90
Coordinates from ORCA-job orca E -6199.265388318187
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
90
Coordinates from ORCA-job orca E -6199.298884431978
  N      -2.569671      4.444037      7.341396
  Mo     -2.219842      2.888361      6.153174
  N      -2.455843      1.473486      7.536015
  C      -1.378562      1.290654      8.493722
  C      -0.650455      2.612670      8.742721
  N      -0.358790      3.289698      7.459295
  C      -0.230874      4.747267      7.647638
  C      -1.613422      5.323141      7.945699
  C       0.857440      2.750006      6.820428
  C       0.569394      2.696702      5.317997
  N      -0.695223      2.019858      5.177703
  H      -1.691694      6.347980      7.532471
  H      -1.791685      5.405699      9.037176
  H       0.147486      5.172486      6.711603
  H       0.481863      4.973511      8.455974
  H       1.386288      2.186851      4.787516
  H       0.497280      3.723577      4.917825
  H       1.024881      1.724814      7.171588
  H       1.739836      3.360472      7.059796
  H      -1.756619      0.921636      9.461164
  H      -0.660733      0.531633      8.119715
  H      -1.310548      3.257866      9.331975
  H       0.278610      2.446945      9.309691
  C      -3.950100      4.782023      7.545761
  C      -4.713071      3.995436      6.525558
  C      -5.952319      4.250979      6.082091
  C      -6.607804      3.570500      4.982546
  N      -5.821779      2.979738      4.066442
  C      -6.418329      2.419655      3.003475
  N      -7.698397      2.418162      2.701380
  C      -8.533125      2.982697      3.621522
  C      -9.921967      2.985788      3.373542
  C     -10.789198      3.539306      4.290816
  C     -10.299648      4.103463      5.482412
  C      -8.946566      4.121286      5.745321
  C      -8.028956      3.582871      4.816685
  C      -0.637347      0.718610      4.521740
  C      -1.424846     -0.363995      5.197482
  C      -2.374872     -1.161479      4.658759
  C      -2.991942     -1.095771      3.342867
  N      -2.922592      0.051366      2.647814
  C      -3.617942      0.142812      1.504947
  N      -4.408563     -0.760663      0.967502
  C      -4.465556     -1.965095      1.606183
  C      -5.264847     -2.987861      1.051765
  C      -5.314464     -4.227398      1.649857
  C      -4.562806     -4.486550      2.811165
  C      -3.785440     -3.501057      3.381575
  C      -3.729790     -2.209204      2.810330
  C      -3.561152      0.533951      7.743667
  C      -4.780027      1.199100      8.313881
  C      -6.036361      1.192060      7.823541
  C      -6.539155      0.615887      6.587776
  N      -5.666666      0.222424      5.647876
  C      -6.152220     -0.201886      4.472987
  N      -7.409807     -0.380378      4.134060
  C      -8.337086     -0.028888      5.072227
  C      -9.703830     -0.203459      4.768799
  C     -10.668542      0.143065      5.688461
  C     -10.297311      0.665271      6.940435
  C      -8.969123      0.842388      7.262482
  C      -7.950936      0.499610      6.344938
  H      -4.132394      5.868093      7.418039
  H      -4.278206      4.521000      8.578648
  H      -4.138447      3.120966      6.167649
  H      -6.515689      5.053585      6.559476
  H      -5.749607      1.933980      2.288267
  H     -10.272478      2.533186      2.449693
  H     -11.859285      3.536641      4.096265
  H     -10.995065      4.527856      6.202971
  H      -8.582039      4.551119      6.675611
  H       0.412906      0.373288      4.513053
  H      -0.961327      0.804084      3.473970
  H      -1.106100     -0.588034      6.215964
  H      -2.749020     -1.969626      5.285895
  H      -3.527644      1.096976      0.977585
  H      -5.819752     -2.760987      0.145350
  H      -5.927764     -5.015551      1.219217
  H      -4.592863     -5.477159      3.260095
  H      -3.197994     -3.730385      4.266596
  H      -3.260767     -0.258868      8.454141
  H      -3.826015      0.050314      6.800759
  H      -4.610056      1.725089      9.256106
  H      -6.788933      1.710019      8.415035
  H      -5.408161     -0.437198      3.713536
  H      -9.954274     -0.609783      3.792302
  H     -11.721133      0.012537      5.448908
  H     -11.065869      0.931048      7.662183
  H      -8.711043      1.236151      8.242179
  N      -2.204308      4.259384      4.643531
90
Coordinates from ORCA-job orca E -6199.328789874944
  N      -2.556522      4.464946      7.345572
  Mo     -2.205925      2.901245      6.149177
  N      -2.462603      1.455950      7.546803
  C      -1.374927      1.289368      8.504301
  C      -0.650889      2.615743      8.750658
  N      -0.351173      3.302574      7.463707
  C      -0.224136      4.766435      7.656815
  C      -1.604272      5.340493      7.954306
  C       0.873604      2.761901      6.824201
  C       0.593574      2.708320      5.324831
  N      -0.668376      2.028018      5.181957
  H      -1.678608      6.368703      7.541111
  H      -1.784748      5.423257      9.048494
  H       0.159070      5.190572      6.720198
  H       0.490021      4.988435      8.467772
  H       1.413850      2.196276      4.796864
  H       0.521759      3.737375      4.920095
  H       1.038983      1.735045      7.178108
  H       1.754115      3.375822      7.075629
  H      -1.749919      0.922083      9.475461
  H      -0.650241      0.531550      8.133491
  H      -1.312792      3.263373      9.338574
  H       0.281331      2.453611      9.318108
  C      -3.945664      4.794221      7.527444
  C      -4.713081      4.007888      6.503200
  C      -5.949485      4.256731      6.049520
  C      -6.600782      3.562154      4.948152
  N      -5.815589      2.973423      4.036718
  C      -6.418038      2.402108      2.969349
  N      -7.710058      2.388175      2.674296
  C      -8.538954      2.951977      3.602348
  C      -9.936655      2.947385      3.369317
  C     -10.799202      3.503554      4.293985
  C     -10.298849      4.081077      5.483359
  C      -8.939556      4.107191      5.731524
  C      -8.026674      3.565152      4.792239
  C      -0.626545      0.719830      4.532528
  C      -1.424963     -0.361120      5.200575
  C      -2.377229     -1.154556      4.650854
  C      -2.987078     -1.079462      3.323038
  N      -2.911187      0.068524      2.636043
  C      -3.599557      0.167021      1.477280
  N      -4.390116     -0.740838      0.923635
  C      -4.449231     -1.947490      1.563776
  C      -5.244648     -2.975922      0.999716
  C      -5.297341     -4.219669      1.596114
  C      -4.551454     -4.481803      2.768618
  C      -3.779202     -3.493023      3.348686
  C      -3.721740     -2.194368      2.778058
  C      -3.566088      0.504046      7.764567
  C      -4.778848      1.181312      8.333859
  C      -6.040372      1.182036      7.847329
  C      -6.553708      0.585225      6.616895
  N      -5.689147      0.145796      5.693254
  C      -6.182606     -0.306592      4.521821
  N      -7.452475     -0.457540      4.179496
  C      -8.370745     -0.049868      5.107539
  C      -9.747511     -0.191617      4.807695
  C     -10.703293      0.207439      5.720247
  C     -10.315803      0.752594      6.965490
  C      -8.979351      0.898524      7.284611
  C      -7.970069      0.500632      6.372052
  H      -4.129200      5.880822      7.395589
  H      -4.283415      4.530774      8.557969
  H      -4.151072      3.123516      6.144743
  H      -6.513234      5.064111      6.525897
  H      -5.747915      1.916811      2.251680
  H     -10.296661      2.485464      2.448152
  H     -11.875912      3.493802      4.109605
  H     -10.992051      4.507884      6.211676
  H      -8.566397      4.546036      6.659105
  H       0.424012      0.368201      4.531299
  H      -0.946674      0.806810      3.483199
  H      -1.115994     -0.590938      6.225417
  H      -2.758454     -1.965490      5.276443
  H      -3.502944      1.125404      0.953348
  H      -5.794928     -2.748258      0.084989
  H      -5.908276     -5.011224      1.156524
  H      -4.582986     -5.477108      3.217014
  H      -3.196846     -3.727320      4.240670
  H      -3.259628     -0.284796      8.480485
  H      -3.833597      0.013566      6.824975
  H      -4.602095      1.723602      9.270848
  H      -6.784422      1.726310      8.433068
  H      -5.434248     -0.587114      3.772763
  H     -10.012329     -0.616774      3.837943
  H     -11.764042      0.101833      5.482122
  H     -11.079723      1.060767      7.682662
  H      -8.707751      1.310921      8.257417
  N      -2.230190      4.172985      4.718917
90
Coordinates from ORCA-job orca E -6199.352484679077
  N      -2.541906      4.491317      7.341790
  Mo     -2.195335      2.915872      6.138760
  N      -2.478869      1.441623      7.553305
  C      -1.381466      1.292282      8.506269
  C      -0.656564      2.621517      8.747919
  N      -0.346042      3.313521      7.460458
  C      -0.213856      4.780281      7.656443
  C      -1.590422      5.360301      7.953194
  C       0.884007      2.767372      6.824795
  C       0.613297      2.709033      5.327012
  N      -0.646320      2.028634      5.182573
  H      -1.656139      6.390841      7.539837
  H      -1.771365      5.445583      9.048778
  H       0.176017      5.199734      6.719785
  H       0.501315      4.996009      8.468818
  H       1.435099      2.191814      4.804618
  H       0.545803      3.737455      4.915126
  H       1.043175      1.740665      7.183751
  H       1.762689      3.381522      7.087570
  H      -1.752643      0.929736      9.481435
  H      -0.652770      0.534978      8.139651
  H      -1.317425      3.273611      9.332914
  H       0.276876      2.460327      9.314931
  C      -3.935045      4.819466      7.500112
  C      -4.709299      4.033567      6.476398
  C      -5.942185      4.279875      6.013785
  C      -6.594640      3.563107      4.922808
  N      -5.815321      2.939403      4.035107
  C      -6.425180      2.341696      2.980460
  N      -7.720508      2.331843      2.684807
  C      -8.540797      2.935160      3.595724
  C      -9.940785      2.946228      3.361513
  C     -10.795010      3.547089      4.265626
  C     -10.286409      4.156745      5.438775
  C      -8.926554      4.168394      5.687553
  C      -8.021599      3.580453      4.765802
  C      -0.622038      0.714498      4.543731
  C      -1.433042     -0.359188      5.208594
  C      -2.388035     -1.146640      4.652738
  C      -2.991880     -1.062944      3.318268
  N      -2.911636      0.086769      2.640569
  C      -3.592774      0.191977      1.473502
  N      -4.380117     -0.714787      0.906388
  C      -4.441133     -1.923747      1.543021
  C      -5.232304     -2.952543      0.968255
  C      -5.287844     -4.199694      1.557742
  C      -4.548198     -4.467988      2.735893
  C      -3.781216     -3.480352      3.326352
  C      -3.722360     -2.176777      2.762001
  C      -3.574055      0.479741      7.781981
  C      -4.785221      1.150894      8.358839
  C      -6.051355      1.148436      7.880276
  C      -6.566380      0.554148      6.644733
  N      -5.703713      0.126216      5.716958
  C      -6.198760     -0.323262      4.541069
  N      -7.471603     -0.471951      4.198093
  C      -8.386407     -0.072795      5.133566
  C      -9.765996     -0.218424      4.839706
  C     -10.718943      0.165067      5.762015
  C     -10.328272      0.699758      7.013714
  C      -8.990515      0.849619      7.327649
  C      -7.983782      0.465650      6.403853
  H      -4.115191      5.906588      7.361698
  H      -4.283992      4.558093      8.527673
  H      -4.165499      3.136106      6.119153
  H      -6.499401      5.100559      6.477126
  H      -5.759563      1.826415      2.279716
  H     -10.308325      2.459897      2.454522
  H     -11.872716      3.548672      4.079796
  H     -10.974383      4.618607      6.152146
  H      -8.547005      4.632103      6.601375
  H       0.426172      0.352976      4.550920
  H      -0.937243      0.799673      3.492443
  H      -1.134041     -0.591369      6.237055
  H      -2.775657     -1.957040      5.276389
  H      -3.492029      1.153137      0.955591
  H      -5.777247     -2.721183      0.049785
  H      -5.895458     -4.990399      1.109236
  H      -4.581048     -5.466576      3.179141
  H      -3.204040     -3.721589      4.220878
  H      -3.256563     -0.306451      8.497215
  H      -3.842588     -0.013890      6.844700
  H      -4.606519      1.695855      9.295360
  H      -6.793336      1.689370      8.472885
  H      -5.446909     -0.598292      3.790912
  H     -10.034935     -0.635077      3.866088
  H     -11.781511      0.056413      5.527859
  H     -11.091435      0.996485      7.738256
  H      -8.715419      1.252965      8.304087
  N      -2.259051      4.081055      4.786264
90
Coordinates from ORCA-job orca E -6199.367040511976
  N      -2.532410      4.505414      7.340288
  Mo     -2.183483      2.925338      6.119770
  N      -2.501530      1.418923      7.547563
  C      -1.395819      1.289639      8.494542
  C      -0.669073      2.620693      8.734159
  N      -0.342413      3.320457      7.452464
  C      -0.207576      4.786817      7.659251
  C      -1.583503      5.366705      7.960247
  C       0.894852      2.773710      6.823795
  C       0.636605      2.711686      5.326011
  N      -0.617399      2.026336      5.177229
  H      -1.642909      6.402195      7.554978
  H      -1.762204      5.446980      9.057983
  H       0.189167      5.207622      6.725774
  H       0.507460      4.992517      8.474337
