
  H      -2.747846     -6.338350      9.655201
  H      -4.008296     -7.231581      5.833563
  H      -2.664386     -8.367678      6.036397
  H      -4.136543     -8.550384      7.032903
  H      -1.334036     -5.474411      8.018487
  H      -1.043893     -6.433731      6.577841
  H      -0.305167     -4.185563      5.633207
  H      -0.801936     -3.353760      7.124211
  H      -1.468968     -2.835541      5.552266
  H      -4.329281     -4.582569      7.213958
  H      -3.026204     -3.870736      8.193106
  H      -3.665788     -2.996896      6.772787
  N      -4.860483     -2.892445      4.879624
84
Coordinates from ORCA-job orca E -5374.319347848203
  N      -3.667544     -3.174284      2.262441
  C      -3.688127     -3.978893      1.027624
  C      -2.968860     -5.304951      1.220059
  N      -3.565769     -6.016845      2.350615
  C      -4.790308     -6.755794      2.032589
  C      -5.764343     -6.610936      3.193520
  N      -6.003204     -5.188399      3.491623
  Mo     -4.337904     -4.139677      3.888149
  N      -2.878064     -5.046124      4.959420
  C      -1.912613     -5.796174      4.135781
  C      -2.611321     -6.750806      3.179625
  H      -1.234911     -6.395069      4.761571
  H      -1.262221     -5.107182      3.562792
  H      -3.168763     -7.494704      3.764351
  H      -1.867792     -7.296013      2.564359
  H      -6.698442     -7.131892      2.941350
  H      -5.364472     -7.131056      4.082076
  H      -5.240576     -6.311880      1.133143
  H      -4.577398     -7.821045      1.815290
  H      -3.208213     -3.446654      0.193973
  H      -4.731189     -4.166725      0.709107
  H      -1.914504     -5.102466      1.457636
  H      -2.997492     -5.912332      0.293757
  C      -1.360436      0.354212      0.211351
  C      -1.201117     -0.350361      1.342179
  C      -0.335649      0.154751      2.464677
  C      -1.832313     -1.712201      1.527722
  C      -3.321495     -1.742281      2.027642
  C      -4.279853     -1.122956      0.995461
  C      -3.426396     -0.916609      3.305271
  C      -6.840093     -6.750220      6.618343
  C      -7.389336     -5.619273      6.149206
  C      -7.352809     -4.351645      6.958179
  C      -8.099256     -5.617524      4.817180
  C      -7.437338     -4.831179      3.639451
  C      -8.198311     -5.196947      2.343746
  C      -7.619580     -3.319804      3.808864
  C      -3.166311     -6.969169      8.926651
  C      -2.840574     -6.897083      7.626895
  C      -3.457903     -7.815920      6.613135
  C      -1.818493     -5.905574      7.134535
  C      -2.333170     -4.676216      6.303600
  C      -1.137900     -3.719462      6.116754
  C      -3.386687     -3.979751      7.163874
  H      -0.902334      1.337418      0.084485
  H      -1.950684     -0.029328     -0.623280
  H      -0.880214      0.176997      3.420497
  H       0.050985      1.161622      2.257490
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  H      -4.231958     -1.622635      0.018242
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  H      -2.764363     -1.300867      4.093585
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  H      -6.867427     -7.677931      6.042531
  H      -6.344164     -6.783641      7.590763
  H      -8.336315     -3.856034      6.965720
  H      -6.630884     -3.632947      6.539708
  H      -7.054694     -4.558060      7.995057
  H      -8.228971     -6.663314      4.497613
  H      -9.115055     -5.204540      4.947442
  H      -8.194361     -6.272531      2.121987
  H      -7.757228     -4.661869      1.490340
  H      -9.249714     -4.888764      2.436572
  H      -8.693966     -3.091131      3.857640
  H      -7.130029     -2.927670      4.702226
  H      -7.192867     -2.792178      2.942612
  H      -3.896447     -7.695550      9.290543
  H      -2.717081     -6.300584      9.664124
  H      -4.021206     -7.233118      5.868960
  H      -2.678649     -8.371209      6.064816
  H      -4.137565     -8.538811      7.083066
  H      -1.310030     -5.468495      8.006514
  H      -1.037545     -6.443955      6.573550
  H      -0.298794     -4.205026      5.597301
  H      -0.771850     -3.363859      7.090689
  H      -1.456089     -2.848826      5.525391
  H      -4.307360     -4.574513      7.222437
  H      -2.993722     -3.859375      8.183739
  H      -3.643591     -2.994496      6.762650
  N      -4.855160     -2.902141      4.886002
84
Coordinates from ORCA-job orca E -5420.854947271599
  N      -3.663690     -3.183955      2.281740
  C      -3.691737     -3.965204      1.032807
  C      -2.975436     -5.295579      1.196784
  N      -3.573952     -6.026510      2.312461
  C      -4.803091     -6.747514      1.974935
  C      -5.777245     -6.626871      3.137799
  N      -6.002045     -5.213369      3.483523
  Mo     -4.331255     -4.177322      3.892034
  N      -2.869493     -5.111803      4.935289
  C      -1.917364     -5.856602      4.091497
  C      -2.625626     -6.789603      3.120830
  H      -1.229262     -6.462796      4.700095
  H      -1.272273     -5.160340      3.519621
  H      -3.188626     -7.535967      3.693420
  H      -1.892582     -7.331301      2.489390
  H      -6.717560     -7.127267      2.865813
  H      -5.387406     -7.183953      4.006817
  H      -5.247635     -6.276805      1.086286
  H      -4.600905     -7.808870      1.731195
  H      -3.215453     -3.416219      0.208326
  H      -4.736239     -4.145610      0.714969
  H      -1.918938     -5.104645      1.434098
  H      -3.009835     -5.881280      0.256745
  C      -1.393597      0.410972      0.301597
  C      -1.212156     -0.327664      1.408302
  C      -0.339518      0.151184      2.535635
  C      -1.832878     -1.698469      1.561460
  C      -3.318628     -1.746661      2.070995
  C      -4.288664     -1.109179      1.060579
  C      -3.416956     -0.949668      3.365918
  C      -6.910737     -6.713131      6.642147
  C      -7.479253     -5.609725      6.128591
  C      -7.532492     -4.327649      6.913590
  C      -8.131453     -5.652027      4.765663
  C      -7.439551     -4.858406      3.607113
  C      -8.159230     -5.240274      2.291801
  C      -7.645760     -3.352777      3.774151
  C      -3.048952     -6.792800      9.026556
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  C      -3.516770     -7.762782      6.797079
  C      -1.748575     -5.920736      7.105793
  C      -2.261644     -4.714192      6.246485
  C      -1.049197     -3.807922      5.961464
  C      -3.248299     -3.957350      7.133711
  H      -0.944957      1.400762      0.198066
  H      -1.992491      0.047426     -0.535862
  H      -0.871347      0.133904      3.500608
  H       0.031860      1.169892      2.356852
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  H      -1.242645     -2.289650      2.279744
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  H      -5.315348     -1.198314      1.444760
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  H      -2.748840     -1.348974      4.141469
  H      -3.140670      0.093368      3.160249
  H      -6.881761     -7.653956      6.087773
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  H      -8.540142     -3.883828      6.870927
  H      -6.829760     -3.581146      6.512162
  H      -7.270644     -4.499029      7.966479
  H      -8.219004     -6.705200      4.457962
  H      -9.160879     -5.261743      4.845477
  H      -8.140540     -6.320608      2.088486
  H      -7.690236     -4.716025      1.445809
  H      -9.213667     -4.932709      2.346606
  H      -8.725066     -3.141032      3.789930
  H      -7.192830     -2.960995      4.686564
  H      -7.200013     -2.814137      2.925874
  H      -3.791571     -7.457558      9.474305
  H      -2.533082     -6.099757      9.694712
  H      -4.111571     -7.196900      6.063248
  H      -2.811570     -8.382879      6.222563
  H      -4.193471     -8.424815      7.355000
  H      -1.176932     -5.459221      7.924061
  H      -1.019347     -6.521402      6.537698
  H      -0.266174     -4.339086      5.399390
  H      -0.602134     -3.441676      6.896991
  H      -1.373845     -2.939981      5.370368
  H      -4.177663     -4.525292      7.265652
  H      -2.801008     -3.812940      8.128215
  H      -3.504050     -2.981338      6.713124
  N      -4.828006     -2.955861      4.919823
84
Coordinates from ORCA-job orca E -5420.834890189675
  N      -3.669474     -3.176222      2.263814
  C      -3.686565     -3.977913      1.027118
  C      -2.969122     -5.304903      1.217951
  N      -3.569785     -6.018463      2.345048
  C      -4.794489     -6.754025      2.021042
  C      -5.770385     -6.613707      3.180735
  N      -6.008175     -5.192584      3.486629
  Mo     -4.342853     -4.144426      3.886476
  N      -2.882664     -5.052337      4.955773
  C      -1.920012     -5.806477      4.132942
  C      -2.619230     -6.757807      3.173791
  H      -1.243368     -6.406352      4.760183
  H      -1.267270     -5.119403      3.560037
  H      -3.180213     -7.500405      3.755828
  H      -1.876879     -7.304176      2.558069
  H      -6.704472     -7.132066      2.923633
  H      -5.373201     -7.140262      4.066275
  H      -5.241999     -6.305087      1.122726
  H      -4.583586     -7.818807      1.799533
  H      -3.203929     -3.443081      0.196737
  H      -4.728695     -4.164186      0.704803
  H      -1.914784     -5.105139      1.457819
  H      -2.996872     -5.909355      0.289665
  C      -1.350414      0.354345      0.230191
  C      -1.198453     -0.349672      1.362688
  C      -0.344775      0.158328      2.492542
  C      -1.828721     -1.712510      1.543900
  C      -3.321614     -1.743743      2.032209
  C      -4.272929     -1.124014      0.993607
  C      -3.436814     -0.918762      3.309090
  C      -6.850607     -6.740362      6.620763
  C      -7.406361     -5.615526      6.144012
  C      -7.385456     -4.343984      6.947299
  C      -8.109338     -5.622970      4.807746
  C      -7.443269     -4.836877      3.631237
  C      -8.199230     -5.205440      2.332783
  C      -7.628951     -3.326717      3.800066
  C      -3.112168     -6.950102      8.946148
  C      -2.817205     -6.887533      7.638749
  C      -3.473913     -7.800309      6.645985
  C      -1.798112     -5.907832      7.117947
  C      -2.322194     -4.679048      6.293508
  C      -1.126554     -3.728621      6.083525
  C      -3.357615     -3.978341      7.172226
  H      -0.893460      1.338362      0.106423
  H      -1.933132     -0.031147     -0.608829
  H      -0.898649      0.181602      3.443446
  H       0.042801      1.165391      2.287340
  H       0.513176     -0.517065      2.651592
  H      -1.252799     -2.286553      2.287043
  H      -1.759588     -2.255699      0.590728
  H      -4.034669     -0.062900      0.843755
  H      -5.306523     -1.200694      1.361356
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  H      -2.779951     -1.301757      4.102231
  H      -3.155704      0.119515      3.086076
  H      -6.867420     -7.671331      6.049839
  H      -6.359840     -6.765609      7.595932
  H      -8.375470     -3.861099      6.949882
  H      -6.671591     -3.618073      6.527849
  H      -7.087964     -4.541488      7.986080
  H      -8.233779     -6.670275      4.491657
  H      -9.126765     -5.212180      4.930864
  H      -8.192597     -6.281746      2.114209
  H      -7.754682     -4.672122      1.479935
  H      -9.251188     -4.897564      2.420659
  H      -8.704155     -3.100467      3.842777
  H      -7.145967     -2.934915      4.697086
  H      -7.198298     -2.797220      2.937231
  H      -3.839927     -7.667960      9.331360
  H      -2.637585     -6.284046      9.669926
  H      -4.060918     -7.214476      5.922821
  H      -2.719059     -8.358855      6.068435
  H      -4.141416     -8.519631      7.138883
  H      -1.269028     -5.469476      7.976825