  H       1.461828      2.192417      4.810309
  H       0.572981      3.739465      4.908476
  H       1.048781      1.747393      7.186264
  H       1.768402      3.389223      7.103203
  H      -1.763318      0.933999      9.474084
  H      -0.663028      0.532250      8.135082
  H      -1.330140      3.276787      9.314386
  H       0.262875      2.459138      9.303681
  C      -3.928622      4.831946      7.475300
  C      -4.709876      4.050698      6.451513
  C      -5.942669      4.297098      5.988731
  C      -6.600935      3.568886      4.906647
  N      -5.829101      2.939202      4.019516
  C      -6.447969      2.333085      2.974167
  N      -7.745338      2.311524      2.695237
  C      -8.557473      2.917572      3.610620
  C      -9.960387      2.920112      3.392126
  C     -10.806426      3.528091      4.297128
  C     -10.288162      4.154953      5.457361
  C      -8.926486      4.175686      5.690415
  C      -8.029964      3.579927      4.765787
  C      -0.605365      0.708726      4.548443
  C      -1.428476     -0.355430      5.212834
  C      -2.385651     -1.137022      4.653797
  C      -2.987103     -1.044094      3.317435
  N      -2.911878      0.111303      2.651449
  C      -3.588042      0.222261      1.482235
  N      -4.366154     -0.683410      0.903271
  C      -4.422417     -1.897261      1.530545
  C      -5.205265     -2.925863      0.943828
  C      -5.255872     -4.177754      1.521065
  C      -4.518756     -4.452765      2.699288
  C      -3.760775     -3.466185      3.301270
  C      -3.708679     -2.157462      2.749326
  C      -3.585750      0.451041      7.790930
  C      -4.789430      1.135949      8.363248
  C      -6.056766      1.137796      7.887482
  C      -6.577679      0.511373      6.668793
  N      -5.720544      0.019014      5.770080
  C      -6.217247     -0.472796      4.612372
  N      -7.488896     -0.589760      4.257887
  C      -8.398706     -0.116025      5.161863
  C      -9.779312     -0.226969      4.856804
  C     -10.728463      0.223724      5.750560
  C     -10.335219      0.794164      6.985718
  C      -8.997512      0.911596      7.310549
  C      -7.994526      0.457905      6.414908
  H      -4.108465      5.919923      7.336888
  H      -4.289506      4.567206      8.498158
  H      -4.187031      3.141186      6.090110
  H      -6.493816      5.123885      6.448627
  H      -5.787612      1.814874      2.271084
  H     -10.336038      2.421358      2.495206
  H     -11.886120      3.522665      4.123464
  H     -10.970819      4.622027      6.172262
  H      -8.539560      4.651990      6.594274
  H       0.440046      0.337293      4.565885
  H      -0.913412      0.789143      3.494484
  H      -1.139648     -0.586588      6.244382
  H      -2.777392     -1.947056      5.275149
  H      -3.491391      1.188423      0.973713
  H      -5.748057     -2.689632      0.025297
  H      -5.857098     -4.967859      1.063065
  H      -4.546748     -5.455621      3.132908
  H      -3.184756     -3.714487      4.194479
  H      -3.261816     -0.327080      8.512939
  H      -3.858206     -0.052134      6.860408
  H      -4.603609      1.702900      9.285323
  H      -6.788712      1.710302      8.462207
  H      -5.464318     -0.810220      3.889151
  H     -10.051772     -0.673076      3.897308
  H     -11.791360      0.141546      5.507255
  H     -11.096797      1.144701      7.687452
  H      -8.719622      1.344203      8.273381
  N      -2.305311      3.995428      4.816718
90
Coordinates from ORCA-job orca E -6199.378213056183
  N      -2.518667      4.517241      7.337910
  Mo     -2.165816      2.936072      6.100370
  N      -2.522073      1.400833      7.529346
  C      -1.410955      1.289419      8.471718
  C      -0.681504      2.620482      8.715864
  N      -0.332818      3.327725      7.443979
  C      -0.194670      4.791738      7.662802
  C      -1.570954      5.369818      7.968775
  C       0.911125      2.779017      6.826116
  C       0.664024      2.711213      5.327535
  N      -0.585130      2.021295      5.176033
  H      -1.624239      6.410452      7.574876
  H      -1.746379      5.442746      9.068121
  H       0.208704      5.215657      6.733629
  H       0.520247      4.986075      8.480495
  H       1.491464      2.188610      4.818578
  H       0.606163      3.737149      4.903565
  H       1.058182      1.754038      7.194200
  H       1.779309      3.394709      7.122005
  H      -1.775886      0.938799      9.454104
  H      -0.674221      0.532120      8.120116
  H      -1.343117      3.280824      9.289828
  H       0.245306      2.455025      9.292073
  C      -3.915335      4.852863      7.447691
  C      -4.707166      4.075392      6.429616
  C      -5.940914      4.325355      5.971396
  C      -6.617778      3.573743      4.916719
  N      -5.864946      2.877083      4.065063
  C      -6.499993      2.241918      3.048596
  N      -7.794781      2.245974      2.768598
  C      -8.589446      2.923474      3.648322
  C      -9.989496      2.965987      3.419990
  C     -10.816313      3.651098      4.284802
  C     -10.282225      4.317487      5.414579
  C      -8.923112      4.299960      5.656541
  C      -8.045243      3.624506      4.770933
  C      -0.583751      0.701949      4.556202
  C      -1.418175     -0.351148      5.223311
  C      -2.378195     -1.128694      4.666328
  C      -2.987529     -1.026734      3.335114
  N      -2.938175      0.140042      2.687910
  C      -3.617994      0.254029      1.523132
  N      -4.376656     -0.656911      0.931840
  C      -4.408582     -1.880160      1.541214
  C      -5.172782     -2.914383      0.941601
  C      -5.197673     -4.174638      1.499586
  C      -4.451842     -4.453049      2.670445
  C      -3.712289     -3.461412      3.284823
  C      -3.688647     -2.144862      2.753252
  C      -3.590699      0.423017      7.775682
  C      -4.797122      1.104050      8.345292
  C      -6.066455      1.101504      7.872513
  C      -6.591986      0.467300      6.659114
  N      -5.742142     -0.031471      5.757474
  C      -6.246374     -0.537661      4.610737
  N      -7.517499     -0.652056      4.262861
  C      -8.420467     -0.169816      5.167699
  C      -9.802340     -0.286170      4.873141
  C     -10.745814      0.164265      5.771114
  C     -10.346534      0.741850      6.999918
  C      -9.007848      0.865509      7.314353
  C      -8.010337      0.410845      6.414154
  H      -4.090826      5.941735      7.307746
  H      -4.289366      4.590497      8.466503
  H      -4.210396      3.150909      6.065873
  H      -6.475163      5.173040      6.411834
  H      -5.854594      1.669545      2.374671
  H     -10.378354      2.435924      2.548040
  H     -11.893632      3.676508      4.104061
  H     -10.951040      4.845012      6.098365
  H      -8.524447      4.808300      6.536361
  H       0.457889      0.319327      4.584612
  H      -0.883272      0.776356      3.498967
  H      -1.136260     -0.578742      6.256614
  H      -2.766907     -1.940548      5.285896
  H      -3.542799      1.229039      1.029857
  H      -5.722339     -2.675208      0.028900
  H      -5.784565     -4.968626      1.031960
  H      -4.458537     -5.462068      3.088255
  H      -3.127858     -3.712817      4.170740
  H      -3.257016     -0.350861      8.497779
  H      -3.860302     -0.084176      6.847135
  H      -4.612675      1.679480      9.261511
  H      -6.795829      1.676031      8.446707
  H      -5.497423     -0.887006      3.890689
  H     -10.080381     -0.737255      3.918528
  H     -11.809273      0.077956      5.535937
  H     -11.104165      1.093417      7.703926
  H      -8.724462      1.303282      8.272198
  N      -2.358140      3.941695      4.788619
90
Coordinates from ORCA-job orca E -6199.389287614013
  N      -2.507602      4.520490      7.331582
  Mo     -2.149300      2.941225      6.080073
  N      -2.546652      1.380578      7.500113
  C      -1.430668      1.285413      8.437378
  C      -0.696082      2.613846      8.690040
  N      -0.323897      3.330398      7.431199
  C      -0.182947      4.791304      7.662231
  C      -1.560473      5.366911      7.971403
  C       0.926427      2.783079      6.823412
  C       0.687801      2.712747      5.323451
  N      -0.555841      2.015645      5.169606
  H      -1.610041      6.411569      7.589212
  H      -1.732255      5.431869      9.071598
  H       0.226953      5.219092      6.737807
  H       0.530969      4.975687      8.482918
  H       1.517499      2.189658      4.818601
  H       0.633952      3.737360      4.896092
  H       1.068925      1.758748      7.193923
  H       1.788389      3.399161      7.135668
  H      -1.793781      0.939639      9.422258
  H      -0.691161      0.527860      8.092993
  H      -1.358020      3.276691      9.259537
  H       0.223954      2.440408      9.273902
  C      -3.902650      4.864820      7.427772
  C      -4.707878      4.093861      6.419059
  C      -5.947131      4.353178      5.977720
  C      -6.651119      3.595905      4.946816
  N      -5.923414      2.876274      4.091610
  C      -6.583360      2.238268      3.096650
  N      -7.880123      2.250513      2.844276
  C      -8.651984      2.948053      3.728237
  C     -10.054236      3.000286      3.525204
  C     -10.857254      3.707880      4.392506
  C     -10.296321      4.387215      5.499225
  C      -8.934243      4.360237      5.716452
  C      -8.080434      3.660993      4.827902
  C      -0.557683      0.696695      4.555829
  C      -1.391614     -0.350597      5.232027
  C      -2.351617     -1.131514      4.684300
  C      -2.976742     -1.026022      3.363443
  N      -2.965532      0.152053      2.734665
  C      -3.658712      0.263804      1.580998
  N      -4.395863     -0.656528      0.983864
  C      -4.391567     -1.888935      1.574099
  C      -5.134740     -2.932821      0.968045
  C      -5.121983     -4.199922      1.508444
  C      -4.358187     -4.474966      2.666572
  C      -3.638735     -3.473766      3.286996
  C      -3.654866     -2.152124      2.773882
  C      -3.604914      0.401202      7.749856
  C      -4.812435      1.089949      8.307084
  C      -6.077983      1.087404      7.825557
  C      -6.599200      0.420667      6.629678
  N      -5.748802     -0.143519      5.767604
  C      -6.246032     -0.693221      4.641079
  N      -7.509339     -0.780616      4.270247
  C      -8.414288     -0.225587      5.129311
  C      -9.791120     -0.309432      4.806855
  C     -10.738325      0.210194      5.660556
  C     -10.348485      0.827482      6.870959
  C      -9.014859      0.921338      7.211685
  C      -8.013568      0.396016      6.357073
  H      -4.074956      5.954514      7.290943
  H      -4.282528      4.602377      8.444296
  H      -4.241091      3.156614      6.048538
  H      -6.463717      5.213071      6.414370
  H      -5.956807      1.651482      2.417586
  H     -10.464099      2.459962      2.670514
  H     -11.936573      3.741346      4.231797
  H     -10.947036      4.932210      6.185233
  H      -8.515452      4.878677      6.579625
  H       0.482648      0.310062      4.589831
  H      -0.853421      0.761973      3.496220
  H      -1.106900     -0.572057      6.264796
  H      -2.728084     -1.947774      5.304565
  H      -3.617590      1.248237      1.103689
  H      -5.699206     -2.695404      0.065161
  H      -5.692996     -5.001531      1.036395
  H      -4.334980     -5.488718      3.069912
  H      -3.038487     -3.721223      4.162659
  H      -3.268071     -0.366038      8.476531
  H      -3.872974     -0.112631      6.823833
  H      -4.629388      1.685985      9.209183
  H      -6.803494      1.689347      8.374047
  H      -5.494392     -1.104425      3.959221
  H     -10.062377     -0.792442      3.867069
  H     -11.797584      0.148799      5.404063
  H     -11.109331      1.234502      7.539138
  H      -8.738717      1.392316      8.154726
  N      -2.429901      3.898515      4.732902
90
Coordinates from ORCA-job orca E -6199.400694738008
  N      -2.494835      4.520526      7.319855
  Mo     -2.128897      2.941873      6.067458
  N      -2.562922      1.364774      7.467674
  C      -1.445201      1.284939      8.404023
  C      -0.706484      2.610960      8.667734
  N      -0.309701      3.334300      7.420995
  C      -0.167996      4.793368      7.658061
  C      -1.547786      5.366324      7.963965
  C       0.947358      2.788011      6.825429
  C       0.713526      2.713253      5.324111
  N      -0.526763      2.009449      5.169166
  H      -1.597368      6.412249      7.588910
  H      -1.718661      5.426617      9.063653
  H       0.247124      5.223225      6.736952
  H       0.543328      4.974324      8.481903
  H       1.545237      2.190641      4.821738
  H       0.662375      3.736012      4.893548
  H       1.087695      1.764866      7.199505
  H       1.804222      3.405479      7.148043
  H      -1.808273      0.942572      9.390348
  H      -0.702346      0.528185      8.066452
  H      -1.370682      3.275041      9.232323
  H       0.204038      2.426998      9.262741
  C      -3.887273      4.876790      7.410835
  C      -4.707932      4.105675      6.420216
  C      -5.955258      4.374880      6.002915
  C      -6.693096      3.605783      5.007817
  N      -5.997638      2.833674      4.170214
  C      -6.686220      2.181910      3.205850
  N      -7.984110      2.225075      2.966684
  C      -8.726067      2.978170      3.831421
  C     -10.127608      3.065092      3.639547
  C     -10.900300      3.826861      4.488664
  C     -10.308165      4.526510      5.565075
  C      -8.945301      4.465683      5.771220
  C      -8.121821      3.709369      4.901505
  C      -0.526533      0.693202      4.555622
  C      -1.350528     -0.355624      5.241598
  C      -2.310372     -1.143332      4.706738
  C      -2.962743     -1.032264      3.401993
  N      -3.004932      0.159797      2.800780
  C      -3.724444      0.270427      1.664118
  N      -4.438004     -0.663149      1.060114
  C      -4.380758     -1.907305      1.622309
  C      -5.098900     -2.964424      1.010299
  C      -5.032469     -4.240069      1.527133
  C      -4.238741     -4.509629      2.665824
  C      -3.542437     -3.495437      3.291645
  C      -3.613743     -2.167670      2.802840
  C      -3.613834      0.382696      7.707809
  C      -4.830738      1.076302      8.242503
  C      -6.090882      1.073426      7.745630
  C      -6.608144      0.387365      6.560162
  N      -5.759238     -0.213920      5.721524
  C      -6.254706     -0.791047      4.608776
  N      -7.514760     -0.870402      4.228652
  C      -8.419408     -0.276663      5.061823
  C      -9.793300     -0.347815      4.726040
  C     -10.740950      0.212306      5.553061
  C     -10.353909      0.859672      6.747876
  C      -9.022662      0.942397      7.100433
  C      -8.020703      0.376274      6.273453
  H      -4.054070      5.966540      7.272108
  H      -4.266107      4.622101      8.429590
  H      -4.271075      3.157796      6.047137
  H      -6.449809      5.253666      6.427230
  H      -6.083286      1.555232      2.539998
  H     -10.561967      2.507728      2.808727
  H     -11.979408      3.887887      4.336789
  H     -10.935292      5.114905      6.236648
  H      -8.503179      5.001492      6.611512
  H       0.514422      0.307639      4.588740
  H      -0.822696      0.751471      3.494818
  H      -1.052698     -0.574388      6.270724
  H      -2.665728     -1.969111      5.326838
  H      -3.731689      1.266813      1.210232
  H      -5.688530     -2.730395      0.123147
  H      -5.584852     -5.051991      1.051286
  H      -4.174152     -5.528801      3.049880
  H      -2.917942     -3.734327      4.152704
  H      -3.279437     -0.379897      8.439184
  H      -3.871287     -0.136401      6.780219
  H      -4.656853      1.685726      9.136899
  H      -6.816912      1.689957      8.276193
  H      -5.503536     -1.236644      3.949469
  H     -10.062022     -0.853430      3.797914
  H     -11.797977      0.160980      5.286779
  H     -11.114846      1.299596      7.394124
  H      -8.748924      1.438261      8.031024
  N      -2.497195      3.834862      4.690766
90
Coordinates from ORCA-job orca E -6199.407856869538
  N      -2.481672      4.520352      7.317057
  Mo     -2.111355      2.947753      6.061225
  N      -2.573158      1.354985      7.434409
  C      -1.455571      1.284105      8.369032
  C      -0.715617      2.608159      8.646090
  N      -0.299070      3.338448      7.412109
  C      -0.154759      4.794757      7.655690
  C      -1.534662      5.365504      7.963364
  C       0.961990      2.794108      6.825319
  C       0.730008      2.720598      5.323183
  N      -0.506577      2.011766      5.168652
  H      -1.586051      6.412595      7.595713
  H      -1.702501      5.419731      9.062753
  H       0.261913      5.227818      6.736957
  H       0.556452      4.971458      8.480522
  H       1.562781      2.200325      4.820149
  H       0.679385      3.742694      4.893142
  H       1.100615      1.770943      7.199183
  H       1.815465      3.411273      7.155986
  H      -1.818192      0.940489      9.355151
  H      -0.709676      0.530091      8.033773
  H      -1.382718      3.271068      9.207743
  H       0.186181      2.414515      9.250616
  C      -3.870027      4.885299      7.405331
  C      -4.698882      4.115612      6.426514
  C      -5.951873      4.394416      6.028134
  C      -6.714569      3.622712      5.056946
  N      -6.044414      2.810694      4.235142
  C      -6.752971      2.156589      3.288844
  N      -8.048885      2.232899      3.050562
  C      -8.767648      3.028967      3.896904
  C     -10.165864      3.151056      3.704477
  C     -10.915224      3.953626      4.537117
  C     -10.301720      4.659297      5.596454
  C      -8.940776      4.563871      5.803151
  C      -8.140625      3.763965      4.951408
  C      -0.505102      0.698199      4.555917
  C      -1.320409     -0.350024      5.252879
  C      -2.282987     -1.141882      4.732114
  C      -2.960262     -1.026919      3.442893
  N      -3.042401      0.174148      2.863427
  C      -3.785875      0.284112      1.743169
  N      -4.485896     -0.657426      1.136775
  C      -4.389770     -1.908848      1.676958
  C      -5.094003     -2.973787      1.063697
  C      -4.988704     -4.254180      1.562891
  C      -4.169505     -4.519770      2.683790
  C      -3.485634     -3.497658      3.310492
  C      -3.596182     -2.167225      2.839592
  C      -3.618229      0.369958      7.658265
  C      -4.843987      1.065520      8.173855
  C      -6.100200      1.055148      7.666441
  C      -6.613840      0.344614      6.495168
  N      -5.765081     -0.283527      5.675847
  C      -6.259572     -0.893748      4.581308
  N      -7.518276     -0.983212      4.201935
  C      -8.423828     -0.362978      5.014544
  C      -9.796155     -0.440560      4.675887
  C     -10.744923      0.148276      5.481314
  C     -10.359810      0.832207      6.655505
  C      -9.029502      0.922384      7.009680
  C      -8.026145      0.328455      6.204596
  H      -4.032656      5.975146      7.267260
  H      -4.248210      4.634431      8.424992
  H      -4.283742      3.162622      6.050940
  H      -6.429422      5.286334      6.443863
  H      -6.168655      1.499174      2.635477
  H     -10.617018      2.587792      2.887471
  H     -11.991847      4.042554      4.384966
  H     -10.910497      5.280558      6.254427
  H      -8.482858      5.105822      6.630374
  H       0.536047      0.313059      4.586773
  H      -0.803529      0.750095      3.494663
  H      -1.009780     -0.565444      6.278242
  H      -2.621855     -1.973139      5.353749
  H      -3.829524      1.287753      1.307883
  H      -5.705029     -2.742293      0.191134
  H      -5.530856     -5.072196      1.086911
  H      -4.075570     -5.541500      3.053516
  H      -2.841359     -3.729582      4.158591
  H      -3.287923     -0.392228      8.390588
  H      -3.864584     -0.149055      6.726407
  H      -4.678854      1.686882      9.060925
  H      -6.828988      1.680001      8.182256
  H      -5.508759     -1.362745      3.939643
  H     -10.062835     -0.973591      3.763298
  H     -11.800699      0.092130      5.213319
  H     -11.121166      1.294947      7.284115
  H      -8.757491      1.447450      7.924117
  N      -2.544486      3.793049      4.662335
90
Coordinates from ORCA-job orca E -6199.411780257796
  N      -2.480172      4.523507      7.307536
  Mo     -2.108509      2.943413      6.062361
  N      -2.589579      1.352309      7.432572
  C      -1.472430      1.288030      8.366603
  C      -0.731550      2.612362      8.644473
  N      -0.301844      3.337814      7.413182
  C      -0.153727      4.794233      7.650727
  C      -1.532895      5.369011      7.953243
  C       0.961285      2.786038      6.838404
  C       0.733681      2.703818      5.336630
  N      -0.502568      1.995297      5.182823
  H      -1.581359      6.415043      7.583315
  H      -1.701805      5.426833      9.052080
  H       0.266278      5.221896      6.730955
  H       0.556699      4.972325      8.476009
  H       1.566697      2.179782      4.837746
  H       0.687134      3.723597      4.901041
  H       1.094829      1.765103      7.220012
  H       1.813974      3.403104      7.171187
  H      -1.836011      0.949416      9.354254
  H      -0.725671      0.532499      8.037139
  H      -1.400048      3.278955      9.199782
  H       0.164706      2.416376      9.256364
  C      -3.866035      4.896256      7.385334
  C      -4.697421      4.119457      6.416785
  C      -5.950924      4.401018      6.019945
  C      -6.721138      3.619370      5.063686
  N      -6.058714      2.785170      4.257421
  C      -6.772022      2.122208      3.321620
  N      -8.066707      2.206860      3.080819
  C      -8.778818      3.025413      3.911553
  C     -10.175722      3.155473      3.716402
  C     -10.918630      3.978840      4.534488
  C     -10.299581      4.697781      5.581285
  C      -8.939520      4.594597      5.790436
  C      -8.145917      3.772387      4.954180
  C      -0.506427      0.686712      4.561891
  C      -1.330785     -0.362044      5.247545
  C      -2.284456     -1.155404      4.713479
  C      -2.946998     -1.037913      3.417422
  N      -3.045486      0.168925      2.852495
  C      -3.771155      0.276779      1.720681
  N      -4.436949     -0.672360      1.088591
  C      -4.322897     -1.928534      1.614005
  C      -4.991392     -3.001010      0.974877
  C      -4.867341     -4.284683      1.461437
  C      -4.064420     -4.545771      2.594931
  C      -3.415492     -3.516494      3.246566
  C      -3.546604     -2.183729      2.788748
  C      -3.637544      0.374583      7.662254
  C      -4.855825      1.079818      8.184093
  C      -6.117066      1.072185      7.689555
  C      -6.648433      0.348539      6.535140
  N      -5.814010     -0.305337      5.721297
  C      -6.324307     -0.930737      4.643165
  N      -7.586547     -1.010893      4.274418
  C      -8.478284     -0.363787      5.081513
  C      -9.853404     -0.426984      4.751777
  C     -10.788539      0.191584      5.550804
  C     -10.386368      0.892481      6.708961
  C      -9.052825      0.969754      7.053707
  C      -8.063078      0.345536      6.254786
  H      -4.024108      5.985222      7.236577
  H      -4.248377      4.657863      8.406479
  H      -4.293337      3.159788      6.049618
  H      -6.421086      5.303466      6.421156
  H      -6.192873      1.448317      2.680202
  H     -10.631289      2.581488      2.909482
  H     -11.994354      4.074218      4.380345
  H     -10.903359      5.335771      6.227661
  H      -8.477671      5.147126      6.608336
  H       0.531988      0.294409      4.597819
  H      -0.795975      0.745188      3.498180
  H      -1.030112     -0.580978      6.274988
  H      -2.624589     -1.992594      5.326447
  H      -3.831047      1.285158      1.298371
  H      -5.590913     -2.772563      0.093669
  H      -5.382306     -5.108534      0.965898
  H      -3.955540     -5.569475      2.954803
  H      -2.783272     -3.743084      4.105134
  H      -3.306211     -0.387919      8.393386
  H      -3.892934     -0.144879      6.732610
  H      -4.678059      1.710206      9.062158
  H      -6.835702      1.709130      8.204616
  H      -5.583816     -1.421594      4.006067
  H     -10.133238     -0.972841      3.850886
  H     -11.846509      0.146539      5.289742
  H     -11.136940      1.379370      7.332121
  H      -8.767564      1.509587      7.955329
  N      -2.568827      3.746648      4.647367
90
Coordinates from ORCA-job orca E -6199.417262692918
  N      -2.462753      4.536517      7.282778
  Mo     -2.079071      2.938507      6.067143
  N      -2.585314      1.355772      7.435117
  C      -1.474562      1.305809      8.376114
  C      -0.738647      2.635022      8.654760
  N      -0.286211      3.348554      7.425125
  C      -0.137881      4.807028      7.646795
  C      -1.519440      5.386605      7.930215
  C       0.983575      2.783553      6.877445
  C       0.770178      2.678574      5.375260
  N      -0.467220      1.972375      5.218591
  H      -1.563424      6.429431      7.552267
  H      -1.697565      5.453860      9.026847
  H       0.290615      5.223214      6.725619
  H       0.566381      4.993783      8.475537
  H       1.605421      2.145509      4.889604
  H       0.733699      3.692596      4.925857
  H       1.108983      1.768787      7.277642
  H       1.833299      3.403493      7.212314
  H      -1.843889      0.975588      9.364767
  H      -0.722402      0.549775      8.060929
  H      -1.414031      3.307039      9.194620
  H       0.146305      2.440301      9.283273
  C      -3.846769      4.918430      7.337119
  C      -4.676261      4.119165      6.388113
  C      -5.929773      4.395800      5.985754
  C      -6.700705      3.583115      5.057545
  N      -6.038347      2.710932      4.291594
  C      -6.747337      2.015137      3.377691
  N      -8.039886      2.096000      3.124948
  C      -8.753590      2.952375      3.915930
  C     -10.149002      3.076610      3.708815
  C     -10.894299      3.933674      4.489484
  C     -10.278898      4.692956      5.509243
  C      -8.919987      4.595935      5.729261
  C      -8.124145      3.738186      4.932117
  C      -0.485152      0.675208      4.577180
  C      -1.324613     -0.372101      5.247934
  C      -2.297581     -1.139071      4.709820
  C      -2.975718     -0.983781      3.426325
  N      -3.072543      0.239474      2.897424
  C      -3.808872      0.383158      1.776740
  N      -4.486101     -0.543815      1.124811
  C      -4.377954     -1.814631      1.614856
  C      -5.061787     -2.864137      0.954635
  C      -4.945773     -4.160798      1.407702
  C      -4.136646     -4.458177      2.527476
  C      -3.471971     -3.452036      3.199093
  C      -3.593060     -2.107185      2.775057
  C      -3.635287      0.384010      7.664814
  C      -4.854252      1.092828      8.181134
  C      -6.117295      1.066472      7.693618
  C      -6.650804      0.299965      6.569311