  H      -1.031683     -6.454422      6.543907
  H      -0.300896     -4.219697      5.547822
  H      -0.738264     -3.372990      7.048840
  H      -1.451950     -2.857102      5.497490
  H      -4.278325     -4.570540      7.248434
  H      -2.946695     -3.859489      8.185294
  H      -3.619481     -2.992664      6.776527
  N      -4.859410     -2.908122      4.886297
84
Coordinates from ORCA-job orca E -5420.834700531748
  N      -3.668248     -3.178664      2.266306
  C      -3.687788     -3.983646      1.031587
  C      -2.968472     -5.309933      1.225238
  N      -3.566971     -6.022028      2.355244
  C      -4.791089     -6.762475      2.036868
  C      -5.766672     -6.617144      3.196733
  N      -6.004085     -5.194055      3.494492
  Mo     -4.339322     -4.146238      3.891110
  N      -2.881098     -5.051289      4.964417
  C      -1.913760     -5.797848      4.139689
  C      -2.613887     -6.754384      3.187094
  H      -1.234287     -6.396032      4.762537
  H      -1.265885     -5.107546      3.565527
  H      -3.173384     -7.495099      3.775668
  H      -1.871147     -7.303749      2.574808
  H      -6.700796     -7.137437      2.944092
  H      -5.367527     -7.137350      4.086383
  H      -5.241257     -6.320386      1.136463
  H      -4.576382     -7.827656      1.820677
  H      -3.207419     -3.452094      0.197690
  H      -4.730598     -4.172100      0.712449
  H      -1.914534     -5.106941      1.464382
  H      -2.995416     -5.917521      0.298955
  C      -1.375769      0.363572      0.220736
  C      -1.204912     -0.356138      1.339932
  C      -0.320220      0.129590      2.456122
  C      -1.840711     -1.717062      1.517345
  C      -3.325011     -1.746623      2.031232
  C      -4.292125     -1.126380      1.007880
  C      -3.418234     -0.922135      3.310926
  C      -6.857677     -6.752196      6.616277
  C      -7.388971     -5.612831      6.147958
  C      -7.326700     -4.346099      6.956765
  C      -8.102163     -5.602954      4.817646
  C      -7.435152     -4.825709      3.637528
  C      -8.202712     -5.183029      2.343297
  C      -7.598511     -3.311157      3.803263
  C      -3.184996     -6.978938      8.913760
  C      -2.831107     -6.899926      7.621451
  C      -3.399292     -7.837972      6.595143
  C      -1.821769     -5.884385      7.151219
  C      -2.343364     -4.666551      6.306167
  C      -1.159568     -3.693256      6.125222
  C      -3.417324     -3.975415      7.145190
  H      -0.913877      1.345957      0.100378
  H      -1.978731     -0.006160     -0.610969
  H      -0.848039      0.135015      3.420846
  H       0.063095      1.139732      2.259952
  H       0.539308     -0.549671      2.578476
  H      -1.255116     -2.302628      2.243634
  H      -1.791054     -2.250088      0.556912
  H      -4.052835     -0.066425      0.850576
  H      -5.319622     -1.198440      1.392986
  H      -4.253597     -1.627626      0.031020
  H      -4.437680     -0.929892      3.712078
  H      -2.751941     -1.309821      4.093941
  H      -3.135474      0.115179      3.085579
  H      -6.904189     -7.679960      6.041750
  H      -6.359523     -6.793649      7.587474
  H      -8.298043     -3.827487      6.961878
  H      -6.586204     -3.645207      6.540461
  H      -7.036152     -4.559528      7.994438
  H      -8.241844     -6.648002      4.499639
  H      -9.113903     -5.180278      4.948918
  H      -8.221014     -6.258976      2.126103
  H      -7.750722     -4.660905      1.487763
  H      -9.247650     -4.853317      2.433794
  H      -8.669641     -3.068848      3.856046
  H      -7.099810     -2.921946      4.692836
  H      -7.168831     -2.791791      2.933145
  H      -3.903408     -7.724723      9.261166
  H      -2.771799     -6.297182      9.660051
  H      -4.005560     -7.281571      5.864331
  H      -2.592047     -8.337294      6.033053
  H      -4.030470     -8.608005      7.057739
  H      -1.339582     -5.437364      8.033173
  H      -1.019263     -6.407456      6.607819
  H      -0.313277     -4.165247      5.605541
  H      -0.800361     -3.337941      7.101806
  H      -1.487901     -2.824082      5.537096
  H      -4.330316     -4.583394      7.199996
  H      -3.038111     -3.835794      8.167522
  H      -3.684294     -2.998946      6.727371
  N      -4.858231     -2.911405      4.891408
84
Coordinates from ORCA-job orca E -5397.574375453223
  N      -3.675102     -3.169330      2.252347
  C      -3.691419     -3.978735      1.020591
  C      -2.974168     -5.304686      1.221015
  N      -3.572465     -6.010120      2.355018
  C      -4.795606     -6.752811      2.040593
  C      -5.769513     -6.604599      3.201448
  N      -6.012738     -5.181317      3.491113
  Mo     -4.348945     -4.126689      3.880988
  N      -2.889528     -5.022795      4.959559
  C      -1.921519     -5.777738      4.143629
  C      -2.618022     -6.737255      3.190497
  H      -1.248570     -6.375230      4.775813
  H      -1.267301     -5.092694      3.570302
  H      -3.176221     -7.478363      3.778083
  H      -1.872495     -7.285169      2.580185
  H      -6.702412     -7.129987      2.952588
  H      -5.367119     -7.118039      4.092858
  H      -5.247189     -6.313638      1.139487
  H      -4.580900     -7.818735      1.827925
  H      -3.207123     -3.450294      0.186970
  H      -4.733492     -4.166329      0.698667
  H      -1.919904     -5.101734      1.458559
  H      -3.002301     -5.917383      0.298213
  C      -1.313828      0.326334      0.205546
  C      -1.179946     -0.366022      1.347191
  C      -0.332210      0.146831      2.479740
  C      -1.822007     -1.722030      1.536339
  C      -3.319061     -1.739862      2.013787
  C      -4.257971     -1.121490      0.963363
  C      -3.439334     -0.904850      3.283824
  C      -6.789030     -6.733974      6.629850
  C      -7.347023     -5.605859      6.163937
  C      -7.288707     -4.332049      6.961720
  C      -8.085844     -5.612077      4.847988
  C      -7.447812     -4.833864      3.651796
  C      -8.220195     -5.222658      2.370115
  C      -7.642868     -3.322223      3.805680
  C      -3.173798     -7.026436      8.887872
  C      -2.844486     -6.915284      7.591595
  C      -3.440041     -7.823059      6.554572
  C      -1.835372     -5.895436      7.130165
  C      -2.361038     -4.662187      6.312670
  C      -1.179072     -3.685013      6.149237
  C      -3.432085     -3.994209      7.174494
  H      -0.847241      1.305245      0.076096
  H      -1.890924     -0.063238     -0.635468
  H      -0.895927      0.188966      3.423582
  H       0.068968      1.146538      2.266070
  H       0.515175     -0.536300      2.656447
  H      -1.256276     -2.293484      2.289097
  H      -1.750579     -2.275474      0.589117
  H      -4.010643     -0.063193      0.807841
  H      -5.295246     -1.188296      1.322504
  H      -4.196877     -1.625333     -0.010938
  H      -4.467480     -0.909377      3.662379
  H      -2.790176     -1.285142      4.084434
  H      -3.151167      0.130378      3.055598
  H      -6.830395     -7.666270      6.062392
  H      -6.270641     -6.759717      7.590748
  H      -8.270548     -3.833806      6.987938
  H      -6.575160     -3.618225      6.520888
  H      -6.966656     -4.531034      7.992875
  H      -8.223143     -6.659749      4.537735
  H      -9.098542     -5.197790      4.997160
  H      -8.202791     -6.300084      2.157628
  H      -7.798776     -4.688659      1.506289
  H      -9.274836     -4.929792      2.474624
  H      -8.718840     -3.102695      3.861849
  H      -7.148511     -2.914848      4.689379
  H      -7.229130     -2.800940      2.929251
  H      -3.891077     -7.775277      9.231151
  H      -2.739427     -6.368434      9.643545
  H      -4.050169     -7.242013      5.846936
  H      -2.648908     -8.318174      5.967302
  H      -4.073522     -8.595429      7.010538
  H      -1.347098     -5.464482      8.016663
  H      -1.036310     -6.409850      6.571835
  H      -0.327546     -4.151322      5.632444
  H      -0.828470     -3.334868      7.130802
  H      -1.505464     -2.812968      5.564519
  H      -4.344992     -4.602643      7.214074
  H      -3.050230     -3.885107      8.199829
  H      -3.698930     -3.006114      6.787017
  N      -4.869736     -2.884285      4.871097
84
Coordinates from ORCA-job orca E -5420.827081934619
  N      -3.661450     -3.162356      2.241997
  C      -3.674627     -3.990019      1.022033
  C      -2.972012     -5.317270      1.245180
  N      -3.587524     -5.998543      2.381562
  C      -4.813514     -6.728945      2.059083
  C      -5.797942     -6.558877      3.206748
  N      -6.032638     -5.133718      3.482112
  Mo     -4.364290     -4.082851      3.879271
  N      -2.915529     -4.980924      4.981185
  C      -1.957999     -5.767937      4.187225
  C      -2.651211     -6.730449      3.232597
  H      -1.297054     -6.361464      4.846960
  H      -1.285966     -5.102867      3.609743
  H      -3.223445     -7.456024      3.816597
  H      -1.907292     -7.293822      2.633173
  H      -6.735167     -7.076478      2.950429
  H      -5.413215     -7.070794      4.103290
  H      -5.246492     -6.290961      1.148434
  H      -4.613116     -7.800015      1.859581
  H      -3.181298     -3.475360      0.186538
  H      -4.715265     -4.174042      0.693999
  H      -1.917007     -5.125046      1.486998
  H      -3.000896     -5.939815      0.329255
  C      -1.264615      0.318555      0.211130
  C      -1.168437     -0.349676      1.371326
  C      -0.388360      0.201654      2.532108
  C      -1.792676     -1.715330      1.559664
  C      -3.300502     -1.742523      1.985331
  C      -4.211246     -1.146305      0.896229
  C      -3.464102     -0.887267      3.237231
  C      -6.845723     -6.741742      6.587002
  C      -7.434061     -5.624333      6.124430
  C      -7.448646     -4.355800      6.933069
  C      -8.140356     -5.633485      4.790613
  C      -7.487441     -4.816479      3.619780
  C      -8.194548     -5.236259      2.313304
  C      -7.756390     -3.322106      3.783816
  C      -2.932176     -7.048851      8.918499
  C      -2.760997     -6.918209      7.595400
  C      -3.541583     -7.757023      6.635262
  C      -1.761551     -5.937657      7.040281
  C      -2.317652     -4.664616      6.325827
  C      -1.119376     -3.734570      6.078712
  C      -3.255635     -4.013702      7.343110
  H      -0.813765      1.304251      0.083242
  H      -1.795176     -0.099980     -0.646485
  H      -1.001527      0.252523      3.448301
  H       0.006010      1.204864      2.316811
  H       0.464511     -0.462556      2.767428
  H      -1.244086     -2.262794      2.342929
  H      -1.674522     -2.282175      0.626295
  H      -3.966714     -0.089264      0.729641
  H      -5.258146     -1.212202      1.227530
  H      -4.121843     -1.661913     -0.070050
  H      -4.503189     -0.890756      3.584948
  H      -2.838266     -1.248136      4.064981
  H      -3.174819      0.145845      3.000167
  H      -6.846380     -7.667723      6.007415
  H      -6.347170     -6.765408      7.557773
  H      -8.455707     -3.907397      6.936552
  H      -6.761473     -3.603264      6.516764
  H      -7.145894     -4.546186      7.971473
  H      -8.240948     -6.678650      4.461105
  H      -9.166148     -5.246163      4.918828
  H      -8.110590     -6.314200      2.108538
  H      -7.767345     -4.682058      1.464300
  H      -9.265334     -4.993696      2.382804
  H      -8.844131     -3.157491      3.808722
  H      -7.311565     -2.909041      4.689968
  H      -7.342317     -2.768784      2.929626
  H      -3.640571     -7.770428      9.333145
  H      -2.368946     -6.440328      9.629485
  H      -4.211402     -7.122189      6.035443
  H      -2.878124     -8.271745      5.926062
  H      -4.148218     -8.508126      7.161343