  N      -5.818888     -0.400399      5.792099
  C      -6.329148     -1.070635      4.741729
  N      -7.589770     -1.152493      4.367883
  C      -8.479262     -0.457502      5.137469
  C      -9.851785     -0.513490      4.796197
  C     -10.784161      0.158006      5.554783
  C     -10.381573      0.907234      6.681919
  C      -9.050433      0.979340      7.036486
  C      -8.063426      0.301596      6.278876
  H      -3.999610      6.003981      7.161561
  H      -4.238036      4.708234      8.361247
  H      -4.281788      3.148826      6.042871
  H      -6.396109      5.314598      6.352932
  H      -6.166280      1.313154      2.768426
  H     -10.601795      2.470934      2.923913
  H     -11.968996      4.024804      4.326390
  H     -10.884527      5.357815      6.126026
  H      -8.461436      5.179926      6.526816
  H       0.547107      0.266457      4.611186
  H      -0.769078      0.751899      3.512572
  H      -1.022625     -0.611415      6.270340
  H      -2.647735     -1.979757      5.312405
  H      -3.866868      1.403336      1.383543
  H      -5.667198     -2.607984      0.085237
  H      -5.473268     -4.966823      0.896436
  H      -4.035903     -5.491519      2.861029
  H      -2.836248     -3.704983      4.047586
  H      -3.305317     -0.375386      8.399319
  H      -3.890303     -0.139319      6.737048
  H      -4.673097      1.748164      9.039843
  H      -6.835441      1.717745      8.190898
  H      -5.589872     -1.600819      4.134814
  H     -10.131747     -1.095995      3.918717
  H     -11.840000      0.118535      5.284657
  H     -11.129676      1.436918      7.272086
  H      -8.764762      1.559491      7.912448
  N      -2.571276      3.663976      4.624027
90
Coordinates from ORCA-job orca E -6199.420931680555
  N      -2.458613      4.540528      7.270341
  Mo     -2.065476      2.938812      6.066612
  N      -2.582928      1.356957      7.423363
  C      -1.475834      1.307886      8.368363
  C      -0.744439      2.639068      8.656335
  N      -0.280260      3.353765      7.431667
  C      -0.134915      4.812213      7.652334
  C      -1.519211      5.390381      7.925894
  C       0.994229      2.786806      6.897272
  C       0.789482      2.672711      5.394705
  N      -0.448771      1.968005      5.233744
  H      -1.562345      6.433692      7.550660
  H      -1.704861      5.454790      9.021099
  H       0.298078      5.228053      6.733186
  H       0.564431      5.001360      8.484608
  H       1.626377      2.136110      4.915968
  H       0.758892      3.684241      4.939883
  H       1.117691      1.774826      7.304561
  H       1.841136      3.409137      7.234021
  H      -1.847413      0.974346      9.355148
  H      -0.720362      0.554951      8.054384
  H      -1.425039      3.309339      9.191413
  H       0.133509      2.441764      9.293633
  C      -3.841700      4.925385      7.316782
  C      -4.669498      4.117135      6.376091
  C      -5.923267      4.396531      5.973746
  C      -6.699452      3.582379      5.052008
  N      -6.043873      2.700515      4.290942
  C      -6.756306      2.011679      3.375073
  N      -8.046447      2.106504      3.115753
  C      -8.754256      2.971930      3.901813
  C     -10.147421      3.108665      3.689761
  C     -10.887525      3.972722      4.467738
  C     -10.268525      4.726711      5.488816
  C      -8.911152      4.617841      5.713005
  C      -8.120778      3.751393      4.920229
  C      -0.470334      0.679998      4.576515
  C      -1.310442     -0.368226      5.244813
  C      -2.288890     -1.127935      4.707859
  C      -2.965948     -0.965739      3.425365
  N      -3.049238      0.258759      2.897306
  C      -3.780108      0.409424      1.774212
  N      -4.464421     -0.510726      1.120267
  C      -4.372909     -1.782162      1.611762
  C      -5.066856     -2.824608      0.951441
  C      -4.967970     -4.121519      1.407993
  C      -4.166880     -4.426203      2.531333
  C      -3.491861     -3.426774      3.202541
  C      -3.594566     -2.082101      2.774182
  C      -3.632160      0.384099      7.642505
  C      -4.853753      1.087923      8.160728
  C      -6.120010      1.047742      7.683215
  C      -6.659522      0.261871      6.576033
  N      -5.832694     -0.454086      5.807403
  C      -6.349954     -1.144508      4.773876
  N      -7.613167     -1.234612      4.411092
  C      -8.497635     -0.525099      5.173174
  C      -9.871924     -0.585557      4.840495
  C     -10.798859      0.104177      5.589337
  C     -10.388614      0.877030      6.697312
  C      -9.055502      0.954262      7.042744
  C      -8.073856      0.258365      6.294776
  H      -3.992812      6.009406      7.131645
  H      -4.235544      4.726303      8.342129
  H      -4.278030      3.143709      6.037723
  H      -6.384228      5.321895      6.330431
  H      -6.180366      1.304333      2.768271
  H     -10.602939      2.506711      2.904009
  H     -11.960498      4.073576      4.301154
  H     -10.869789      5.397599      6.102810
  H      -8.449997      5.198191      6.511350
  H       0.560590      0.267739      4.604697
  H      -0.756414      0.765482      3.512723
  H      -1.008194     -0.609956      6.266411
  H      -2.646781     -1.964827      5.310906
  H      -3.826541      1.429894      1.380886
  H      -5.666539     -2.563256      0.080005
  H      -5.503735     -4.921958      0.897205
  H      -4.081019     -5.459549      2.868144
  H      -2.863822     -3.683552      4.055322
  H      -3.302055     -0.379333      8.372397
  H      -3.884565     -0.134548      6.711124
  H      -4.671053      1.752403      9.011642
  H      -6.838267      1.699171      8.179552
  H      -5.615022     -1.685797      4.171912
  H     -10.157557     -1.185477      3.977069
  H     -11.855893      0.061386      5.325746
  H     -11.132042      1.421680      7.279083
  H      -8.763926      1.554091      7.903003
  N      -2.576737      3.623597      4.609401
90
Coordinates from ORCA-job orca E -6199.424915592534
  N      -2.454614      4.544394      7.262763
  Mo     -2.049161      2.943587      6.064688
  N      -2.579898      1.353767      7.402543
  C      -1.475129      1.306284      8.350276
  C      -0.750918      2.639445      8.652782
  N      -0.273482      3.362015      7.437162
  C      -0.133476      4.819872      7.663267
  C      -1.521075      5.392262      7.930848
  C       1.007433      2.797803      6.913936
  C       0.811392      2.678780      5.411279
  N      -0.425327      1.972259      5.246034
  H      -1.565113      6.438213      7.563937
  H      -1.713452      5.447930      9.025387
  H       0.303003      5.239783      6.747413
  H       0.561736      5.008691      8.499339
  H       1.650743      2.141272      4.937428
  H       0.784779      3.689318      4.953387
  H       1.131112      1.787546      7.325539
  H       1.849616      3.423867      7.255852
  H      -1.847270      0.965218      9.334620
  H      -0.714168      0.559336      8.034857
  H      -1.438300      3.305225      9.184784
  H       0.119751      2.438464      9.299162
  C      -3.837283      4.929856      7.298912
  C      -4.663600      4.110827      6.368333
  C      -5.920207      4.388181      5.970579
  C      -6.705462      3.562784      5.067001
  N      -6.060644      2.660787      4.320060
  C      -6.781646      1.964065      3.416965
  N      -8.072037      2.065523      3.159992
  C      -8.769882      2.950548      3.933320
  C     -10.162883      3.094057      3.724671
  C     -10.893350      3.976436      4.491556
  C     -10.264210      4.742540      5.497354
  C      -8.906456      4.627396      5.717426
  C      -8.126037      3.741203      4.936642
  C      -0.451443      0.696574      4.568333
  C      -1.286246     -0.355901      5.236709
  C      -2.268955     -1.113595      4.706194
  C      -2.952328     -0.951212      3.427295
  N      -3.032521      0.272230      2.896544
  C      -3.764768      0.421552      1.773799
  N      -4.454155     -0.498434      1.124420
  C      -4.369592     -1.768037      1.622055
  C      -5.071943     -2.810200      0.970086
  C      -4.980469     -4.104890      1.435255
  C      -4.178903     -4.407767      2.558966
  C      -3.494989     -3.408408      3.221508
  C      -3.589488     -2.066346      2.783623
  C      -3.624586      0.374108      7.606865
  C      -4.851564      1.065725      8.130769
  C      -6.120089      1.020286      7.659099
  C      -6.666872      0.231888      6.557390
  N      -5.849539     -0.502915      5.795862
  C      -6.376348     -1.196873      4.768989
  N      -7.640552     -1.271192      4.405207
  C      -8.515253     -0.541237      5.159407
  C      -9.889557     -0.581146      4.823096
  C     -10.806594      0.132357      5.562127
  C     -10.385959      0.909630      6.663176
  C      -9.052561      0.967496      7.011504
  C      -8.080855      0.246834      6.273752
  H      -3.989190      6.012065      7.104258
  H      -4.233980      4.741317      8.325422
  H      -4.275991      3.134115      6.035376
  H      -6.376636      5.320803      6.314550
  H      -6.213338      1.243102      2.819033
  H     -10.626345      2.482199      2.950976
  H     -11.966552      4.082461      4.328033
  H     -10.857913      5.428234      6.102744
  H      -8.437521      5.217482      6.504339
  H       0.579343      0.282857      4.585374
  H      -0.744492      0.793137      3.506968
  H      -0.979347     -0.597616      6.257313
  H      -2.627399     -1.947727      5.313262
  H      -3.808501      1.441037      1.377197
  H      -5.672879     -2.550610      0.098685
  H      -5.523525     -4.905136      0.931391
  H      -4.100357     -5.439471      2.903224
  H      -2.867997     -3.661747      4.076491
  H      -3.291070     -0.396277      8.327924
  H      -3.872448     -0.136159      6.669029
  H      -4.668804      1.733226      8.979498
  H      -6.836514      1.671744      8.158415
  H      -5.649037     -1.755659      4.173132
  H     -10.183138     -1.184313      3.964320
  H     -11.863661      0.105708      5.295492
  H     -11.121341      1.474430      7.236323
  H      -8.752758      1.573147      7.865056
  N      -2.595657      3.579431      4.600027
90
Coordinates from ORCA-job orca E -6199.428600593718
  N      -2.448623      4.544837      7.252927
  Mo     -2.026018      2.942187      6.067756
  N      -2.570755      1.353458      7.391409
  C      -1.472656      1.306808      8.347704
  C      -0.755350      2.641208      8.662498
  N      -0.263075      3.367787      7.454090
  C      -0.130970      4.825551      7.682583
  C      -1.523788      5.391732      7.936860
  C       1.025245      2.805632      6.945979
  C       0.842250      2.679693      5.442425
  N      -0.393271      1.971751      5.268620
  H      -1.568018      6.439666      7.577027
  H      -1.728367      5.439405      9.029332
  H       0.311663      5.248040      6.770774
  H       0.556369      5.017402      8.524574
  H       1.685295      2.141075      4.976338
  H       0.821118      3.688871      4.981226
  H       1.148672      1.797953      7.363754
  H       1.861942      3.436119      7.292689
  H      -1.850145      0.961277      9.328615
  H      -0.706404      0.564013      8.035583
  H      -1.450691      3.304095      9.187598
  H       0.106074      2.438181      9.320573
  C      -3.831474      4.929809      7.275365
  C      -4.650799      4.095825      6.353709
  C      -5.907341      4.369026      5.951090
  C      -6.689457      3.531710      5.056484
  N      -6.043729      2.607882      4.336921
  C      -6.758083      1.901544      3.436521
  N      -8.043473      2.011492      3.157945
  C      -8.743700      2.918052      3.904173
  C     -10.132344      3.069221      3.673895
  C     -10.865934      3.970105      4.416228
  C     -10.244052      4.747618      5.417647
  C      -8.890185      4.625496      5.657929
  C      -8.106700      3.719487      4.903485
  C      -0.424652      0.717048      4.554455
  C      -1.252579     -0.349023      5.210808
  C      -2.246255     -1.095659      4.685336
  C      -2.955723     -0.912861      3.423678
  N      -3.043245      0.317937      2.911537
  C      -3.799664      0.484229      1.807282
  N      -4.506974     -0.424757      1.161639
  C      -4.419052     -1.700509      1.642444
  C      -5.143871     -2.731050      0.996798
  C      -5.051567     -4.030878      1.447712
  C      -4.227128     -4.350648      2.549943
  C      -3.520234     -3.362791      3.205693
  C      -3.614261     -2.016209      2.782203
  C      -3.615582      0.372925      7.582264
  C      -4.842992      1.057652      8.115528
  C      -6.116093      1.001921      7.658071
  C      -6.672314      0.199732      6.571963
  N      -5.863360     -0.555119      5.820713
  C      -6.400609     -1.267469      4.811870
  N      -7.667684     -1.342912      4.458143
  C      -8.533934     -0.593231      5.202760
  C      -9.910308     -0.631586      4.874792
  C     -10.818873      0.103563      5.603239
  C     -10.387143      0.901854      6.684684
  C      -9.051360      0.959191      7.023950
  C      -8.088050      0.216770      6.296664
  H      -3.984346      6.009196      7.066965
  H      -4.233698      4.755132      8.302271
  H      -4.261940      3.116902      6.030885
  H      -6.363871      5.308100      6.276756
  H      -6.188165      1.163674      2.860721
  H     -10.590402      2.447694      2.904757
  H     -11.935954      4.081804      4.236625
  H     -10.840125      5.448122      6.003400
  H      -8.427124      5.224893      6.441240
  H       0.605818      0.302074      4.551841
  H      -0.727034      0.839693      3.498408
  H      -0.931375     -0.608478      6.222651
  H      -2.596965     -1.936798      5.287164
  H      -3.848755      1.508930      1.425202
  H      -5.763503     -2.458673      0.142611
  H      -5.612701     -4.822033      0.949414
  H      -4.149845     -5.385990      2.883311
  H      -2.877542     -3.626967      4.045577
  H      -3.280827     -0.406284      8.293091
  H      -3.863937     -0.127186      6.638576
  H      -4.655217      1.731269      8.958219
  H      -6.830093      1.652989      8.161188
  H      -5.680834     -1.843661      4.223761
  H     -10.212363     -1.250917      4.030628
  H     -11.877511      0.078043      5.342940
  H     -11.115510      1.484423      7.248849
  H      -8.743035      1.582881      7.861217
  N      -2.601555      3.530881      4.591211
90
Coordinates from ORCA-job orca E -6199.431062006530
  N      -2.444765      4.554699      7.257235
  Mo     -2.020651      2.954992      6.072229
  N      -2.567646      1.360805      7.378927
  C      -1.472325      1.306260      8.339325
  C      -0.756121      2.639847      8.666918
  N      -0.258845      3.373772      7.464042
  C      -0.127434      4.830112      7.699353
  C      -1.521074      5.394386      7.953395
  C       1.030263      2.812148      6.957835
  C       0.849774      2.689251      5.453463
  N      -0.387585      1.984260      5.275822
  H      -1.564257      6.445747      7.604662
  H      -1.729578      5.430686      9.045334
  H       0.315782      5.257213      6.789949
  H       0.558922      5.019038      8.542816
  H       1.692121      2.149325      4.987679
  H       0.833564      3.699265      4.994146
  H       1.152638      1.804095      7.374773
  H       1.866615      3.441711      7.306300
  H      -1.851942      0.953499      9.316847
  H      -0.705245      0.565947      8.023754
  H      -1.453233      3.299548      9.193549
  H       0.101397      2.430688      9.328078
  C      -3.826267      4.942080      7.279202
  C      -4.646212      4.102338      6.364681
  C      -5.904541      4.377373      5.967457
  C      -6.696072      3.537357      5.084286
  N      -6.063106      2.591156      4.382427
  C      -6.785901      1.881272      3.491909
  N      -8.068368      2.007158      3.206684
  C      -8.756481      2.937182      3.935103
  C     -10.142035      3.104996      3.698761
  C     -10.864104      4.027919      4.425212
  C     -10.233217      4.811417      5.416082
  C      -8.881940      4.672837      5.662066
  C      -8.110094      3.743507      4.924303
  C      -0.426126      0.745242      4.534985
  C      -1.245425     -0.330749      5.186740
  C      -2.237448     -1.082352      4.665186
  C      -2.951813     -0.908443      3.405105
  N      -3.036135      0.317180      2.880488
  C      -3.795962      0.474825      1.777486
  N      -4.509489     -0.437852      1.144208
  C      -4.426740     -1.708425      1.639131
  C      -5.161310     -2.742023      1.009860
  C      -5.075495     -4.036640      1.476795
  C      -4.248099     -4.348147      2.579015
  C      -3.531472     -3.356885      3.218835
  C      -3.618605     -2.015254      2.778769
  C      -3.612281      0.378318      7.552384
  C      -4.843089      1.053790      8.089812
  C      -6.116686      0.985222      7.636637
  C      -6.668506      0.166505      6.561496
  N      -5.857003     -0.609198      5.834316
  C      -6.389941     -1.343629      4.839245
  N      -7.654810     -1.422908      4.478669
  C      -8.523416     -0.651994      5.198543
  C      -9.897100     -0.691418      4.859952
  C     -10.807860      0.066260      5.562143
  C     -10.380870      0.889021      6.626834
  C      -9.047644      0.948147      6.975676
  C      -8.082112      0.183188      6.275249
  H      -3.978861      6.020417      7.065780
  H      -4.227308      4.774233      8.307709
  H      -4.258120      3.122835      6.042937
  H      -6.355240      5.321489      6.286136
  H      -6.226055      1.125700      2.929675
  H     -10.607317      2.478086      2.938607
  H     -11.931790      4.152442      4.241239
  H     -10.820182      5.529453      5.989377
  H      -8.412165      5.276985      6.437473
  H       0.604349      0.330957      4.513938
  H      -0.739938      0.886188      3.484705
  H      -0.918395     -0.591369      6.196379
  H      -2.582713     -1.922965      5.270563
  H      -3.842723      1.495568      1.385135
  H      -5.783681     -2.476307      0.155783
  H      -5.644641     -4.829972      0.991598
  H      -4.176940     -5.379463      2.925488
  H      -2.887969     -3.613379      4.060213
  H      -3.278834     -0.410826      8.252628
  H      -3.856896     -0.109508      6.601038
  H      -4.657044      1.733439      8.927809
  H      -6.834377      1.634608      8.136265
  H      -5.669318     -1.939038      4.272174
  H     -10.195276     -1.329639      4.028781
  H     -11.864226      0.039756      5.293579
  H     -11.110558      1.489517      7.169783
  H      -8.743101      1.592078      7.798651
  N      -2.615975      3.514887      4.590376
90
Coordinates from ORCA-job orca E -6199.432568148673
  N      -2.456741      4.570660      7.254395
  Mo     -2.030561      2.956850      6.052372
  N      -2.561911      1.355306      7.381447
  C      -1.452514      1.280010      8.368163
  C      -0.725715      2.621320      8.704595
  N      -0.223702      3.368761      7.479646
  C      -0.096674      4.839454      7.717977
  C      -1.506275      5.409674      7.962966
  C       1.078221      2.792786      6.964866
  C       0.905273      2.668401      5.445138
  N      -0.365901      1.971389      5.258070
  H      -1.545913      6.461951      7.614705
  H      -1.717418      5.443381      9.055397
  H       0.347014      5.270618      6.810378
  H       0.587688      5.027303      8.563345
  H       1.744314      2.120013      4.983203
  H       0.902696      3.679404      4.985457
  H       1.189056      1.784100      7.384228
  H       1.921051      3.415034      7.312048
  H      -1.835578      0.923481      9.343581
  H      -0.690620      0.535268      8.049464
  H      -1.420813      3.282352      9.233195
  H       0.129505      2.405728      9.367397
  C      -3.860579      4.987413      7.291745
  C      -4.706776      4.148192      6.372229
  C      -5.965052      4.433868      5.984835
  C      -6.750317      3.584193      5.102263
  N      -6.101569      2.646146      4.405383
  C      -6.809240      1.922257      3.512285
  N      -8.094937      2.026796      3.222037
  C      -8.797369      2.947497      3.947796
  C     -10.185614      3.092208      3.708912
  C     -10.924279      4.004755      4.432492
  C     -10.307671      4.801254      5.423564
  C      -8.954161      4.685403      5.671816
  C      -8.166193      3.767038      4.936954
  C      -0.397773      0.723994      4.504648
  C      -1.224146     -0.352656      5.151393
  C      -2.221015     -1.101074      4.632233
  C      -2.945620     -0.924393      3.375496
  N      -3.039104      0.299638      2.851690
  C      -3.811529      0.451732      1.752547
  N      -4.526452     -0.467684      1.125299
  C      -4.431917     -1.735823      1.624031
  C      -5.165431     -2.778551      1.007263
  C      -5.067734     -4.069792      1.483028
  C      -4.230126     -4.369876      2.582532
  C      -3.514591     -3.369474      3.209425
  C      -3.613228     -2.032883      2.758567
  C      -3.615553      0.370052      7.556494
  C      -4.841072      1.053440      8.095581
  C      -6.111098      0.992397      7.641656
  C      -6.659119      0.171071      6.568257
  N      -5.842122     -0.613501      5.860311
  C      -6.367514     -1.353404      4.864267
  N      -7.631366     -1.427712      4.488071
  C      -8.503289     -0.644323      5.191061
  C      -9.874038     -0.674467      4.835862
  C     -10.786645      0.097729      5.520501
  C     -10.365161      0.926694      6.584165
  C      -9.036181      0.976921      6.949112
  C      -8.068375      0.196655      6.266419
  H      -3.998730      6.069280      7.084539
  H      -4.254676      4.822287      8.324019
  H      -4.342719      3.161288      6.042590
  H      -6.415397      5.378193      6.304282
  H      -6.234314      1.175141      2.953756
  H     -10.639505      2.455910      2.948926
  H     -11.993983      4.111056      4.246218
  H     -10.907315      5.511075      5.994776
  H      -8.495088      5.298706      6.447083
  H       0.631822      0.307249      4.488300
  H      -0.703501      0.869432      3.452236
  H      -0.897423     -0.615956      6.160994
  H      -2.566080     -1.941311      5.238927
  H      -3.869597      1.471717      1.360659
  H      -5.796935     -2.522679      0.156254
  H      -5.636454     -4.869907      1.007484
  H      -4.151230     -5.398561      2.936251
  H      -2.863167     -3.609855      4.050156
  H      -3.285477     -0.420222      8.257784
  H      -3.861595     -0.118835      6.603621
  H      -4.649852      1.734524      8.932040
  H      -6.826642      1.649645      8.134854
  H      -5.642045     -1.957987      4.311305
  H     -10.167840     -1.317203      4.006022
  H     -11.840280      0.078331      5.238771
  H     -11.096134      1.538954      7.112971
  H      -8.736346      1.625884      7.770110
  N      -2.618712      3.510709      4.596799
90
Coordinates from ORCA-job orca E -6199.436113710620
  N      -2.461554      4.568276      7.260345
  Mo     -2.019225      2.968515      6.048865
  N      -2.548747      1.348664      7.346336
  C      -1.444286      1.261281      8.339037
  C      -0.727263      2.602291      8.703610
  N      -0.221052      3.372102      7.493782
  C      -0.105916      4.839815      7.752325
  C      -1.520835      5.397014      7.995309
  C       1.086994      2.809645      6.980557
  C       0.923490      2.697578      5.458818
  N      -0.344521      1.997551      5.259264
  H      -1.563695      6.455874      7.669295
  H      -1.742032      5.406290      9.085998
  H       0.339497      5.286307      6.852858
  H       0.572443      5.022209      8.603849
  H       1.766524      2.154645      4.997611
  H       0.922473      3.712040      5.006975
  H       1.202171      1.798404      7.392482
  H       1.924134      3.434228      7.336756
  H      -1.830827      0.886366      9.306132
  H      -0.677064      0.526081      8.011490
  H      -1.429684      3.250949      9.237862
  H       0.123481      2.379317      9.369718
  C      -3.866725      4.979136      7.295222
  C      -4.705583      4.135605      6.374169
  C      -5.964826      4.419612      5.986822
  C      -6.747601      3.570288      5.102027
  N      -6.100225      2.620308      4.419645
  C      -6.804010      1.897779      3.522437
  N      -8.084839      2.013924      3.214672
  C      -8.786850      2.946863      3.925237
  C     -10.170918      3.102168      3.669344
  C     -10.910164      4.024647      4.379918
  C     -10.298063      4.820941      5.374023
  C      -8.948445      4.694658      5.638666
  C      -8.159893      3.765169      4.918310
  C      -0.375038      0.771307      4.472789
  C      -1.176885     -0.323786      5.118988
  C      -2.175311     -1.078682      4.613814
  C      -2.925098     -0.905042      3.371703
  N      -3.021713      0.315292      2.839936
  C      -3.818312      0.463820      1.757551
  N      -4.554076     -0.455734      1.154689
  C      -4.458271     -1.720130      1.662789
  C      -5.215678     -2.762455      1.074769
  C      -5.117519     -4.049794      1.561439
  C      -4.255594     -4.346504      2.643029
  C      -3.516152     -3.346096      3.241767
  C      -3.614592     -2.013406      2.779770
  C      -3.597022      0.353671      7.495716
  C      -4.823782      1.015500      8.060156
  C      -6.101008      0.948043      7.626897
  C      -6.664589      0.131706      6.558158
  N      -5.861750     -0.662438      5.844066
  C      -6.404595     -1.399176      4.854393
  N      -7.672662     -1.460888      4.489913
  C      -8.529850     -0.666592      5.198610
  C      -9.903441     -0.680298      4.853310
  C     -10.801215      0.106223      5.541548
  C     -10.361140      0.934017      6.598597
  C      -9.028736      0.968777      6.953308
  C      -8.075991      0.173005      6.267238
  H      -4.010055      6.060490      7.089712
  H      -4.262171      4.811718      8.326558
  H      -4.335812      3.152395      6.040081
  H      -6.416575      5.364204      6.303423
  H      -6.230124      1.140534      2.976395
  H     -10.621579      2.465226      2.907840
  H     -11.976812      4.139071      4.180841
  H     -10.898134      5.538828      5.934797
  H      -8.493301      5.307689      6.416545
  H       0.658477      0.366514      4.428208
  H      -0.702702      0.936683      3.430170
  H      -0.831515     -0.589154      6.122161
  H      -2.504042     -1.921816      5.225560
  H      -3.878227      1.481008      1.358357
  H      -5.866291     -2.509559      0.237269
  H      -5.705336     -4.849435      1.108688
  H      -4.177652     -5.372208      3.005750
  H      -2.847301     -3.581899      4.070084
  H      -3.259321     -0.455281      8.171576
  H      -3.844416     -0.110826      6.530467
  H      -4.625997      1.689917      8.900486
  H      -6.812000      1.595813      8.139031
  H      -5.691797     -2.013081      4.295644
  H     -10.211422     -1.321871      4.027602
  H     -11.857106      0.099432      5.267442
  H     -11.080088      1.558424      7.129905
  H      -8.714346      1.619238      7.767775
  N      -2.629391      3.492898      4.588902
90