  H      -1.167656     -5.550556      7.880461
  H      -1.042932     -6.463624      6.382174
  H      -0.342480     -4.224704      5.471139
  H      -0.659632     -3.421648      7.027286
  H      -1.461839     -2.836126      5.547343
  H      -4.177583     -4.593541      7.456560
  H      -2.756535     -3.985170      8.324693
  H      -3.524364     -2.998361      7.056518
  N      -4.876186     -2.809178      4.833823
84
Coordinates from ORCA-job orca E -5420.834634968056
  N      -3.672991     -3.167528      2.254670
  C      -3.690068     -3.974877      1.020857
  C      -2.972673     -5.300398      1.216725
  N      -3.569198     -6.007987      2.349473
  C      -4.791560     -6.750755      2.034747
  C      -5.764133     -6.605253      3.196866
  N      -6.008441     -5.183075      3.489069
  Mo     -4.345033     -4.127899      3.882596
  N      -2.881435     -5.025911      4.959686
  C      -1.916979     -5.778087      4.135738
  C      -2.613325     -6.736399      3.181013
  H      -1.239798     -6.375922      4.763925
  H      -1.266279     -5.090567      3.561375
  H      -3.169329     -7.479460      3.766275
  H      -1.868412     -7.281793      2.567380
  H      -6.696847     -7.130866      2.947295
  H      -5.361353     -7.120391      4.086228
  H      -5.243683     -6.309742      1.134835
  H      -4.576995     -7.816289      1.819842
  H      -3.207438     -3.443964      0.188403
  H      -4.732307     -4.162301      0.699493
  H      -1.918035     -5.098395      1.453209
  H      -3.002239     -5.910587      0.292377
  C      -1.327363      0.334330      0.212921
  C      -1.191720     -0.357072      1.354267
  C      -0.348448      0.159272      2.488041
  C      -1.827584     -1.717398      1.542719
  C      -3.321790     -1.741557      2.017749
  C      -4.261667     -1.124556      0.966118
  C      -3.445893     -0.905675      3.288397
  C      -6.820879     -6.721917      6.636691
  C      -7.381755     -5.600354      6.156841
  C      -7.348539     -4.319782      6.945366
  C      -8.101516     -5.620265      4.831396
  C      -7.452065     -4.838904      3.639218
  C      -8.208030     -5.229434      2.349884
  C      -7.656521     -3.330319      3.795099
  C      -3.146487     -7.008893      8.909331
  C      -2.837467     -6.912977      7.607091
  C      -3.474606     -7.812984      6.591170
  C      -1.815160     -5.916412      7.124676
  C      -2.329345     -4.675139      6.311818
  C      -1.133194     -3.721282      6.124633
  C      -3.363954     -3.990698      7.204844
  H      -0.865894      1.315621      0.084188
  H      -1.901571     -0.058293     -0.628712
  H      -0.914731      0.198308      3.431212
  H       0.048641      1.161057      2.275345
  H       0.502255     -0.520467      2.666512
  H      -1.258868     -2.285476      2.296155
  H      -1.749678     -2.270327      0.595633
  H      -4.018836     -0.065105      0.811785
  H      -5.299411     -1.194763      1.323515
  H      -4.198910     -1.625469     -0.009746
  H      -4.474057     -0.912365      3.666826
  H      -2.796422     -1.282004      4.090814
  H      -3.161382      0.130612      3.060306
  H      -6.849010     -7.657246      6.073362
  H      -6.315201     -6.738986      7.604207
  H      -8.337548     -3.834772      6.955033
  H      -6.640001     -3.599245      6.507692
  H      -7.037411     -4.506277      7.982177
  H      -8.226010     -6.669729      4.522814
  H      -9.119199     -5.212919      4.964563
  H      -8.182945     -6.306926      2.138745
  H      -7.778964     -4.693401      1.491078
  H      -9.264898     -4.940251      2.444218
  H      -8.734411     -3.118050      3.840427
  H      -7.173944     -2.924619      4.686228
  H      -7.236338     -2.804051      2.925170
  H      -3.873644     -7.739934      9.270165
  H      -2.684011     -6.356825      9.653459
  H      -4.083633     -7.220545      5.891850
  H      -2.710054     -8.331312      5.990281
  H      -4.117392     -8.565287      7.067786
  H      -1.307518     -5.492352      8.003400
  H      -1.032351     -6.446927      6.557403
  H      -0.302084     -4.204016      5.589718
  H      -0.754740     -3.378157      7.098451
  H      -1.454998     -2.842885      5.547199
  H      -4.286195     -4.581739      7.266632
  H      -2.952566     -3.895565      8.220335
  H      -3.621157     -2.995576      6.832109
  N      -4.866403     -2.885647      4.872517
84
Coordinates from ORCA-job orca E -5420.834782496181
  N      -3.662108     -3.181305      2.256891
  C      -3.676582     -3.990162      1.023947
  C      -2.966156     -5.320072      1.224733
  N      -3.575680     -6.025599      2.352751
  C      -4.803752     -6.755903      2.027823
  C      -5.781862     -6.606243      3.184994
  N      -6.011619     -5.182993      3.486912
  Mo     -4.342213     -4.141738      3.881648
  N      -2.889794     -5.049294      4.958436
  C      -1.928164     -5.814543      4.145057
  C      -2.632592     -6.766222      3.190261
  H      -1.259831     -6.416775      4.778227
  H      -1.267838     -5.135900      3.571024
  H      -3.201640     -7.501025      3.776459
  H      -1.892221     -7.322416      2.581192
  H      -6.718197     -7.120482      2.927924
  H      -5.388739     -7.132208      4.073589
  H      -5.247082     -6.308359      1.126667
  H      -4.597176     -7.822511      1.810771
  H      -3.187954     -3.461920      0.192823
  H      -4.718189     -4.173451      0.698023
  H      -1.911884     -5.124085      1.468300
  H      -2.992802     -5.929299      0.299545
  C      -1.327000      0.336573      0.219620
  C      -1.186618     -0.357822      1.358911
  C      -0.344665      0.159843      2.493394
  C      -1.818879     -1.719834      1.544861
  C      -3.315778     -1.751006      2.019044
  C      -4.258208     -1.137721      0.967917
  C      -3.446043     -0.916493      3.289095
  C      -6.848119     -6.790810      6.581051
  C      -7.388978     -5.644042      6.141680
  C      -7.336218     -4.397070      6.981206
  C      -8.108943     -5.606561      4.815632
  C      -7.443399     -4.812410      3.642792
  C      -8.214441     -5.153317      2.347142
  C      -7.601673     -3.300982      3.830449
  C      -3.106683     -6.959008      8.936972
  C      -2.802924     -6.884212      7.631745
  C      -3.431029     -7.808936      6.629359
  C      -1.803369     -5.878065      7.123720
  C      -2.347045     -4.661255      6.293454
  C      -1.173107     -3.680629      6.096764
  C      -3.420613     -3.980955      7.142781
  H      -0.869129      1.319972      0.092759
  H      -1.901218     -0.055660     -0.622126
  H      -0.908172      0.190679      3.437573
  H       0.044993      1.165076      2.284267
  H       0.510752     -0.513999      2.666645
  H      -1.248456     -2.287565      2.297015
  H      -1.738930     -2.270029      0.596303
  H      -4.021989     -0.076259      0.816721
  H      -5.295668     -1.215924      1.324400
  H      -4.190271     -1.636675     -0.008421
  H      -4.475013     -0.928128      3.665196
  H      -2.796513     -1.291560      4.092034
  H      -3.165546      0.121001      3.061835
  H      -6.889218     -7.705084      5.984795
  H      -6.346472     -6.851370      7.549281
  H      -8.316430     -3.895618      7.009095
  H      -6.612363     -3.673226      6.575547
  H      -7.031627     -4.631080      8.010360
  H      -8.258698     -6.644417      4.479263
  H      -9.116255     -5.177734      4.959622
  H      -8.230637     -6.226586      2.116806
  H      -7.766568     -4.618832      1.497010
  H      -9.259570     -4.826660      2.447572
  H      -8.672345     -3.056466      3.883126
  H      -7.105383     -2.928237      4.728576
  H      -7.167071     -2.769595      2.970329
  H      -3.818583     -7.696542      9.314183
  H      -2.656483     -6.282194      9.666335
  H      -4.059930     -7.239665      5.927837
  H      -2.659420     -8.317673      6.027792
  H      -4.053947     -8.569373      7.118372
  H      -1.291939     -5.428978      7.987783
  H      -1.019959     -6.406794      6.556385
  H      -0.331007     -4.147551      5.565509
  H      -0.801976     -3.320520      7.067126
  H      -1.515679     -2.814486      5.512232
  H      -4.326751     -4.598153      7.204718
  H      -3.035270     -3.839524      8.162289
  H      -3.701840     -3.006374      6.728885
  N      -4.855631     -2.903357      4.880581
84
Coordinates from ORCA-job orca E -5420.834992170789
  N      -3.670414     -3.172921      2.258287
  C      -3.683064     -3.979632      1.024076
  C      -2.968524     -5.307180      1.222244
  N      -3.572066     -6.015667      2.351365
  C      -4.796561     -6.753325      2.030088
  C      -5.772884     -6.608363      3.189406
  N      -6.010733     -5.186287      3.488100
  Mo     -4.345923     -4.136612      3.883181
  N      -2.888558     -5.039735      4.959885
  C      -1.923313     -5.795970      4.141904
  C      -2.622377     -6.750210      3.185597
  H      -1.251368     -6.396567      4.772295
  H      -1.267409     -5.111468      3.569709
  H      -3.184723     -7.490432      3.770361
  H      -1.878872     -7.299691      2.574200
  H      -6.707037     -7.128574      2.934730
  H      -5.374964     -7.129866      4.078061
  H      -5.244514     -6.308515      1.129908
  H      -4.584542     -7.818859      1.812796
  H      -3.195528     -3.448678      0.194070
  H      -4.724148     -4.165044      0.697771
  H      -1.914511     -5.107501      1.463773
  H      -2.994886     -5.915971      0.296786
  C      -1.329025      0.331533      0.213941
  C      -1.188827     -0.361359      1.353991
  C      -0.339195      0.152918      2.484192
  C      -1.826321     -1.720495      1.544035
  C      -3.320881     -1.744621      2.022142
  C      -4.262686     -1.127231      0.972651
  C      -3.444514     -0.909514      3.292910
  C      -6.820925     -6.738316      6.620174
  C      -7.374620     -5.607905      6.154285
  C      -7.325933     -4.337581      6.958277
  C      -8.100171     -5.608873      4.831285
  C      -7.447952     -4.828196      3.641554
  C      -8.215417     -5.201778      2.353542
  C      -7.627953     -3.316793      3.805050
  C      -3.137125     -6.998743      8.913549
  C      -2.820472     -6.907204      7.612554
  C      -3.435344     -7.822557      6.594267
  C      -1.814231     -5.895952      7.127431
  C      -2.348021     -4.669064      6.305591
  C      -1.168424     -3.693039      6.122410
  C      -3.412417     -3.995049      7.171027
  H      -0.866304      1.312192      0.083784
  H      -1.907976     -0.059194     -0.625258
  H      -0.899392      0.189746      3.430358
  H       0.056529      1.155041      2.271363
  H       0.512228     -0.526643      2.655990
  H      -1.256255     -2.289441      2.295634
  H      -1.751408     -2.273142      0.596364
  H      -4.022240     -0.066787      0.821176
  H      -5.299996     -1.200934      1.330593
  H      -4.198794     -1.625987     -0.004165
  H      -4.472440     -0.917468      3.672020
  H      -2.794141     -1.286203      4.094276
  H      -3.161195      0.127083      3.064857
  H      -6.858063     -7.668036      6.048171
  H      -6.311783     -6.768892      7.585851
  H      -8.309789     -3.842873      6.978676
  H      -6.610995     -3.619580      6.527008
  H      -7.012363     -4.540220      7.991332
  H      -8.237522     -6.654905      4.516111
  H      -9.112372     -5.190057      4.970465
  H      -8.212332     -6.278768      2.139634
  H      -7.778942     -4.672164      1.494529
  H      -9.266134     -4.892523      2.451742
  H      -8.702136     -3.087336      3.856256
  H      -7.134956     -2.922529      4.695588
  H      -7.202984     -2.793454      2.935418
  H      -3.853480     -7.740271      9.274312
  H      -2.692825     -6.332319      9.655937
  H      -4.051943     -7.245205      5.888658
  H      -2.656547     -8.327859      5.999482