Coordinates from ORCA-job orca E -6199.439904778103
  N      -2.463651      4.566573      7.265889
  Mo     -2.008200      2.977632      6.048341
  N      -2.537303      1.346673      7.320358
  C      -1.438803      1.249431      8.318906
  C      -0.728488      2.587769      8.704887
  N      -0.216727      3.374156      7.507988
  C      -0.112176      4.838674      7.783592
  C      -1.531495      5.384394      8.024697
  C       1.095843      2.822925      6.995975
  C       0.940133      2.722319      5.472942
  N      -0.325302      2.020554      5.261827
  H      -1.576999      6.449002      7.719598
  H      -1.761893      5.370768      9.113199
  H       0.334405      5.298144      6.891149
  H       0.560807      5.017003      8.640320
  H       1.786163      2.183899      5.011950
  H       0.940935      3.740044      5.028798
  H       1.214706      1.809464      7.401143
  H       1.928421      3.449207      7.359426
  H      -1.829959      0.860742      9.278574
  H      -0.667782      0.521326      7.985345
  H      -1.436827      3.227697      9.241880
  H       0.117356      2.358368      9.374948
  C      -3.869861      4.972076      7.300974
  C      -4.704068      4.123560      6.381424
  C      -5.964242      4.406025      5.994756
  C      -6.745786      3.554825      5.110937
  N      -6.101486      2.589367      4.447130
  C      -6.802428      1.865044      3.549416
  N      -8.077817      1.992755      3.223965
  C      -8.777527      2.942154      3.914823
  C     -10.156313      3.110347      3.639618
  C     -10.893863      4.048685      4.331022
  C     -10.285083      4.848716      5.324125
  C      -8.940389      4.710032      5.607141
  C      -8.153515      3.763540      4.907284
  C      -0.358114      0.820444      4.436827
  C      -1.133678     -0.296952      5.076954
  C      -2.133488     -1.058052      4.584444
  C      -2.911915     -0.884896      3.360180
  N      -3.010555      0.332348      2.821705
  C      -3.833951      0.480665      1.759659
  N      -4.594277     -0.435926      1.183468
  C      -4.497942     -1.697313      1.698837
  C      -5.283026     -2.735796      1.141174
  C      -5.185350     -4.020162      1.635841
  C      -4.296125     -4.317962      2.694721
  C      -3.529233     -3.320967      3.263981
  C      -3.626629     -1.990892      2.794224
  C      -3.583824      0.347589      7.447637
  C      -4.810274      0.991375      8.034048
  C      -6.092780      0.913254      7.618599
  C      -6.663116      0.091961      6.558008
  N      -5.867286     -0.721095      5.856878
  C      -6.416910     -1.467367      4.877890
  N      -7.685138     -1.521342      4.512818
  C      -8.534821     -0.706775      5.207469
  C      -9.907590     -0.710002      4.858858
  C     -10.797630      0.098936      5.531080
  C     -10.350110      0.939558      6.574699
  C      -9.018223      0.964159      6.932494
  C      -8.073471      0.144915      6.263322
  H      -4.018033      6.052584      7.095360
  H      -4.264254      4.804437      8.332558
  H      -4.329643      3.143332      6.044123
  H      -6.416568      5.351629      6.307125
  H      -6.230927      1.094983      3.018988
  H     -10.604681      2.470050      2.879569
  H     -11.956577      4.172973      4.117361
  H     -10.883819      5.579371      5.869637
  H      -8.488171      5.326211      6.384205
  H       0.678255      0.428499      4.358282
  H      -0.711060      1.011995      3.407380
  H      -0.767002     -0.569040      6.070966
  H      -2.442261     -1.907015      5.198275
  H      -3.894706      1.495421      1.354432
  H      -5.954807     -2.482454      0.320711
  H      -5.795094     -4.816610      1.207136
  H      -4.219645     -5.341450      3.063943
  H      -2.840544     -3.556256      4.075907
  H      -3.241525     -0.478819      8.099571
  H      -3.833844     -0.093696      6.471957
  H      -4.606907      1.664507      8.873988
  H      -6.802247      1.553793      8.141794
  H      -5.710851     -2.098415      4.329983
  H     -10.221107     -1.361325      4.042918
  H     -11.852764      0.100418      5.254028
  H     -11.062516      1.582402      7.092698
  H      -8.697928      1.626603      7.734921
  N      -2.644802      3.474117      4.588003
90
Coordinates from ORCA-job orca E -6199.443733138499
  N      -2.466603      4.565635      7.270069
  Mo     -1.998860      2.985989      6.048116
  N      -2.526538      1.344452      7.294142
  C      -1.434028      1.236046      8.296869
  C      -0.731495      2.571941      8.705359
  N      -0.214301      3.374773      7.522838
  C      -0.119821      4.835828      7.814719
  C      -1.543099      5.371244      8.052678
  C       1.102216      2.833664      7.012620
  C       0.954890      2.744873      5.488329
  N      -0.308453      2.042849      5.264738
  H      -1.590221      6.441178      7.768034
  H      -1.783455      5.335464      9.138384
  H       0.328731      5.307601      6.929590
  H       0.547196      5.010097      8.677048
  H       1.803630      2.210090      5.028065
  H       0.958531      3.765910      5.052079
  H       1.223844      1.817860      7.410923
  H       1.930752      3.460762      7.383503
  H      -1.829386      0.832505      9.248554
  H      -0.659325      0.515477      7.956116
  H      -1.445987      3.202471      9.245365
  H       0.109545      2.336145      9.379208
  C      -3.873836      4.965984      7.306217
  C      -4.704620      4.113668      6.388045
  C      -5.965071      4.395458      6.000914
  C      -6.744876      3.542865      5.117058
  N      -6.103557      2.562917      4.471460
  C      -6.801575      1.836433      3.573516
  N      -8.071544      1.974094      3.231366
  C      -8.768985      2.938588      3.903274
  C     -10.142667      3.117599      3.610189
  C     -10.878733      4.070225      4.283389
  C     -10.273358      4.874444      5.275182
  C      -8.933449      4.725438      5.575126
  C      -8.148019      3.763717      4.894565
  C      -0.344413      0.870297      4.401808
  C      -1.092482     -0.270104      5.034087
  C      -2.092180     -1.038455      4.553062
  C      -2.897391     -0.866985      3.346229
  N      -2.996877      0.346197      2.798657
  C      -3.844875      0.493306      1.756167
  N      -4.628702     -0.420439      1.207811
  C      -4.532365     -1.678013      1.732322
  C      -5.342738     -2.712903      1.205027
  C      -5.245039     -3.993940      1.708208
  C      -4.330456     -4.292167      2.745050
  C      -3.538997     -3.298190      3.285296
  C      -3.635781     -1.971007      2.807161
  C      -3.571767      0.342206      7.399133
  C      -4.796293      0.966881      8.010416
  C      -6.084466      0.878313      7.615013
  C      -6.662254      0.054305      6.561316
  N      -5.873997     -0.775977      5.871387
  C      -6.430943     -1.528947      4.901427
  N      -7.699376     -1.574229      4.536074
  C      -8.540906     -0.741140      5.218617
  C      -9.912923     -0.733024      4.867339
  C     -10.794493      0.096348      5.525776
  C     -10.338763      0.946818      6.557696
  C      -9.007302      0.960512      6.917892
  C      -8.071397      0.119739      6.263370
  H      -4.026244      6.045798      7.100756
  H      -4.266619      4.797928      8.338254
  H      -4.326042      3.136251      6.047919
  H      -6.417941      5.341802      6.309772
  H      -6.232513      1.054363      3.058420
  H     -10.588660      2.473686      2.851804
  H     -11.937612      4.202819      4.056175
  H     -10.870916      5.616613      5.806228
  H      -8.484207      5.345121      6.351064
  H       0.694089      0.493088      4.287967
  H      -0.724127      1.088184      3.387700
  H      -0.704736     -0.548673      6.018535
  H      -2.380264     -1.893696      5.167926
  H      -3.905648      1.504866      1.343104
  H      -6.033906     -2.459602      0.400853
  H      -5.874623     -4.787404      1.303391
  H      -4.254776     -5.313183      3.121157
  H      -2.831856     -3.532821      4.081248
  H      -3.224542     -0.502641      8.024279
  H      -3.826100     -0.073741      6.413310
  H      -4.586070      1.637059      8.850933
  H      -6.791706      1.510123      8.151681
  H      -5.732080     -2.175692      4.362935
  H     -10.232647     -1.391980      4.059983
  H     -11.848945      0.106625      5.246399
  H     -11.044087      1.606375      7.064253
  H      -8.680399      1.632400      7.709786
  N      -2.655815      3.454486      4.586155
90
Coordinates from ORCA-job orca E -6199.453251705766
  N      -2.468402      4.543903      7.240162
  Mo     -1.978209      2.967575      6.041065
  N      -2.501062      1.355896      7.263985
  C      -1.434045      1.243417      8.272517
  C      -0.741658      2.569085      8.691969
  N      -0.209761      3.368120      7.531152
  C      -0.137427      4.821805      7.821091
  C      -1.562165      5.345231      8.032821
  C       1.102596      2.834462      7.034920
  C       0.971037      2.742494      5.517230
  N      -0.283066      2.044043      5.280677
  H      -1.611982      6.414593      7.749789
  H      -1.823702      5.303161      9.112621
  H       0.319237      5.295807      6.940947
  H       0.511365      5.010594      8.694364
  H       1.823147      2.204018      5.068864
  H       0.979848      3.761532      5.078749
  H       1.224681      1.820271      7.436857
  H       1.928072      3.466003      7.404481
  H      -1.846985      0.834119      9.213135
  H      -0.658409      0.525400      7.933050
  H      -1.466643      3.197996      9.220438
  H       0.087099      2.331211      9.379952
  C      -3.868879      4.948255      7.283787
  C      -4.713825      4.096465      6.385967
  C      -5.975494      4.382360      6.004475
  C      -6.759439      3.530121      5.121181
  N      -6.125405      2.545560      4.474327
  C      -6.828278      1.827238      3.573051
  N      -8.097513      1.973734      3.230115
  C      -8.787786      2.940359      3.904849
  C     -10.160301      3.130286      3.610933
  C     -10.890184      4.086532      4.285938
  C     -10.279405      4.884977      5.279907
  C      -8.940285      4.726937      5.578951
  C      -8.160746      3.760451      4.896878
  C      -0.315977      0.894143      4.394220
  C      -1.042527     -0.259189      5.025273
  C      -2.047039     -1.030633      4.559918
  C      -2.877800     -0.856695      3.369911
  N      -2.976713      0.357150      2.822175
  C      -3.846038      0.515359      1.799750
  N      -4.650794     -0.389319      1.267503
  C      -4.554267     -1.649572      1.786277
  C      -5.387393     -2.672685      1.270491
  C      -5.293246     -3.957876      1.762628
  C      -4.358793     -4.273357      2.776137
  C      -3.545012     -3.291649      3.306618
  C      -3.637391     -1.956615      2.841636
  C      -3.549110      0.356455      7.351975
  C      -4.777570      0.957699      7.979946
  C      -6.071937      0.857650      7.601561
  C      -6.651848      0.032969      6.550264
  N      -5.864727     -0.808952      5.870384
  C      -6.424554     -1.564593      4.901600
  N      -7.692323     -1.602648      4.532191
  C      -8.530565     -0.757993      5.204890
  C      -9.901680     -0.743405      4.849737
  C     -10.779536      0.097887      5.498519
  C     -10.320593      0.954674      6.524085
  C      -8.989741      0.961675      6.888508
  C      -8.058759      0.106916      6.245621
  H      -4.013607      6.025782      7.067385
  H      -4.247767      4.797109      8.322055
  H      -4.334669      3.118835      6.053080
  H      -6.424155      5.331932      6.308963
  H      -6.266742      1.041901      3.056630
  H     -10.610474      2.491085      2.850236
  H     -11.948586      4.226968      4.058294
  H     -10.871980      5.630853      5.812561
  H      -8.486430      5.342952      6.355774
  H       0.725341      0.535885      4.253958
  H      -0.718394      1.129349      3.394796
  H      -0.631092     -0.540788      6.000989
  H      -2.319554     -1.886523      5.180556
  H      -3.905771      1.528650      1.389454
  H      -6.093789     -2.406834      0.483052
  H      -5.940962     -4.741762      1.366387
  H      -4.285978     -5.298484      3.142944
  H      -2.823715     -3.542458      4.084117
  H      -3.199557     -0.500428      7.959710
  H      -3.799130     -0.046441      6.361989
  H      -4.563791      1.624097      8.822938
  H      -6.779026      1.479194      8.151746
  H      -5.729416     -2.220693      4.367841
  H     -10.223914     -1.406993      4.046371
  H     -11.833490      0.113421      5.215265
  H     -11.022382      1.625495      7.022080
  H      -8.660190      1.640725      7.674268
  N      -2.679566      3.367599      4.569523
90
Coordinates from ORCA-job orca E -6199.461641950077
  N      -2.471982      4.511800      7.206201
  Mo     -1.953546      2.942065      6.034979
  N      -2.475349      1.375258      7.221258
  C      -1.441113      1.253263      8.240107
  C      -0.758461      2.564927      8.676053
  N      -0.206441      3.356912      7.542703
  C      -0.156693      4.803288      7.825087
  C      -1.583695      5.313899      8.004891
  C       1.100570      2.830681      7.063029
  C       0.984765      2.735116      5.551480
  N      -0.260226      2.041323      5.300866
  H      -1.636148      6.382367      7.718015
  H      -1.868737      5.272017      9.079389
  H       0.311032      5.278076      6.950322
  H       0.470172      5.011222      8.710913
  H       1.841248      2.194077      5.114568
  H       0.998688      3.753139      5.110716
  H       1.223154      1.817476      7.468057