  H      -4.066920     -8.585709      7.067783
  H      -1.313378     -5.457674      8.003205
  H      -1.023760     -6.417701      6.563747
  H      -0.326523     -4.160060      5.590691
  H      -0.799861     -3.343032      7.097501
  H      -1.504220     -2.820613      5.543627
  H      -4.322721     -4.606139      7.226188
  H      -3.021182     -3.874496      8.191525
  H      -3.686613     -3.011783      6.776458
  N      -4.864922     -2.899555      4.880862
84
Coordinates from ORCA-job orca E -5420.834756079637
  N      -3.666726     -3.180677      2.265229
  C      -3.684438     -3.985764      1.030289
  C      -2.971598     -5.314187      1.225419
  N      -3.576851     -6.023258      2.352638
  C      -4.802795     -6.756786      2.028080
  C      -5.780521     -6.610794      3.185490
  N      -6.011988     -5.188436      3.489148
  Mo     -4.344598     -4.145213      3.889449
  N      -2.888436     -5.056115      4.964954
  C      -1.927735     -5.810431      4.139464
  C      -2.630659     -6.762977      3.184669
  H      -1.249963     -6.410783      4.763983
  H      -1.276022     -5.124390      3.564116
  H      -3.195529     -7.499963      3.770398
  H      -1.890877     -7.316370      2.572063
  H      -6.716243     -7.125375      2.927597
  H      -5.387054     -7.138011      4.072697
  H      -5.247510     -6.309325      1.127649
  H      -4.593586     -7.822518      1.809511
  H      -3.199025     -3.454799      0.199315
  H      -4.726542     -4.169939      0.706764
  H      -1.917128     -5.117357      1.467157
  H      -2.999224     -5.920346      0.298241
  C      -1.358525      0.358654      0.237254
  C      -1.199811     -0.355390      1.361981
  C      -0.335573      0.139665      2.489438
  C      -1.832141     -1.718981      1.536917
  C      -3.321574     -1.751415      2.029867
  C      -4.276766     -1.133862      0.992599
  C      -3.433378     -0.922571      3.305682
  C      -6.908081     -6.769722      6.594590
  C      -7.443548     -5.630987      6.127629
  C      -7.415926     -4.370352      6.947727
  C      -8.131673     -5.614926      4.784192
  C      -7.447370     -4.819982      3.623456
  C      -8.196202     -5.162697      2.314901
  C      -7.616714     -3.310242      3.810377
  C      -3.082848     -6.940767      8.953007
  C      -2.778839     -6.882097      7.647408
  C      -3.408895     -7.817068      6.657956
  C      -1.775721     -5.885311      7.127709
  C      -2.317032     -4.668241      6.296739
  C      -1.132405     -3.707858      6.070440
  C      -3.348599     -3.971797      7.183217
  H      -0.899984      1.342589      0.118704
  H      -1.948073     -0.018111     -0.600950
  H      -0.879331      0.147185      3.446393
  H       0.046520      1.150812      2.294258
  H       0.526049     -0.535324      2.629485
  H      -1.253238     -2.297832      2.274207
  H      -1.764432     -2.255945      0.579971
  H      -4.040595     -0.072706      0.839823
  H      -5.309412     -1.210283      1.363086
  H      -4.223229     -1.631968      0.014790
  H      -4.457825     -0.931309      3.693942
  H      -2.776604     -1.304522      4.099475
  H      -3.151085      0.114829      3.080130
  H      -6.936008     -7.692539      6.010932
  H      -6.428942     -6.816436      7.574820
  H      -8.398411     -3.872475      6.942428
  H      -6.684644     -3.650604      6.548250
  H      -7.137114     -4.585999      7.988104
  H      -8.258981     -6.657154      4.453014
  H      -9.147468     -5.197853      4.900119
  H      -8.211113     -6.237027      2.088697
  H      -7.730773     -4.632940      1.471064
  H      -9.241873     -4.832017      2.394081
  H      -8.689511     -3.072740      3.850505
  H      -7.133830     -2.936096      4.714919
  H      -7.175278     -2.775057      2.956489
  H      -3.797592     -7.672159      9.337239
  H      -2.629655     -6.258481      9.675270
  H      -4.039226     -7.255515      5.951178
  H      -2.640378     -8.333337      6.060057
  H      -4.030975     -8.572082      7.156804
  H      -1.257287     -5.436293      7.987587
  H      -0.997948     -6.420230      6.558915
  H      -0.314532     -4.188495      5.513720
  H      -0.727013     -3.358100      7.030937
  H      -1.475893     -2.833973      5.498639
  H      -4.261537     -4.573620      7.275934
  H      -2.925484     -3.840648      8.189929
  H      -3.625811     -2.992180      6.784149
  N      -4.858837     -2.905977      4.886692
84
Coordinates from ORCA-job orca E -5420.834997954926
  N      -3.667765     -3.176272      2.254832
  C      -3.684061     -3.984387      1.021687
  C      -2.972028     -5.313052      1.220724
  N      -3.575955     -6.018647      2.351344
  C      -4.802176     -6.754026      2.031710
  C      -5.776995     -6.606100      3.191746
  N      -6.011377     -5.183274      3.489793
  Mo     -4.344018     -4.136407      3.881642
  N      -2.887530     -5.041422      4.958296
  C      -1.925104     -5.800844      4.139805
  C      -2.627616     -6.754543      3.185537
  H      -1.253612     -6.402340      4.769632
  H      -1.268227     -5.118655      3.565947
  H      -3.191427     -7.492263      3.771995
  H      -1.886313     -7.307126      2.574190
  H      -6.712423     -7.124382      2.938423
  H      -5.379271     -7.128002      4.080354
  H      -5.249982     -6.308908      1.131621
  H      -4.592525     -7.820131      1.814977
  H      -3.196781     -3.455735      0.190156
  H      -4.726015     -4.168189      0.697331
  H      -1.917277     -5.115505      1.460739
  H      -3.000893     -5.922886      0.296006
  C      -1.321929      0.333562      0.219915
  C      -1.186417     -0.359921      1.360347
  C      -0.345483      0.155997      2.496290
  C      -1.821640     -1.720515      1.546207
  C      -3.318860     -1.747731      2.016832
  C      -4.257403     -1.133939      0.962335
  C      -3.449747     -0.911487      3.285904
  C      -6.834237     -6.753078      6.610478
  C      -7.385942     -5.618938      6.151252
  C      -7.343534     -4.355779      6.966781
  C      -8.105384     -5.609612      4.824762
  C      -7.447501     -4.822219      3.642927
  C      -8.213270     -5.185555      2.350731
  C      -7.624696     -3.311415      3.815266
  C      -3.127461     -6.986229      8.918904
  C      -2.811707     -6.899538      7.617438
  C      -3.426513     -7.819092      6.602891
  C      -1.806609     -5.889532      7.127177
  C      -2.342325     -4.665978      6.301481
  C      -1.162348     -3.691847      6.110576
  C      -3.401993     -3.987898      7.169351
  H      -0.861064      1.315489      0.093140
  H      -1.894763     -0.058131     -0.623047
  H      -0.911490      0.189338      3.439307
  H       0.047628      1.159943      2.287091
  H       0.507614     -0.520628      2.672209
  H      -1.254347     -2.288287      2.300809
  H      -1.740346     -2.272560      0.598863
  H      -4.018383     -0.073302      0.810233
  H      -5.296056     -1.209183      1.315943
  H      -4.188179     -1.634393     -0.013228
  H      -4.479524     -0.920655      3.659990
  H      -2.802790     -1.286591      4.090830
  H      -3.166790      0.125214      3.057937
  H      -6.868557     -7.678074      6.030730
  H      -6.330955     -6.792023      7.578871
  H      -8.328318     -3.862854      6.986512
  H      -6.627373     -3.633049      6.545691
  H      -7.035132     -4.567180      7.999647
  H      -8.242421     -6.653315      4.501931
  H      -9.117744     -5.190600      4.962310
  H      -8.213604     -6.261240      2.130480
  H      -7.772713     -4.652569      1.495871
  H      -9.263065     -4.873070      2.447727
  H      -8.698412     -3.080059      3.865981
  H      -7.132566     -2.923563      4.708950
  H      -7.197117     -2.783677      2.949591
  H      -3.842864     -7.727238      9.282664
  H      -2.683173     -6.316724      9.658508
  H      -4.048860     -7.246198      5.898559
  H      -2.647926     -8.321975      6.005937
  H      -4.052851     -8.584597      7.079696
  H      -1.304939     -5.447694      8.000678
  H      -1.016521     -6.413050      6.564841
  H      -0.323882     -4.161146      5.575404
  H      -0.788352     -3.340600      7.083161
  H      -1.499876     -2.820151      5.531743
  H      -4.312599     -4.597741      7.230747
  H      -3.006017     -3.864533      8.187707
  H      -3.676774     -3.005607      6.773030
  N      -4.858551     -2.896267      4.877821
84
Coordinates from ORCA-job orca E -5420.834993970903
  N      -3.672054     -3.172081      2.259657
  C      -3.682665     -3.977873      1.024907
  C      -2.967423     -5.305033      1.222764
  N      -3.571194     -6.014793      2.350832
  C      -4.795197     -6.752592      2.027869
  C      -5.771833     -6.610271      3.187158
  N      -6.009901     -5.188941      3.489103
  Mo     -4.346224     -4.137843      3.884204
  N      -2.888538     -5.042111      4.959868
  C      -1.922997     -5.797443      4.141843
  C      -2.621941     -6.750530      3.184293
  H      -1.251099     -6.398638      4.772056
  H      -1.266747     -5.112471      3.570580
  H      -3.184578     -7.491144      3.768156
  H      -1.878593     -7.299814      2.572486
  H      -6.705742     -7.130047      2.931182
  H      -5.373975     -7.133810      4.074678
  H      -5.243076     -6.306437      1.128326
  H      -4.582463     -7.817590      1.808719
  H      -3.194056     -3.446002      0.196113
  H      -4.723134     -4.163599      0.696863
  H      -1.913660     -5.105078      1.465167
  H      -2.992764     -5.912953      0.296682
  C      -1.334741      0.334563      0.216175
  C      -1.189804     -0.362522      1.353136
  C      -0.333414      0.146248      2.480684
  C      -1.828707     -1.721113      1.542122
  C      -3.321719     -1.743753      2.024825
  C      -4.265845     -1.123675      0.978944
  C      -3.440492     -0.910515      3.297244
  C      -6.827433     -6.746971      6.618331
  C      -7.381051     -5.616364      6.152822
  C      -7.337611     -4.347776      6.959849
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84
Coordinates from ORCA-job orca E -5420.835004483462
  N      -3.670211     -3.174195      2.255504
  C      -3.683834     -3.981231      1.021639
  C      -2.970352     -5.309212      1.220116
  N      -3.573757     -6.016556      2.349894
  C      -4.799011     -6.753180      2.029264
  C      -5.773944     -6.608357      3.189622
  N      -6.010275     -5.186332      3.489753
  Mo     -4.344690     -4.136803      3.881679
  N      -2.887175     -5.041334      4.957326
  C      -1.923589     -5.799415      4.139261
  C      -2.624687     -6.752463      3.183255
  H      -1.252514     -6.401241      4.769446
  H      -1.266368     -5.116337      3.566860
  H      -3.187687     -7.491826      3.768336
  H      -1.882556     -7.303244      2.571294
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  H      -5.247492     -6.307289      1.129892
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  H      -3.195751     -3.451149      0.191445
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  H      -1.915937     -5.110622      1.460790
  H      -2.998009     -5.918310      0.294867
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  C      -0.342743      0.154272      2.493187
  C      -1.823644     -1.720446      1.546956
  C      -3.320317     -1.745690      2.019032
  C      -4.258810     -1.129745      0.965704
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  C      -2.342585     -4.667018      6.300765
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  H      -3.859324     -7.721442      9.279077
  H      -2.695245     -6.315043      9.656904
  H      -4.047714     -7.240454      5.889306
  H      -2.657859     -8.328515      6.010839
  H      -4.073433     -8.574879      7.074599
  H      -1.309403     -5.452208      8.000948
  H      -1.022514     -6.418575      6.565282
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  H      -4.313293     -4.592635      7.228650
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  H      -3.672869     -3.002582      6.770165
  N      -4.860777     -2.898581      4.879451
84
Coordinates from ORCA-job orca E -5420.834019389975
  N      -3.649244     -3.196940      2.214294
  C      -3.692350     -4.015964      0.989498
  C      -2.997314     -5.352263      1.194777
  N      -3.598888     -6.035154      2.340359
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  C      -5.795866     -6.588594      3.210047
  N      -6.013018     -5.158649      3.494305
  Mo     -4.328907     -4.127499      3.855844
  N      -2.874825     -5.035926      4.932578
  C      -1.931190     -5.822455      4.115176
  C      -2.653631     -6.774045      3.173812
  H      -1.269689     -6.431209      4.745766
  H      -1.263176     -5.159209      3.532177
  H      -3.221740     -7.500182      3.770274
  H      -1.923677     -7.340524      2.561291
  H      -6.738292     -7.100326      2.972919
  H      -5.392771     -7.104789      4.100081
  H      -5.289583     -6.313181      1.142879
  H      -4.643080     -7.828190      1.829224
  H      -3.208918     -3.503908      0.145943
  H      -4.741041     -4.188285      0.681391
  H      -1.936804     -5.168220      1.419618
  H      -3.047440     -5.972572      0.277896
  C      -1.217647      0.314454      0.251732
  C      -1.163519     -0.340028      1.422488
  C      -0.447466      0.238745      2.612726
  C      -1.774912     -1.711496      1.598492
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  C      -4.182608     -1.193941      0.834879
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  H      -0.775857      1.306012      0.133577
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  H      -7.126981     -2.902971      4.757413
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  H      -3.796078     -7.729984      9.286962
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  H      -2.660841     -8.285863      5.969960
  H      -4.026744     -8.587143      7.082184
  H      -1.283730     -5.439857      7.979754
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  H      -0.783123     -3.330271      7.067699
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  H      -4.291872     -4.599501      7.220484
  H      -2.976221     -3.887573      8.180720
  H      -3.648980     -3.004570      6.782664
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84
Coordinates from ORCA-job orca E -5420.834988981273
  N      -3.669753     -3.177168      2.250039
  C      -3.685763     -3.985723      1.017178
  C      -2.975711     -5.315306      1.217095
  N      -3.580216     -6.019324      2.348352
  C      -4.807278     -6.753608      2.029593
  C      -5.780683     -6.605697      3.190752
  N      -6.014025     -5.182570      3.489209
  Mo     -4.345877     -4.135956      3.877680
  N      -2.889178     -5.040825      4.953854
  C      -1.928336     -5.803233      4.136217
  C      -2.632358     -6.756028      3.182226
  H      -1.258987     -6.406186      4.766655
  H      -1.269278     -5.123128      3.562393
  H      -3.196599     -7.493340      3.768779
  H      -1.891775     -7.309174      2.570516
  H      -6.716501     -7.123443      2.938067
  H      -5.382306     -7.127978      4.078894
  H      -5.255810     -6.307349      1.130420
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  H      -3.196638     -3.458174      0.186055
  H      -4.727640     -4.167965      0.691743
  H      -1.920587     -5.119160      1.456670
  H      -3.005785     -5.925821      0.292861
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  C      -0.356330      0.163550      2.516359
  C      -1.816057     -1.721745      1.558539
  C      -3.318800     -1.748550      2.011956
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  H      -7.133564     -2.921293      4.709379
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  H      -1.301039     -5.444237      7.994196
  H      -1.013999     -6.410183      6.558802
  H      -0.327171     -4.154233      5.571474
  H      -0.794118     -3.335273      7.079417
  H      -1.507227     -2.816932      5.527931
  H      -4.313650     -4.603264      7.228834
  H      -3.007428     -3.869769      8.186026
  H      -3.681391     -3.008760      6.774178
  N      -4.858764     -2.894793      4.873485
84
Coordinates from ORCA-job orca E -5420.834977098735
  N      -3.670970     -3.171619      2.256024
  C      -3.682593     -3.978578      1.022292
  C      -2.966647     -5.305158      1.220970
  N      -3.568607     -6.013617      2.350754
  C      -4.792976     -6.751832      2.030114
  C      -5.767407     -6.609637      3.191025
  N      -6.005553     -5.188016      3.493069
  Mo     -4.341986     -4.135319      3.883257
  N      -2.882771     -5.039251      4.957751
  C      -1.918173     -5.795685      4.139820
  C      -2.618438     -6.748890      3.183298
  H      -1.246668     -6.397296      4.770151
  H      -1.261294     -5.111714      3.568108
  H      -3.180275     -7.489278      3.768108
  H      -1.875959     -7.298755      2.570903
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  H      -5.242548     -6.305693      1.131416
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  H      -3.194743     -3.447681      0.192425
  H      -4.723295     -4.164990      0.695448
  H      -1.912583     -5.104724      1.461662
  H      -2.993160     -5.914203      0.295619
  C      -1.333794      0.337221      0.214926
  C      -1.188999     -0.360579      1.351614
  C      -0.333851      0.148037      2.480184
  C      -1.826808     -1.719668      1.539688
  C      -3.320864     -1.743385      2.020017
  C      -4.264337     -1.125186      0.972353
  C      -3.442310     -0.910357      3.292180
  C      -6.816820     -6.753398      6.620240
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  C      -7.442937     -4.832440      3.649188
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  C      -7.625016     -3.322642      3.825528
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  H      -0.870600      1.317828      0.086503
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  H      -0.888802      0.177860      3.429889
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  H      -1.256207     -2.290385      2.289565
  H      -1.753538     -2.270585      0.590934
  H      -4.024935     -0.064332      0.822577
  H      -5.301273     -1.200473      1.330963
  H      -4.200505     -1.622680     -0.005079
  H      -4.469912     -0.918578      3.672382
  H      -2.791634     -1.289118      4.092399
  H      -3.158793      0.126383      3.065165
  H      -6.834869     -7.678481      6.039874
  H      -6.317518     -6.786191      7.590851
  H      -8.348352     -3.882405      6.991185
  H      -6.648499     -3.631268      6.557166
  H      -7.050524     -4.571015      8.008966
  H      -8.221553     -6.670705      4.507587
  H      -9.112966     -5.216334      4.964225
  H      -8.207672     -6.270127      2.134684
  H      -7.771594     -4.659060      1.502875
  H      -9.260174     -4.885260      2.455801
  H      -8.699295     -3.095322      3.881050
  H      -7.130498     -2.935044      4.717951
  H      -7.202550     -2.791575      2.959355
  H      -3.905770     -7.703913      9.263927
  H      -2.734845     -6.305906      9.652545
  H      -4.039257     -7.226577      5.863467
  H      -2.671213     -8.336913      6.019916
  H      -4.111948     -8.552390      7.056449
  H      -1.321164     -5.458793      8.008302
  H      -1.032133     -6.427033      6.573865
  H      -0.311820     -4.189009      5.574884
  H      -0.766093     -3.360404      7.081390
  H      -1.469576     -2.832244      5.528706
  H      -4.307497     -4.568569      7.226622
  H      -2.993477     -3.846292      8.181560
  H      -3.652035     -2.986693      6.761793
  N      -4.858210     -2.897488      4.881396
84
Coordinates from ORCA-job orca E -5420.835002660501
  N      -3.673721     -3.172175      2.256245
  C      -3.683936     -3.978338      1.021935
  C      -2.971314     -5.306702      1.221291
  N      -3.576618     -6.014398      2.349874
  C      -4.801581     -6.750707      2.027352
  C      -5.777491     -6.607239      3.187080
  N      -6.014131     -5.185520      3.488556
  Mo     -4.349184     -4.135678      3.881492
  N      -2.892256     -5.039934      4.957980
  C      -1.928117     -5.798201      4.140823
  C      -2.628560     -6.750845      3.183978
  H      -1.258059     -6.400526      4.771541
  H      -1.270004     -5.115258      3.569274
  H      -3.192287     -7.490268      3.768361
  H      -1.885932     -7.301548      2.572568
  H      -6.711966     -7.126178      2.931555
  H      -5.379746     -7.130737      4.074725
  H      -5.249434     -6.303797      1.128159
  H      -4.590205     -7.815926      1.807909
  H      -3.192849     -3.447620      0.193739
  H      -4.724267     -4.162122      0.692407
  H      -1.917271     -5.108416      1.463859
  H      -2.997473     -5.915474      0.295788
  C      -1.316181      0.323758      0.218055
  C      -1.182200     -0.367586      1.359905
  C      -0.336655      0.146922      2.493062
  C      -1.823552     -1.724713      1.550069
  C      -3.320719     -1.744417      2.020631
  C      -4.255789     -1.126560      0.965380
  C      -3.449704     -0.908033      3.289823
  C      -6.827600     -6.753406      6.611997
  C      -7.380205     -5.620164      6.151813
  C      -7.332198     -4.354568      6.963316
  C      -8.104447     -5.613185      4.828009
  C      -7.450516     -4.826868      3.643442
  C      -8.218383     -5.192588      2.353055
  C      -7.629331     -3.316156      3.814716
  C      -3.126327     -6.985748      8.918907
  C      -2.811360     -6.898813      7.617294
  C      -3.424171     -7.820222      6.603262
  C      -1.809056     -5.886505      7.125901
  C      -2.348379     -4.663781      6.301113
  C      -1.171083     -3.686276      6.110582
  C      -3.410034     -3.989045      7.169170
  H      -0.850690      1.303100      0.088118
  H      -1.892547     -0.067046     -0.622900
  H      -0.900900      0.185910      3.436822
  H       0.061527      1.148144      2.280482
  H       0.513024     -0.533765      2.669471
  H      -1.258874     -2.293018      2.306181
  H      -1.745495     -2.280344      0.604378
  H      -4.013929     -0.066159      0.816134
  H      -5.295436     -1.200161      1.316483
  H      -4.185505     -1.624836     -0.011210
  H      -4.479730     -0.914575      3.663338
  H      -2.804344     -1.284833      4.095112
  H      -3.163952      0.127946      3.062015
  H      -6.864377     -7.680169      6.035180
  H      -6.320184     -6.789772      7.578359
  H      -8.316563     -3.861008      6.987346
  H      -6.618128     -3.633454      6.535924
  H      -7.017782     -4.563053      7.994945
  H      -8.242410     -6.657401      4.507212
  H      -9.116307     -5.194004      4.968462
  H      -8.217098     -6.268412      2.133388
  H      -7.780682     -4.659315      1.496895
  H      -9.268635     -4.882119      2.451922
  H      -8.703241     -3.086023      3.867491
  H      -7.135577     -2.926743      4.706942
  H      -7.204120     -2.788743      2.947675
  H      -3.839827     -7.728304      9.283211
  H      -2.683425     -6.314775      9.658014
  H      -4.044956     -7.248486      5.896712
  H      -2.644257     -8.323995      6.008707
  H      -4.051653     -8.585071      7.079675
  H      -1.307590     -5.443465      7.998921
  H      -1.018193     -6.408191      6.562792
  H      -0.332000     -4.152611      5.573824
  H      -0.797032     -3.335459      7.083269
  H      -1.511487     -2.814619      5.533283
  H      -4.318833     -4.601687      7.230573
  H      -3.014297     -3.864749      8.187485
  H      -3.687909     -3.007483      6.773084
  N      -4.866317     -2.898067      4.879487