  H       1.924886      3.465568      7.431122
  H      -1.878094      0.837510      9.166425
  H      -0.663998      0.533928      7.905851
  H      -1.495887      3.191845      9.190324
  H       0.053020      2.322450      9.384035
  C      -3.862542      4.925010      7.259966
  C      -4.730417      4.083682      6.383264
  C      -5.992957      4.376791      6.011509
  C      -6.783178      3.529839      5.124901
  N      -6.156279      2.548956      4.466269
  C      -6.866064      1.844454      3.558499
  N      -8.136176      2.001342      3.219658
  C      -8.818710      2.962168      3.908869
  C     -10.192659      3.161712      3.623884
  C     -10.916060      4.111033      4.315170
  C     -10.297496      4.894480      5.317423
  C      -8.957374      4.728287      5.606768
  C      -8.184119      3.767392      4.908086
  C      -0.286592      0.905759      4.398863
  C      -0.996370     -0.259823      5.025662
  C      -2.000517     -1.037157      4.569183
  C      -2.845596     -0.865618      3.388020
  N      -2.952167      0.347052      2.841239
  C      -3.834184      0.508145      1.830646
  N      -4.645004     -0.396159      1.306699
  C      -4.539456     -1.657226      1.822580
  C      -5.378956     -2.678811      1.312532
  C      -5.281134     -3.965399      1.799272
  C      -4.336422     -4.284311      2.802549
  C      -3.516222     -3.304885      3.327614
  C      -3.610526     -1.966880      2.867285
  C      -3.531435      0.382021      7.287138
  C      -4.760612      0.966181      7.927422
  C      -6.060717      0.862121      7.567289
  C      -6.649309      0.040794      6.517872
  N      -5.866138     -0.801643      5.832341
  C      -6.436979     -1.554895      4.865480
  N      -7.708672     -1.591720      4.508556
  C      -8.540490     -0.747868      5.189642
  C      -9.915450     -0.732195      4.848606
  C     -10.786122      0.109698      5.506533
  C     -10.316023      0.966805      6.527279
  C      -8.981064      0.973049      6.877813
  C      -8.058078      0.116490      6.225849
  H      -3.993349      6.002404      7.035059
  H      -4.223779      4.790959      8.306489
  H      -4.351984      3.108341      6.058396
  H      -6.436549      5.328252      6.317154
  H      -6.311951      1.061830      3.030351
  H     -10.648773      2.534265      2.856549
  H     -11.975303      4.258168      4.094227
  H     -10.884596      5.635735      5.863019
  H      -8.496799      5.332727      6.389056
  H       0.758371      0.565806      4.244389
  H      -0.702003      1.151551      3.408216
  H      -0.568420     -0.542619      5.994876
  H      -2.260848     -1.894843      5.193645
  H      -3.899533      1.522667      1.423584
  H      -6.094085     -2.410095      0.533610
  H      -5.934328     -4.747498      1.407677
  H      -4.261335     -5.310615      3.166302
  H      -2.789078     -3.560516      4.098574
  H      -3.186504     -0.484072      7.885466
  H      -3.773388     -0.011669      6.292770
  H      -4.541086      1.625342      8.775375
  H      -6.762686      1.473587      8.135343
  H      -5.748640     -2.209936      4.321402
  H     -10.246685     -1.395469      4.048223
  H     -11.843144      0.125711      5.233833
  H     -11.011764      1.639263      7.032136
  H      -8.643132      1.653520      7.659210
  N      -2.696218      3.272163      4.566427
90
Coordinates from ORCA-job orca E -6199.467468907125
  N      -2.470044      4.496379      7.176610
  Mo     -1.929253      2.921213      6.036308
  N      -2.460073      1.390091      7.192630
  C      -1.448709      1.258285      8.228090
  C      -0.770977      2.563629      8.678645
  N      -0.197063      3.351065      7.561550
  C      -0.161808      4.796531      7.832631
  C      -1.592508      5.301546      7.983912
  C       1.109789      2.825060      7.095106
  C       1.006447      2.723243      5.583869
  N      -0.237985      2.034465      5.319998
  H      -1.642972      6.369275      7.693008
  H      -1.897663      5.263618      9.053727
  H       0.317187      5.268362      6.961968
  H       0.447279      5.021719      8.727412
  H       1.865375      2.178317      5.156135
  H       1.029020      3.740460      5.140858
  H       1.232624      1.813720      7.505175
  H       1.933984      3.461743      7.461181
  H      -1.905039      0.838681      9.143366
  H      -0.670197      0.536511      7.901292
  H      -1.517738      3.190289      9.179985
  H       0.022541      2.315858      9.406056
  C      -3.855548      4.918033      7.235936
  C      -4.741724      4.078080      6.380695
  C      -6.003590      4.377625      6.013657
  C      -6.795862      3.528713      5.129167
  N      -6.169757      2.546643      4.472093
  C      -6.878506      1.843554      3.562868
  N      -8.147926      2.002414      3.221397
  C      -8.830205      2.962869      3.911117
  C     -10.204399      3.162974      3.626548
  C     -10.928228      4.109842      4.320104
  C     -10.310044      4.891426      5.324271
  C      -8.969840      4.725923      5.612133
  C      -8.196154      3.766847      4.911251
  C      -0.265237      0.918269      4.392457
  C      -0.957175     -0.265260      5.005995
  C      -1.963844     -1.042374      4.555035
  C      -2.826161     -0.863792      3.386937
  N      -2.932329      0.349042      2.842845
  C      -3.829623      0.518762      1.847698
  N      -4.653880     -0.379392      1.334419
  C      -4.546856     -1.642014      1.845969
  C      -5.400320     -2.657089      1.345972
  C      -5.305012     -3.944883      1.829321
  C      -4.349320     -4.271273      2.819789
  C      -3.515368     -3.298354      3.334576
  C      -3.605368     -1.959473      2.876611
  C      -3.526044      0.404606      7.237050
  C      -4.751376      0.975699      7.893851
  C      -6.055059      0.863163      7.553040
  C      -6.647519      0.039591      6.507747
  N      -5.864729     -0.806308      5.826189
  C      -6.438483     -1.563001      4.863485
  N      -7.710983     -1.602084      4.510676
  C      -8.541472     -0.755438      5.189366
  C      -9.917418     -0.741836      4.852511
  C     -10.785773      0.104386      5.507589
  C     -10.312587      0.968427      6.520971
  C      -8.976715      0.976791      6.867478
  C      -8.056418      0.114780      6.219013
  H      -3.975944      5.993902      6.996544
  H      -4.204097      4.806101      8.289894
  H      -4.364897      3.102293      6.066598
  H      -6.443404      5.332644      6.312881
  H      -6.325012      1.060400      3.034695
  H     -10.660146      2.537097      2.857952
  H     -11.987399      4.256725      4.099684
  H     -10.897279      5.630980      5.871594
  H      -8.509042      5.328829      6.395225
  H       0.780654      0.593315      4.214825
  H      -0.698801      1.183430      3.414881
  H      -0.512200     -0.559059      5.964375
  H      -2.213550     -1.904806      5.176957
  H      -3.895885      1.534701      1.445203
  H      -6.124647     -2.382080      0.578126
  H      -5.969225     -4.721572      1.446183
  H      -4.277122     -5.298086      3.182136
  H      -2.781445     -3.559839      4.096775
  H      -3.185483     -0.473182      7.821147
  H      -3.765721      0.024919      6.237263
  H      -4.525453      1.629810      8.744119
  H      -6.753594      1.464151      8.135612
  H      -5.752391     -2.220477      4.320380
  H     -10.251309     -1.409728      4.057332
  H     -11.843340      0.118800      5.237800
  H     -11.006159      1.645125      7.022624
  H      -8.636526      1.663777      7.641799
  N      -2.714642      3.177717      4.576038
90
Coordinates from ORCA-job orca E -6199.472318905266
  N      -2.470177      4.489233      7.148909
  Mo     -1.908955      2.902956      6.036611
  N      -2.453868      1.394959      7.169681
  C      -1.458873      1.253588      8.223835
  C      -0.784380      2.557412      8.687981
  N      -0.189075      3.344821      7.582249
  C      -0.165193      4.791728      7.843885
  C      -1.600050      5.295115      7.968757
  C       1.120273      2.816800      7.126172
  C       1.030615      2.710934      5.612246
  N      -0.216066      2.028026      5.331673
  H      -1.645097      6.362757      7.676215
  H      -1.924316      5.260336      9.033371
  H       0.325832      5.260467      6.978121
  H       0.427682      5.030538      8.746529
  H       1.891914      2.162261      5.193846
  H       1.063692      3.727819      5.168862
  H       1.242540      1.806993      7.540553
  H       1.944134      3.453979      7.492130
  H      -1.930576      0.830464      9.129580
  H      -0.679339      0.530624      7.903069
  H      -1.538385      3.184361      9.178144
  H      -0.007803      2.304038      9.432224
  C      -3.854473      4.917655      7.211173
  C      -4.755799      4.075869      6.373860
  C      -6.016210      4.382747      6.008968
  C      -6.811175      3.533149      5.126209
  N      -6.186256      2.550928      4.468752
  C      -6.894375      1.849919      3.557973
  N      -8.163213      2.010510      3.215375
  C      -8.845271      2.969220      3.907594
  C     -10.220131      3.168523      3.625797
  C     -10.944462      4.111014      4.324307
  C     -10.326201      4.889836      5.330563
  C      -8.985204      4.726208      5.614833
  C      -8.211304      3.771153      4.909142
  C      -0.242613      0.933939      4.375241
  C      -0.910284     -0.270605      4.975039
  C      -1.918293     -1.049202      4.530175
  C      -2.799372     -0.865343      3.376315
  N      -2.907154      0.346704      2.832245
  C      -3.821251      0.520719      1.853376
  N      -4.657263     -0.374241      1.353590
  C      -4.546323     -1.637154      1.863320
  C      -5.410613     -2.649560      1.376744
  C      -5.313870     -3.936899      1.860875
  C      -4.346586     -4.265054      2.839510
  C      -3.501896     -3.294557      3.340611
  C      -3.591545     -1.957313      2.880223
  C      -3.528985      0.416700      7.193652
  C      -4.746263      0.977211      7.872034
  C      -6.053306      0.857703      7.551453
  C      -6.650447      0.037501      6.506341
  N      -5.869688     -0.808224      5.823208
  C      -6.446269     -1.561249      4.859702
  N      -7.719690     -1.599238      4.510802
  C      -8.548057     -0.753514      5.193052
  C      -9.924904     -0.737949      4.860171
  C     -10.789750      0.109868      5.517497
  C     -10.312393      0.973914      6.528860
  C      -8.975770      0.980361      6.871598
  C      -8.059351      0.115606      6.221404
  H      -3.967275      5.991316      6.956886
  H      -4.194004      4.827489      8.270689
  H      -4.380162      3.098152      6.068537
  H      -6.451939      5.341166      6.302804
  H      -6.340829      1.067858      3.028336
  H     -10.675982      2.544840      2.855696
  H     -12.004095      4.256700      4.106307
  H     -10.913845      5.626014      5.881588
  H      -8.523630      5.326811      6.399086
  H       0.803939      0.627181      4.170881
  H      -0.698849      1.218074      3.413971
  H      -0.446551     -0.576244      5.920703
  H      -2.154429     -1.917952      5.148076
  H      -3.891167      1.537093      1.453331
  H      -6.144803     -2.372601      0.619304
  H      -5.986652     -4.711303      1.488826
  H      -4.274402     -5.290969      3.203902
  H      -2.760379     -3.556161      4.095008
  H      -3.191719     -0.475267      7.758339
  H      -3.770803      0.056271      6.187324
  H      -4.511744      1.624176      8.725316
  H      -6.747986      1.446265      8.150723
  H      -5.761815     -2.216784      4.312735
  H     -10.262256     -1.405005      4.065992
  H     -11.847858      0.125913      5.250690
  H     -11.003105      1.652631      7.031260
  H      -8.631964      1.668384      7.643177
  N      -2.732907      3.090727      4.590262
90
Coordinates from ORCA-job orca E -6199.476635967577
  N      -2.472630      4.487941      7.121896
  Mo     -1.891753      2.887171      6.034618
  N      -2.450707      1.392988      7.153873
  C      -1.467980      1.242976      8.226322
  C      -0.796108      2.547912      8.701503
  N      -0.182106      3.337466      7.603931
  C      -0.168562      4.786419      7.857577
  C      -1.607487      5.290733      7.957138
  C       1.129919      2.806522      7.155570
  C       1.055747      2.698851      5.637476
  N      -0.194179      2.023655      5.335811
  H      -1.644210      6.358939      7.665181
  H      -1.950403      5.257830      9.016016
  H       0.334859      5.252329      6.997373
  H       0.408837      5.036322      8.767619
  H       1.919684      2.146073      5.229938
  H       1.101218      3.715739      5.195230
  H       1.250497      1.797813      7.573471
  H       1.953730      3.442991      7.522699
  H      -1.951804      0.816902      9.124009
  H      -0.687642      0.519873      7.909627
  H      -1.555662      3.175803      9.181935
  H      -0.034149      2.289759      9.459461
  C      -3.857969      4.922427      7.186354
  C      -4.773383      4.077828      6.364325
  C      -6.031777      4.392613      6.000828
  C      -6.830367      3.542896      5.120298
  N      -6.206559      2.561824      4.460550
  C      -6.914557      1.862586      3.548632
  N      -8.183736      2.023690      3.207524
  C      -8.865824      2.979164      3.904483
  C     -10.242165      3.175816      3.628507
  C     -10.966953      4.112315      4.334470
  C     -10.347752      4.888292      5.342245
  C      -9.005041      4.728202      5.620186
  C      -8.231121      3.779113      4.907098