84
Coordinates from ORCA-job orca E -5420.835005179680
  N      -3.671658     -3.175676      2.252881
  C      -3.684775     -3.983131      1.019297
  C      -2.972579     -5.311693      1.218561
  N      -3.576665     -6.017962      2.348597
  C      -4.802605     -6.753585      2.028211
  C      -5.776851     -6.608738      3.189077
  N      -6.012004     -5.186507      3.489875
  Mo     -4.345868     -4.137482      3.879723
  N      -2.888386     -5.042497      4.955075
  C      -1.925850     -5.802282      4.137423
  C      -2.628222     -6.754731      3.181819
  H      -1.255865     -6.405022      4.767803
  H      -1.267425     -5.120473      3.564882
  H      -3.191760     -7.493448      3.767230
  H      -1.886843     -7.306408      2.569744
  H      -6.711987     -7.127090      2.935105
  H      -5.378373     -7.132034      4.076517
  H      -5.251295     -6.306732      1.129414
  H      -4.592342     -7.819061      1.808964
  H      -3.195382     -3.453903      0.189392
  H      -4.725885     -4.166836      0.692230
  H      -1.917986     -5.114013      1.459214
  H      -3.000754     -5.921198      0.293583
  C      -1.313763      0.329769      0.225810
  C      -1.184582     -0.361209      1.368520
  C      -0.350229      0.157326      2.508113
  C      -1.820997     -1.721178      1.554193
  C      -3.320900     -1.746901      2.016387
  C      -4.253131     -1.132642      0.956508
  C      -3.458482     -0.909716      3.284009
  C      -6.827058     -6.747550      6.618664
  C      -7.379890     -5.615580      6.155563
  C      -7.334693     -4.348689      6.965141
  C      -8.102552     -5.611415      4.830718
  C      -7.448038     -4.826657      3.645431
  C      -8.216952     -5.192740      2.355619
  C      -7.625676     -3.315615      3.815257
  C      -3.131511     -6.983390      8.916557
  C      -2.814931     -6.898447      7.615232
  C      -3.430876     -7.817279      6.600863
  C      -1.808148     -5.890483      7.123994
  C      -2.342598     -4.666554      6.297690
  C      -1.161433     -3.694144      6.105194
  C      -3.400818     -3.986343      7.165662
  H      -0.852096      1.311352      0.099356
  H      -1.882008     -0.063727     -0.619414
  H      -0.921893      0.193251      3.447636
  H       0.044415      1.160624      2.298669
  H       0.501597     -0.519098      2.690920
  H      -1.258463     -2.287149      2.313677
  H      -1.734764     -2.276034      0.608920
  H      -4.014172     -0.071504      0.807966
  H      -5.294090     -1.209636      1.302891
  H      -4.176646     -1.631122     -0.019449
  H      -4.490250     -0.919183      3.652657
  H      -2.815794     -1.283774      4.092697
  H      -3.174906      0.126914      3.056417
  H      -6.861862     -7.675391      6.043518
  H      -6.321511     -6.781832      7.586038
  H      -8.319725     -3.856331      6.986945
  H      -6.620816     -3.627484      6.537640
  H      -7.021593     -4.555173      7.997586
  H      -8.239723     -6.656221      4.511601
  H      -9.114719     -5.192432      4.969455
  H      -8.216560     -6.268697      2.136695
  H      -7.779259     -4.660412      1.498861
  H      -9.266917     -4.881442      2.454575
  H      -8.699334     -3.084740      3.868799
  H      -7.130830     -2.925572      4.706529
  H      -7.200879     -2.789436      2.947261
  H      -3.848704     -7.722670      9.280300
  H      -2.686247     -6.314214      9.655871
  H      -4.046109     -7.242408      5.891975
  H      -2.652694     -8.326731      6.008884
  H      -4.064626     -8.577536      7.076258
  H      -1.305673     -5.448690      7.997046
  H      -1.018911     -6.415626      6.561874
  H      -0.324601     -4.164660      5.568537
  H      -0.785383     -3.343684      7.077258
  H      -1.498575     -2.821873      5.526949
  H      -4.311975     -4.595196      7.228674
  H      -3.003698     -3.862307      8.183468
  H      -3.675019     -3.004170      6.768638
  N      -4.860392     -2.898422      4.877272
84
Coordinates from ORCA-job orca E -5420.835007713499
  N      -3.673046     -3.173664      2.253568
  C      -3.684678     -3.980877      1.019880
  C      -2.972357     -5.309312      1.219590
  N      -3.576868     -6.015816      2.349266
  C      -4.802430     -6.751786      2.028317
  C      -5.776977     -6.607592      3.188985
  N      -6.012903     -5.185494      3.490085
  Mo     -4.347290     -4.135775      3.880218
  N      -2.889723     -5.040073      4.955994
  C      -1.926714     -5.799591      4.138680
  C      -2.628503     -6.752273      3.182887
  H      -1.256878     -6.402205      4.769330
  H      -1.268254     -5.117606      3.566397
  H      -3.192043     -7.491151      3.768116
  H      -1.886702     -7.303708      2.571120
  H      -6.711837     -7.126319      2.934705
  H      -5.378429     -7.130856      4.076442
  H      -5.251084     -6.304881      1.129525
  H      -4.591680     -7.817125      1.808866
  H      -3.194278     -3.451298      0.190694
  H      -4.725387     -4.164617      0.691546
  H      -1.917976     -5.111325      1.460939
  H      -2.999751     -5.918814      0.294596
  C      -1.312037      0.325524      0.221924
  C      -1.181875     -0.365141      1.364682
  C      -0.342711      0.151535      2.501610
  C      -1.821360     -1.723386      1.552586
  C      -3.320497     -1.745483      2.017279
  C      -4.252811     -1.129478      0.958496
  C      -3.455019     -0.908095      3.285153
  C      -6.826158     -6.752648      6.615412
  C      -7.380543     -5.620391      6.154948
  C      -7.337716     -4.355532      6.967844
  C      -8.103058     -5.614224      4.830055
  C      -7.449197     -4.826914      3.646153
  C      -8.217652     -5.192010      2.355827
  C      -7.628554     -3.316194      3.817933
  C      -3.131239     -6.983814      8.916011
  C      -2.814416     -6.897309      7.614832
  C      -3.428515     -7.816481      6.599584
  C      -1.808923     -5.887491      7.124769
  C      -2.344642     -4.663935      6.298811
  C      -1.164638     -3.689954      6.107033
  C      -3.403961     -3.985354      7.166732
  H      -0.847892      1.305721      0.093716
  H      -1.883640     -0.066806     -0.621579
  H      -0.911521      0.189698      3.442712
  H       0.054344      1.153522      2.290492
  H       0.507573     -0.527332      2.682319
  H      -1.258829     -2.290295      2.311367
  H      -1.738341     -2.279210      0.607507
  H      -4.012075     -0.068759      0.809836
  H      -5.293553     -1.204624      1.305957
  H      -4.178269     -1.627923     -0.017640
  H      -4.486330     -0.915870      3.655138
  H      -2.811910     -1.283171      4.093021
  H      -3.170071      0.128068      3.057226
  H      -6.859277     -7.679062      6.037857
  H      -6.320869     -6.788567      7.582873
  H      -8.323566     -3.864877      6.990673
  H      -6.624980     -3.631994      6.542418
  H      -7.024503     -4.564196      7.999813
  H      -8.239215     -6.658594      4.508987
  H      -9.115704     -5.196608      4.969537
  H      -8.216136     -6.267647      2.135275
  H      -7.780590     -4.657936      1.499830
  H      -9.267965     -4.882037      2.455261
  H      -8.702483     -3.086495      3.871345
  H      -7.134505     -2.926718      4.709877
  H      -7.204013     -2.788384      2.950779
  H      -3.847364     -7.724487      9.279005
  H      -2.687285     -6.314452      9.655944
  H      -4.045591     -7.242381      5.891694
  H      -2.649291     -8.323236      6.006666
  H      -4.060067     -8.578922      7.074409
  H      -1.307611     -5.445433      7.998364
  H      -1.018565     -6.411168      6.562839
  H      -0.327002     -4.159212      5.570540
  H      -0.789426     -3.339274      7.079333
  H      -1.502726     -2.817964      5.528896
  H      -4.314436     -4.595289      7.229127
  H      -3.007327     -3.861289      8.184726
  H      -3.679148     -3.003326      6.770014
  N      -4.862551     -2.896909      4.877620
84
Coordinates from ORCA-job orca E -5420.835008706019
  N      -3.673699     -3.173440      2.253559
  C      -3.684722     -3.980378      1.019744
  C      -2.972269     -5.308750      1.219464
  N      -3.576876     -6.015503      2.348945
  C      -4.802298     -6.751616      2.027693
  C      -5.776993     -6.607890      3.188312
  N      -6.013189     -5.185932      3.489737
  Mo     -4.347853     -4.135897      3.880046
  N      -2.890340     -5.040242      4.955896
  C      -1.927032     -5.799461      4.138707
  C      -2.628522     -6.752022      3.182546
  H      -1.257260     -6.402128      4.769419
  H      -1.268509     -5.117281      3.566724
  H      -3.192052     -7.491092      3.767516
  H      -1.886574     -7.303254      2.570773
  H      -6.711742     -7.126710      2.933836
  H      -5.378436     -7.131268      4.075685
  H      -5.250951     -6.304558      1.128975
  H      -4.591334     -7.816858      1.807977
  H      -3.194007     -3.450529      0.190880
  H      -4.725268     -4.164178      0.690932
  H      -1.917967     -5.110645      1.461053
  H      -2.999360     -5.918118      0.294367
  C      -1.311923      0.325400      0.222620
  C      -1.181713     -0.365748      1.365088
  C      -0.342053      0.150176      2.501983
  C      -1.821726     -1.723765      1.552752
  C      -3.320835     -1.745321      2.017592
  C      -4.253024     -1.128952      0.958910
  C      -3.455108     -0.908230      3.285670
  C      -6.825092     -6.752050      6.615833
  C      -7.379530     -5.620005      6.154896
  C      -7.335622     -4.354428      6.966622
  C      -8.102733     -5.614587      4.830374
  C      -7.449426     -4.827533      3.646037
  C      -8.218359     -5.192643      2.355958
  C      -7.628571     -3.316843      3.817914
  C      -3.131547     -6.983187      8.916203
  C      -2.814543     -6.897167      7.615039
  C      -3.428163     -7.817017      6.600145
  C      -1.809308     -5.887199      7.124720
  C      -2.345354     -4.663871      6.298653
  C      -1.165650     -3.689606      6.106671
  C      -3.404895     -3.985490      7.166472
  H      -0.847426      1.305461      0.094655
  H      -1.883932     -0.066370     -0.620862
  H      -0.910528      0.187958      3.443313
  H       0.055133      1.152192      2.291243
  H       0.508162     -0.528952      2.682038
  H      -1.259400     -2.291077      2.311371
  H      -1.739089     -2.279464      0.607559
  H      -4.012146     -0.068220      0.810558
  H      -5.293800     -1.204071      1.306284
  H      -4.178444     -1.627157     -0.017355
  H      -4.486433     -0.915841      3.655650
  H      -2.812140     -1.283697      4.093461
  H      -3.169876      0.127909      3.057973
  H      -6.858789     -7.678901      6.039003
  H      -6.319122     -6.787370      7.582968
  H      -8.321280     -3.863403      6.989729
  H      -6.622931     -3.631517      6.540024
  H      -7.021739     -4.562268      7.998552
  H      -8.238845     -6.659113      4.509821
  H      -9.115357     -5.197035      4.970151
  H      -8.217185     -6.268317      2.135600
  H      -7.781366     -4.658846      1.499751
  H      -9.268561     -4.882351      2.455597
  H      -8.702462     -3.087086      3.871942
  H      -7.133963     -2.927426      4.709613
  H      -7.204460     -2.789069      2.950540
  H      -3.847455     -7.723991      9.279365
  H      -2.687994     -6.313325      9.655920
  H      -4.045119     -7.243432      5.891734
  H      -2.648712     -8.323957      6.007704
  H      -4.059762     -8.579285      7.075185
  H      -1.308089     -5.444881      7.998234
  H      -1.018802     -6.410747      6.562836
  H      -0.328131     -4.158561      5.569725
  H      -0.790114     -3.339080      7.078900
  H      -1.504158     -2.817551      5.528880
  H      -4.315114     -4.595801      7.229079
  H      -3.008261     -3.861023      8.184424
  H      -3.680539     -3.003679      6.769548
  N      -4.863368     -2.897214      4.877546
84
Coordinates from ORCA-job orca E -5420.835010128454
  N      -3.675243     -3.173129      2.252769
  C      -3.685271     -3.979909      1.018933
  C      -2.972937     -5.308307      1.218984
  N      -3.577770     -6.014981      2.348381
  C      -4.803176     -6.751068      2.026934
  C      -5.777750     -6.607978      3.187714
  N      -6.014142     -5.186129      3.489726
  Mo     -4.349011     -4.135665      3.879393
  N      -2.891448     -5.040008      4.955275
  C      -1.928059     -5.799334      4.138332
  C      -2.629528     -6.751694      3.181939
  H      -1.258632     -6.402253      4.769181
  H      -1.269182     -5.117283      3.566603
  H      -3.193139     -7.490812      3.766753
  H      -1.887604     -7.302921      2.570134
  H      -6.712462     -7.126765      2.933120
  H      -5.379045     -7.131614      4.074871
  H      -5.251994     -6.303583      1.128511
  H      -4.592131     -7.816175      1.806636
  H      -3.193773     -3.449987      0.190548
  H      -4.725549     -4.163607      0.689232
  H      -1.918688     -5.110220      1.460821
  H      -2.999783     -5.917725      0.293905
  C      -1.308080      0.323636      0.224707
  C      -1.179985     -0.367516      1.367441
  C      -0.341683      0.147956      2.505543
  C      -1.821283     -1.724945      1.554508
  C      -3.321184     -1.745124      2.017087
  C      -4.251300     -1.128455      0.956757
  C      -3.456947     -0.907626      3.284669
  C      -6.824226     -6.752394      6.616512
  C      -7.378455     -5.620305      6.155450
  C      -7.333266     -4.354329      6.966479
  C      -8.102638     -5.615187      4.831388
  C      -7.450220     -4.828177      3.646688
  C      -8.219905     -5.193480      2.356987
  C      -7.629681     -3.317497      3.818535
  C      -3.129556     -6.982596      8.915917
  C      -2.813010     -6.896445      7.614651
  C      -3.426067     -7.817020      6.600109
  C      -1.808889     -5.885525      7.123963
  C      -2.346295     -4.662889      6.297782
  C      -1.167617     -3.687574      6.105039
  C      -3.406198     -3.985342      7.165846
  H      -0.842681      1.303339      0.097330
  H      -1.879168     -0.067778     -0.619563
  H      -0.911477      0.185941      3.446086
  H       0.056264      1.149801      2.295423
  H       0.507968     -0.531577      2.686756
  H      -1.260730     -2.292464      2.314266
  H      -1.737806     -2.281146      0.609678
  H      -4.009888     -0.067749      0.809112
  H      -5.292744     -1.203436      1.302146
  H      -4.174908     -1.626457     -0.019463
  H      -4.488882     -0.914659      3.652990
  H      -2.815543     -1.283186      4.093624
  H      -3.170823      0.128284      3.057020
  H      -6.858766     -7.679529      6.040179
  H      -6.317611     -6.787545      7.583322
  H      -8.318685     -3.862859      6.990170
  H      -6.620615     -3.631963      6.538900
  H      -7.018588     -4.561763      7.998248
  H      -8.238808     -6.659811      4.511195
  H      -9.115229     -5.197812      4.971873
  H      -8.218914     -6.269186      2.136744
  H      -7.783310     -4.659856      1.500463
  H      -9.270043     -4.883118      2.456993
  H      -8.703590     -3.088060      3.873426
  H      -7.134457     -2.927753      4.709745
  H      -7.206430     -2.789698      2.950764
  H      -3.844611     -7.724127      9.279279
  H      -2.686522     -6.312177      9.655432
  H      -4.044414     -7.244267      5.892215
  H      -2.646424     -8.322818      6.006976
  H      -4.056342     -8.580194      7.075462
  H      -1.308050     -5.442554      7.997362
  H      -1.017840     -6.408340      6.562136
  H      -0.330257     -4.155609      5.567038
  H      -0.791384     -3.337088      7.077015
  H      -1.507491     -2.815619      5.527900
  H      -4.315705     -4.596667      7.229067
  H      -3.009255     -3.860122      8.183586
  H      -3.683136     -3.003962      6.768775
  N      -4.864327     -2.896807      4.876773
84
Coordinates from ORCA-job orca E -5420.835014438021
  N      -3.681592     -3.172107      2.248291
  C      -3.687832     -3.978678      1.014577
  C      -2.976427     -5.307365      1.216279
  N      -3.582210     -6.013054      2.345703
  C      -4.807865     -6.748666      2.024035
  C      -5.781354     -6.607754      3.185852
  N      -6.018315     -5.186119      3.490029
  Mo     -4.353540     -4.134207      3.875932
  N      -2.895488     -5.038245      4.951740
  C      -1.932457     -5.799040      4.135859
  C      -2.634482     -6.750615      3.179081
  H      -1.264790     -6.403133      4.767419
  H      -1.271799     -5.118203      3.564750
  H      -3.198521     -7.489621      3.763594
  H      -1.892953     -7.302154      2.567094
  H      -6.716040     -7.126365      2.931290
  H      -5.381685     -7.132264      4.072093
  H      -5.257604     -6.299395      1.126958
  H      -4.596925     -7.813319      1.801432
  H      -3.193046     -3.448945      0.187961
  H      -4.727100     -4.161693      0.681391
  H      -1.922271     -5.109639      1.458841
  H      -3.002728     -5.917380      0.291552
  C      -1.287882      0.314278      0.233808
  C      -1.171246     -0.375032      1.379011
  C      -0.341181      0.140428      2.523176
  C      -1.817908     -1.729921      1.563932
  C      -3.322255     -1.744466      2.013498
  C      -4.241357     -1.127280      0.943911
  C      -3.467541     -0.904341      3.277960
  C      -6.819346     -6.755627      6.618496
  C      -7.374460     -5.623638      6.158386
  C      -7.326963     -4.357307      6.968664
  C      -8.102167     -5.618831      4.835988
  C      -7.453699     -4.830315      3.650889
  C      -8.226957     -5.194950      2.362572
  C      -7.635071     -3.319829      3.824474
  C      -3.120234     -6.979372      8.914177
  C      -2.806187     -6.892438      7.612352
  C      -3.417858     -7.815420      6.599237
  C      -1.806458     -5.877941      7.119899
  C      -2.349376     -4.658123      6.293227
  C      -1.174798     -3.678636      6.097341
  C      -3.410469     -3.983963      7.162564
  H      -0.818496      1.292313      0.108437
  H      -1.853060     -0.077091     -0.614455
  H      -0.918762      0.181551      3.458861
  H       0.060999      1.140912      2.314629
  H       0.505250     -0.540863      2.712759
  H      -1.266402     -2.297116      2.330473
  H      -1.728626     -2.289485      0.621607
  H      -3.997822     -0.066620      0.799606
  H      -5.286334     -1.202074      1.278441
  H      -4.154795     -1.624483     -0.031788
  H      -4.502782     -0.909471      3.637093
  H      -2.834131     -1.279052      4.093405
  H      -3.178017      0.130618      3.050279
  H      -6.855217     -7.683018      6.042638
  H      -6.310541     -6.790621      7.584171
  H      -8.312631     -3.866525      6.995831
  H      -6.616501     -3.634607      6.538006
  H      -7.008175     -4.564019      7.999317
  H      -8.237837     -6.663607      4.516034
  H      -9.114991     -5.203179      4.979725
  H      -8.226365     -6.270428      2.141094
  H      -7.792809     -4.660488      1.505299
  H      -9.276945     -4.885068      2.465118
  H      -8.709119     -3.092035      3.882604
  H      -7.137986     -2.929600      4.714438
  H      -7.215072     -2.790630      2.955964
  H      -3.831956     -7.723553      9.278670
  H      -2.678519     -6.307118      9.652802
  H      -4.040605     -7.245236      5.893068
  H      -2.637847     -8.317825      6.003773
  H      -4.043966     -8.581255      7.075821
  H      -1.306967     -5.432282      7.992703
  H      -1.013397     -6.397970      6.558291
  H      -0.337929     -4.143154      5.555536
  H      -0.796068     -3.327819      7.068238
  H      -1.520040     -2.807390      5.522318
  H      -4.317138     -4.599265      7.228197
  H      -3.012134     -3.855982      8.179419
  H      -3.692481     -3.004199      6.765128
  N      -4.867371     -2.893957      4.872334
84
Coordinates from ORCA-job orca E -5397.577097822334
  N      -3.684065     -3.171992      2.246298
  C      -3.689038     -3.978771      1.012794
  C      -2.978033     -5.307557      1.215311
  N      -3.584182     -6.012599      2.344889
  C      -4.810086     -6.747845      2.023346
  C      -5.783048     -6.607494      3.185566
  N      -6.020031     -5.185787      3.490480
  Mo     -4.355165     -4.133549      3.874586
  N      -2.896732     -5.037269      4.950336
  C      -1.934145     -5.798929      4.134744
  C      -2.636718     -6.750402      3.178310
  H      -1.267046     -6.403360      4.766530
  H      -1.272900     -5.118771      3.563515
  H      -3.200948     -7.489109      3.763036
  H      -1.895494     -7.302360      2.566333
  H      -6.717842     -7.125860      2.931100
  H      -5.383060     -7.132359      4.071475
  H      -5.260141     -6.297912      1.126760
  H      -4.599405     -7.812389      1.799967
  H      -3.193135     -3.449379      0.186637
  H      -4.727979     -4.161586      0.678496
  H      -1.923894     -5.109979      1.458079
  H      -3.004217     -5.917993      0.290849
  C      -1.279072      0.310852      0.238105
  C      -1.167673     -0.377945      1.384210
  C      -0.341940      0.137503      2.531520
  C      -1.816384     -1.731918      1.567579
  C      -3.322584     -1.744404      2.011635
  C      -4.237164     -1.127143      0.938222
  C      -3.471743     -0.903015      3.274657
  C      -6.818536     -6.757817      6.619170
  C      -7.373430     -5.625453      6.159788
  C      -7.325167     -4.359542      6.970623
  C      -8.102241     -5.620073      4.837823
  C      -7.455109     -4.830892      3.652810
  C      -8.229523     -5.195601      2.364949
  C      -7.637640     -3.320391      3.826607
  C      -3.116686     -6.977779      8.912825
  C      -2.803248     -6.890380      7.610879
  C      -3.414295     -7.813944      6.597933
  C      -1.804993     -5.874534      7.118154
  C      -2.349830     -4.655770      6.291221
  C      -1.176551     -3.675088      6.093679
  C      -3.410990     -3.982434      7.161135
  H      -0.808206      1.288342      0.114091
  H      -1.841157     -0.080458     -0.612245
  H      -0.923444      0.179745      3.464748
  H       0.061958      1.137519      2.324038
  H       0.503095     -0.544403      2.725124
  H      -1.268693     -2.299195      2.336778
  H      -1.724549     -2.292473      0.626091
  H      -3.992627     -0.066579      0.795003
  H      -5.283534     -1.201637      1.268396
  H      -4.146559     -1.624325     -0.037071
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  H      -2.841589     -1.277272      4.092767
  H      -3.180791      0.131507      3.046798
  H      -6.855115     -7.684953      6.042949
  H      -6.309294     -6.793439      7.584588
  H      -8.310724     -3.868594      6.998763
  H      -6.614927     -3.636783      6.539751
  H      -7.005604     -4.566807      8.000928
  H      -8.237829     -6.664809      4.517664
  H      -9.115165     -5.205106      4.982842
  H      -8.228807     -6.271023      2.143075
  H      -7.796355     -4.660801      1.507378
  H      -9.279543     -4.886184      2.468255
  H      -8.711789     -3.093457      3.885718
  H      -7.140148     -2.929486      4.715987
  H      -7.218896     -2.790807      2.957718
  H      -3.827414     -7.722841      9.277464
  H      -2.675464     -6.305078      9.651336
  H      -4.037295     -7.244178      5.891615
  H      -2.633996     -8.316120      6.002626
  H      -4.040055     -8.580000      7.074612
  H      -1.306083     -5.428037      7.990859
  H      -1.011201     -6.393488      6.556618
  H      -0.339933     -4.138780      5.550757
  H      -0.796895     -3.323777      7.064043
  H      -1.523536     -2.804327      5.518976
  H      -4.316654     -4.599064      7.228045
  H      -3.011827     -3.853172      8.177506
  H      -3.694804     -3.003343      6.763352
  N      -4.868173     -2.892383      4.870252
84
Coordinates from ORCA-job orca E -5420.835016187495
  N      -3.683271     -3.172573      2.246975
  C      -3.689681     -3.979737      1.013664
  C      -2.978443     -5.308412      1.216013
  N      -3.584032     -6.013288      2.345989
  C      -4.809936     -6.748730      2.025051
  C      -5.782807     -6.607586      3.187143
  N      -6.019525     -5.185457      3.491270
  Mo     -4.354513     -4.133585      3.875496
  N      -2.895700     -5.036710      4.951180
  C      -1.933390     -5.798292      4.135068
  C      -2.636226     -6.750455      3.179556
  H      -1.265556     -6.402156      4.766603
  H      -1.272907     -5.118032      3.563100
  H      -3.200133     -7.488913      3.764936
  H      -1.895066     -7.302642      2.567697
  H      -6.717682     -7.125909      2.933002
  H      -5.382903     -7.132092      4.073327
  H      -5.259950     -6.299443      1.128126
  H      -4.599322     -7.813442      1.802452
  H      -3.194875     -3.450757      0.186652
  H      -4.729017     -4.162769      0.680705
  H      -1.924220     -5.110666      1.458268
  H      -3.005032     -5.919065      0.291717
  C      -1.281634      0.312838      0.236494
  C      -1.168698     -0.376658      1.382162
  C      -0.342964      0.139053      2.529363
  C      -1.816300     -1.731147      1.565206
  C      -3.321776     -1.744909      2.011976
  C      -4.238304     -1.127043      0.940668
  C      -3.468589     -0.904151      3.275613
  C      -6.820501     -6.758916      6.617994
  C      -7.374751     -5.626146      6.159005
  C      -7.326895     -4.360914      6.970865
  C      -8.102769     -5.619846      4.836602
  C      -7.454671     -4.830580      3.652401
  C      -8.227939     -5.195484      2.363701
  C      -7.637522     -3.319939      3.825826
  C      -3.119614     -6.977789      8.912052
  C      -2.804795     -6.890299      7.610443
  C      -3.415413     -7.813188      6.596586
  C      -1.805243     -5.875149      7.118951
  C      -2.348335     -4.655629      6.291998
  C      -1.173583     -3.676641      6.094506
  C      -3.408501     -3.980616      7.161804
  H      -0.812008      1.290975      0.112832
  H      -1.843781     -0.078568     -0.613781
  H      -0.924205      0.180585      3.462797
  H       0.060058      1.139458      2.322041
  H       0.502641     -0.542282      2.722497
  H      -1.266881     -2.298861      2.332871
  H      -1.725607     -2.290535      0.622949
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  H      -2.836790     -1.278908      4.092267
  H      -3.178007      0.130485      3.047808
  H      -6.857024     -7.685543      6.040971
  H      -6.312038     -6.795369      7.583775
  H      -8.312076     -3.869163      6.997897
  H      -6.615386     -3.638425      6.541613
  H      -7.009052     -4.569258      8.001484
  H      -8.238459     -6.664366      4.515759
  H      -9.115689     -5.204645      4.981045
  H      -8.226538     -6.270895      2.141651
  H      -7.794273     -4.660364      1.506576
  H      -9.278183     -4.886635      2.466070
  H      -8.711726     -3.093106      3.883733
  H      -7.141083     -2.928812      4.715625
  H      -7.217925     -2.790450      2.957282
  H      -3.831389     -7.722243      9.275881
  H      -2.678462     -6.305678      9.651151
  H      -4.036138     -7.242500      5.889019
  H      -2.634659     -8.316770      6.002995
  H      -4.043060     -8.578207      7.072438
  H      -1.306342     -5.429558      7.992117
  H      -1.011791     -6.394674      6.557504
  H      -0.336945     -4.141997      5.553027
  H      -0.794585     -3.324876      7.064961
  H      -1.518768     -2.806010      5.518532
  H      -4.315127     -4.595794      7.228661
  H      -3.009136     -3.851818      8.178152
  H      -3.690671     -3.001116      6.763869
  N      -4.867876     -2.892163      4.870683
84
Coordinates from ORCA-job orca E -5420.835016579930
  N      -3.682627     -3.172310      2.247840
  C      -3.689461     -3.978831      1.014084
  C      -2.977927     -5.307504      1.215504
  N      -3.583294     -6.013103      2.345213
  C      -4.808972     -6.748764      2.024101
  C      -5.782004     -6.607812      3.186167
  N      -6.019203     -5.185824      3.490261
  Mo     -4.354293     -4.134098      3.875596
  N      -2.895382     -5.037036      4.950953
  C      -1.932858     -5.798148      4.134598
  C      -2.635217     -6.750209      3.178627
  H      -1.264752     -6.401866      4.765995
  H      -1.272709     -5.117418      3.562811
  H      -3.198992     -7.489044      3.763637
  H      -1.893755     -7.301832      2.566638
  H      -6.716638     -7.126561      2.931991
  H      -5.381938     -7.132097      4.072379
  H      -5.259000     -6.299712      1.127058
  H      -4.598114     -7.813478      1.801696
  H      -3.195232     -3.449154      0.187121
  H      -4.728939     -4.161889      0.681580
  H      -1.923709     -5.109651      1.457681
  H      -3.004542     -5.917687      0.290903
  C      -1.283345      0.312728      0.235333
  C      -1.169081     -0.376159      1.381148
  C      -0.340363      0.139310      2.526328
  C      -1.816761     -1.730500      1.565328
  C      -3.321978     -1.744420      2.013232
  C      -4.239397     -1.126795      0.942586
  C      -3.468542     -0.904268      3.277366
  C      -6.819307     -6.757004      6.618277
  C      -7.375171     -5.625312      6.158524
  C      -7.329357     -4.359465      6.969576
  C      -8.102631     -5.620403      4.835938
  C      -7.454452     -4.831055      3.651683
  C      -8.227811     -5.195315      2.362993
  C      -7.637171     -3.320547      3.825881
  C      -3.117733     -6.978075      8.913897
  C      -2.804833     -6.890880      7.611799
  C      -3.417544     -7.813632      6.599004
  C      -1.805402     -5.876402      7.118761
  C      -2.348657     -4.656721      6.292168
  C      -1.174051     -3.677301      6.095829
  C      -3.409480     -3.982483      7.161744
  H      -0.812998      1.290344      0.110261
  H      -1.847348     -0.078697     -0.613697
  H      -0.919664      0.182691      3.460795
  H       0.063892      1.138855      2.317328
  H       0.504524     -0.543134      2.718494
  H      -1.266518     -2.298151      2.332447
  H      -1.727034     -2.290043      0.623059
  H      -3.994522     -0.066468      0.798097
  H      -5.284755     -1.200406      1.276148
  H      -4.152323     -1.624507     -0.032782
  H      -4.504145     -0.909537      3.635420
  H      -2.835800     -1.278887      4.093352
  H      -3.178873      0.130675      3.049891
  H      -6.854200     -7.683995      6.041729
  H      -6.310912     -6.792022      7.584161
  H      -8.315569     -3.869808      6.996858
  H      -6.619758     -3.635613      6.539384
  H      -7.010425     -4.566432      8.000132
  H      -8.237704     -6.665146      4.515498
  H      -9.115820     -5.205682      4.979865
  H      -8.226393     -6.270572      2.140368
  H      -7.794427     -4.659648      1.506069
  H      -9.278079     -4.886608      2.465959
  H      -8.711420     -3.093477      3.882925
  H      -7.141496     -2.930149      4.716556
  H      -7.216697     -2.790501      2.958085
  H      -3.829329     -7.722005      9.279132
  H      -2.675096     -6.306055      9.652203
  H      -4.039553     -7.242904      5.892670
  H      -2.637927     -8.317219      6.003950
  H      -4.044232     -8.578626      7.076163
  H      -1.305442     -5.430668      7.991264
  H      -1.012673     -6.396454      6.556733
  H      -0.336722     -4.142387      5.555233
  H      -0.796105     -3.325215      7.066567
  H      -1.518963     -2.806823      5.519458
  H      -4.316055     -4.597875      7.227606
  H      -3.010889     -3.854290      8.178461
  H      -3.691601     -3.002790      6.764153
  N      -4.868346     -2.893419      4.871368
84
Coordinates from ORCA-job orca E -5420.835017068103
  N      -3.682953     -3.172318      2.247582
  C      -3.689696     -3.979018      1.013955
  C      -2.978013     -5.307572      1.215602
  N      -3.583348     -6.013023      2.345408
  C      -4.809021     -6.748754      2.024365
  C      -5.782121     -6.607745      3.186349
  N      -6.019358     -5.185722      3.490389
  Mo     -4.354487     -4.133866      3.875549
  N      -2.895463     -5.036595      4.951020
  C      -1.932899     -5.797652      4.134677
  C      -2.635278     -6.749945      3.178960
  H      -1.264626     -6.401196      4.766069
  H      -1.272890     -5.116915      3.562733
  H      -3.199031     -7.488636      3.764184
  H      -1.893844     -7.301748      2.567094
  H      -6.716788     -7.126433      2.932164
  H      -5.382127     -7.131993      4.072615
  H      -5.259013     -6.299808      1.127255
  H      -4.598127     -7.813481      1.802055
  H      -3.195552     -3.449474      0.186885
  H      -4.729152     -4.162285      0.681493
  H      -1.923824     -5.109582      1.457781
  H      -3.004537     -5.917906      0.291096
  C      -1.283081      0.313227      0.236182
  C      -1.168985     -0.376613      1.381423
  C      -0.340621      0.137979      2.527226
  C      -1.816910     -1.730943      1.564610
  C      -3.321952     -1.744578      2.012965
  C      -4.239539     -1.126584      0.942689
  C      -3.467695     -0.904604      3.277282
  C      -6.819797     -6.757856      6.618341
  C      -7.374943     -5.625714      6.158693
  C      -7.328208     -4.359977      6.969863
  C      -8.102641     -5.620445      4.836183
  C      -7.454613     -4.831187      3.651818
  C      -8.228026     -5.195915      2.363209
  C      -7.637674     -3.320650      3.825446
  C      -3.118953     -6.977492      8.913157
  C      -2.805170     -6.890347      7.611272
  C      -3.417011     -7.813239      6.598094
  C      -1.805556     -5.875738      7.118852
  C      -2.348556     -4.656049      6.292114
  C      -1.173748     -3.676944      6.095470
  C      -3.409144     -3.981392      7.161644
  H      -0.812690      1.290933      0.111999
  H      -1.846953     -0.077478     -0.613264
  H      -0.920182      0.180455      3.461611
  H       0.063506      1.137779      2.319180
  H       0.504332     -0.544505      2.719004
  H      -1.266725     -2.299351      2.331211
  H      -1.727639     -2.289764      0.621873
  H      -3.994228     -0.066372      0.798041
  H      -5.284785     -1.199700      1.276692
  H      -4.153066     -1.624441     -0.032651
  H      -4.503185     -0.909442      3.635675
  H      -2.834894     -1.279730      4.092998
  H      -3.177561      0.130242      3.049899
  H      -6.855423     -7.684770      6.041711
  H      -6.311363     -6.793331      7.584182
  H      -8.313923     -3.869300      6.996821
  H      -6.617657     -3.636857      6.540041
  H      -7.009901     -4.567374      8.000528
  H      -8.237849     -6.665168      4.515766
  H      -9.115777     -5.205686      4.980336
  H      -8.226611     -6.271267      2.140995
  H      -7.794578     -4.660595      1.506101
  H      -9.278284     -4.887135      2.465962
  H      -8.711963     -3.093878      3.882773
  H      -7.141809     -2.929700      4.715731
  H      -7.217654     -2.790892      2.957268
  H      -3.830715     -7.721512      9.277889
  H      -2.676913     -6.305394      9.651746
  H      -4.038107     -7.242530      5.890931
  H      -2.636884     -8.317230      6.004041
  H      -4.044413     -8.577926      7.074800
  H      -1.305950     -5.430137      7.991622
  H      -1.012611     -6.395659      6.557022
  H      -0.336610     -4.142306      5.554800
  H      -0.795575     -3.324905      7.066138
  H      -1.518507     -2.806424      5.519072
  H      -4.315762     -4.596680      7.227860
  H      -3.010349     -3.852888      8.178247
  H      -3.691224     -3.001809      6.763789
  N      -4.868568     -2.892925      4.870944