  C      -0.216602      0.952251      4.349727
  C      -0.856963     -0.274713      4.935304
  C      -1.866282     -1.056187      4.497530
  C      -2.767440     -0.869962      3.358927
  N      -2.877234      0.339978      2.811312
  C      -3.810364      0.515773      1.850671
  N      -4.658673     -0.377104      1.368151
  C      -4.543603     -1.639052      1.878896
  C      -5.419273     -2.649832      1.409835
  C      -5.321688     -3.935077      1.899416
  C      -4.343285     -4.262252      2.867283
  C      -3.486893     -3.293174      3.350698
  C      -3.574868     -1.959162      2.882369
  C      -3.534186      0.422277      7.158852
  C      -4.742097      0.972810      7.860155
  C      -6.051890      0.846863      7.557134
  C      -6.652416      0.033118      6.508696
  N      -5.873873     -0.812013      5.823606
  C      -6.451144     -1.557871      4.855632
  N      -7.724698     -1.592269      4.507095
  C      -8.551484     -0.747846      5.193034
  C      -9.928284     -0.727168      4.860187
  C     -10.789909      0.122646      5.518999
  C     -10.309687      0.983899      6.531446
  C      -8.973321      0.985160      6.874507
  C      -8.060477      0.117237      6.223464
  H      -3.964735      5.993545      6.917881
  H      -4.190179      4.852803      8.250032
  H      -4.398816      3.097751      6.065517
  H      -6.463114      5.354101      6.291005
  H      -6.359871      1.083147      3.015698
  H     -10.698902      2.554404      2.857213
  H     -12.027803      4.255394      4.121260
  H     -10.935939      5.619594      5.898935
  H      -8.541855      5.326343      6.405350
  H       0.830307      0.666271      4.118725
  H      -0.697187      1.253418      3.406489
  H      -0.374938     -0.591265      5.868002
  H      -2.087473     -1.931069      5.111831
  H      -3.885697      1.531864      1.451436
  H      -6.163472     -2.372938      0.662350
  H      -6.003547     -4.708035      1.541501
  H      -4.271966     -5.285998      3.237605
  H      -2.737932     -3.552865      4.098154
  H      -3.200041     -0.485187      7.700804
  H      -3.780078      0.085877      6.145219
  H      -4.499318      1.611951      8.716774
  H      -6.743890      1.422310      8.171879
  H      -5.767055     -2.210580      4.305220
  H     -10.268028     -1.391056      4.064525
  H     -11.847816      0.142972      5.252112
  H     -10.997953      1.664941      7.033790
  H      -8.626402      1.671857      7.645740
  N      -2.750261      3.014184      4.604233
90
Coordinates from ORCA-job orca E -6199.480519943054
  N      -2.478797      4.487944      7.093691
  Mo     -1.878070      2.872059      6.028489
  N      -2.447092      1.385052      7.144706
  C      -1.474704      1.227931      8.232644
  C      -0.806642      2.534615      8.716298
  N      -0.178165      3.326737      7.625484
  C      -0.175588      4.777146      7.872257
  C      -1.617960      5.282969      7.946932
  C       1.135528      2.793561      7.183055
  C       1.079246      2.686610      5.660935
  N      -0.173193      2.021348      5.333207
  H      -1.644392      6.352473      7.658270
  H      -1.979474      5.249717      8.999518
  H       0.340291      5.241193      7.018344
  H       0.386129      5.036473      8.789801
  H       1.946354      2.129188      5.266674
  H       1.139004      3.703772      5.221270
  H       1.253426      1.785351      7.603272
  H       1.959545      3.428294      7.552832
  H      -1.968150      0.798997      9.123349
  H      -0.692892      0.505855      7.918339
  H      -1.571176      3.163339      9.188005
  H      -0.056310      2.273761      9.485146
  C      -3.865919      4.928055      7.160145
  C      -4.794999      4.081816      6.350792
  C      -6.050827      4.405026      5.988033
  C      -6.853305      3.556470      5.108700
  N      -6.230000      2.579336      4.443144
  C      -6.938311      1.882918      3.529217
  N      -8.208807      2.043520      3.192255
  C      -8.891282      2.992961      3.897470
  C     -10.269804      3.185696      3.629896
  C     -10.995160      4.113712      4.346637
  C     -10.374461      4.885404      5.356766
  C      -9.029359      4.729941      5.626114
  C      -8.255318      3.789519      4.902149
  C      -0.187013      0.972550      4.318903
  C      -0.798764     -0.276169      4.891103
  C      -1.809055     -1.061850      4.461460
  C      -2.730088     -0.876327      3.338359
  N      -2.840719      0.330058      2.783012
  C      -3.793229      0.505985      1.841163
  N      -4.654177     -0.385290      1.378600
  C      -4.536135     -1.645122      1.893573
  C      -5.423491     -2.654462      1.443925
  C      -5.327010     -3.936354      1.942588
  C      -4.339221     -4.261096      2.901664
  C      -3.470432     -3.293427      3.365542
  C      -3.554379     -1.963439      2.885249
  C      -3.537571      0.422020      7.132584
  C      -4.735755      0.962968      7.857027
  C      -6.048269      0.832398      7.569312
  C      -6.652465      0.028965      6.514631
  N      -5.876922     -0.814526      5.825249
  C      -6.454892     -1.549836      4.850073
  N      -7.728526     -1.578270      4.500975
  C      -8.553197     -0.736182      5.192673
  C      -9.929827     -0.708299      4.859314
  C     -10.787886      0.142373      5.521725
  C     -10.304517      0.997556      6.537986
  C      -8.968458      0.991490      6.882039
  C      -8.059550      0.121536      6.228041
  H      -3.967338      5.996684      6.879420
  H      -4.191708      4.876194      8.226763
  H      -4.422006      3.099802      6.056090
  H      -6.477594      5.369027      6.276877
  H      -6.381542      1.108654      2.989994
  H     -10.727959      2.567737      2.856618
  H     -12.057847      4.253195      4.140161
  H     -10.963398      5.609716      5.921782
  H      -8.564056      5.324416      6.412943
  H       0.860148      0.709998      4.063583
  H      -0.692037      1.287431      3.394130
  H      -0.300189     -0.600923      5.812129
  H      -2.014457     -1.942123      5.073221
  H      -3.874203      1.521089      1.440710
  H      -6.176549     -2.378626      0.704950
  H      -6.018281     -4.707983      1.600141
  H      -4.270404     -5.281751      3.280923
  H      -2.715240     -3.551151      4.107383
  H      -3.206662     -0.501713      7.649009
  H      -3.789164      0.113779      6.111427
  H      -4.484702      1.593369      8.717503
  H      -6.738000      1.394141      8.199212
  H      -5.771242     -2.198693      4.294755
  H     -10.272161     -1.366531      4.060062
  H     -11.845571      0.168660      5.254368
  H     -10.990230      1.679989      7.041964
  H      -8.617872      1.674004      7.655376
  N      -2.766242      2.947441      4.613877
90
Coordinates from ORCA-job orca E -6199.484031063528
  N      -2.487341      4.486950      7.063992
  Mo     -1.867470      2.857419      6.018840
  N      -2.439875      1.374560      7.141886
  C      -1.478054      1.211361      8.241350
  C      -0.815995      2.518917      8.731700
  N      -0.177795      3.312171      7.646881
  C      -0.186706      4.763070      7.886621
  C      -1.631336      5.270002      7.936887
  C       1.135884      2.777703      7.209198
  C       1.099113      2.673768      5.684203
  N      -0.154500      2.021249      5.326542
  H      -1.646507      6.341395      7.654065
  H      -2.011221      5.234210      8.982772
  H       0.341291      5.225910      7.039278
  H       0.359020      5.031178      8.811632
  H       1.969252      2.110538      5.305180
  H       1.175291      3.691294      5.248334
  H       1.250152      1.769348      7.630389
  H       1.960646      3.409488      7.582852
  H      -1.979658      0.778980      9.125506
  H      -0.693592      0.491304      7.928818
  H      -1.585736      3.147873      9.195143
  H      -0.074451      2.258180      9.509440
  C      -3.875531      4.933034      7.132239
  C      -4.818228      4.087445      6.333960
  C      -6.071140      4.419287      5.971288
  C      -6.877656      3.571472      5.093609
  N      -6.254583      2.598649      4.421937
  C      -6.963916      1.903737      3.507303
  N      -8.236397      2.062476      3.176254
  C      -8.919037      3.005976      3.889593
  C     -10.300019      3.193956      3.631289
  C     -11.025536      4.114139      4.358228
  C     -10.402715      4.882937      5.369330
  C      -9.055069      4.732746      5.629410
  C      -8.281177      3.800443      4.894982
  C      -0.157333      0.994960      4.286245
  C      -0.740971     -0.274122      4.845291
  C      -1.752370     -1.064268      4.424500
  C      -2.693275     -0.880613      3.317841
  N      -2.804052      0.321513      2.752680
  C      -3.775777      0.497622      1.830309
  N      -4.649421     -0.391754      1.388811
  C      -4.529148     -1.649103      1.909230
  C      -5.428267     -2.656399      1.478768
  C      -5.334332     -3.934633      1.987244
  C      -4.338361     -4.257121      2.938455
  C      -3.456875     -3.291654      3.382943
  C      -3.535227     -1.965530      2.889992
  C      -3.535823      0.419186      7.113570
  C      -4.725670      0.949981      7.859301
  C      -6.040770      0.816158      7.584395
  C      -6.648492      0.024033      6.522868
  N      -5.876241     -0.819484      5.830407
  C      -6.455093     -1.544797      4.848313
  N      -7.728491     -1.565926      4.497476
  C      -8.550534     -0.724210      5.193097
  C      -9.926704     -0.688280      4.858308
  C     -10.781043      0.164609      5.522875
  C     -10.294513      1.014346      6.542356
  C      -8.958937      1.000031      6.888376
  C      -8.054221      0.126675      6.233021
  H      -3.971338      5.999420      6.841284
  H      -4.195318      4.895966      8.200959
  H      -4.448339      3.103812      6.041582
  H      -6.493121      5.385700      6.259425
  H      -6.405064      1.134724      2.961847
  H     -10.760132      2.578467      2.857090
  H     -12.090257      4.249407      4.159096
  H     -10.992136      5.600678      5.942318
  H      -8.587233      5.324645      6.416858
  H       0.889680      0.757661      4.008621
  H      -0.686273      1.321342      3.380041
  H      -0.227002     -0.605448      5.755495
  H      -1.940957     -1.949847      5.033873
  H      -3.862044      1.511460      1.427711
  H      -6.189156     -2.381257      0.747515
  H      -6.035071     -4.704442      1.660039
  H      -4.272947     -5.274459      3.327297
  H      -2.696316     -3.549194      4.119438
  H      -3.208657     -0.521021      7.602353
  H      -3.793596      0.142214      6.085009
  H      -4.467157      1.571735      8.723665
  H      -6.728669      1.364844      8.227931
  H      -5.772470     -2.191826      4.289742
  H     -10.271582     -1.341464      4.055935
  H     -11.838312      0.197488      5.254312
  H     -10.977520      1.699228      7.046842
  H      -8.604474      1.678598      7.663582
  N      -2.780695      2.889018      4.618515
90
Coordinates from ORCA-job orca E -6199.487230712605
  N      -2.496916      4.483742      7.033318
  Mo     -1.860054      2.842983      6.007134
  N      -2.429220      1.363591      7.144960
  C      -1.479540      1.194597      8.252251
  C      -0.825602      2.501634      8.748236
  N      -0.181709      3.293530      7.668464
  C      -0.201515      4.744305      7.899915
  C      -1.646953      5.251988      7.926612
  C       1.130499      2.758224      7.234680
  C       1.113941      2.659419      5.708146
  N      -0.139608      2.022913      5.318262
  H      -1.650690      6.325674      7.651698
  H      -2.044773      5.211991      8.965530
  H       0.338150      5.205794      7.058931
  H       0.328283      5.021202      8.831973
  H       1.986066      2.088712      5.345160
  H       1.208855      3.677249      5.277188
  H       1.240187      1.749019      7.655343
  H       1.956728      3.385573      7.613365
  H      -1.988803      0.757898      9.129765
  H      -0.691375      0.477025      7.942208
  H      -1.601102      3.130212      9.203272
  H      -0.090832      2.243992      9.533891
  C      -3.884888      4.936520      7.102352
  C      -4.840813      4.093877      6.314109
  C      -6.090433      4.434213      5.949975
  C      -6.900186      3.584961      5.075274
  N      -6.276862      2.613961      4.401433
  C      -6.987010      1.917002      3.488648
  N      -8.261149      2.072764      3.162199
  C      -8.944005      3.013559      3.878996
  C     -10.326939      3.196673      3.627343
  C     -11.052694      4.112767      4.359412
  C     -10.428387      4.882592      5.368943
  C      -9.078818      4.737692      5.622277
  C      -8.304812      3.809718      4.882437
  C      -0.131175      1.019336      4.254034
  C      -0.687242     -0.269068      4.798690
  C      -1.699996     -1.062941      4.386469
  C      -2.660840     -0.879585      3.297627
  N      -2.771514      0.318661      2.723372
  C      -3.761139      0.496508      1.820426
  N      -4.646752     -0.390197      1.398498
  C      -4.524633     -1.645652      1.923225
  C      -5.434282     -2.650217      1.508682
  C      -5.343110     -3.925659      2.024502
  C      -4.340198     -4.247172      2.968527
  C      -3.447286     -3.284644      3.396690
  C      -3.519873     -1.961456      2.893706
  C      -3.529496      0.415495      7.101499
  C      -4.711787      0.936506      7.866848
  C      -6.029488      0.800961      7.604120
  C      -6.641149      0.019422      6.537056
  N      -5.872181     -0.825579      5.842787
  C      -6.452894     -1.543196      4.855819
  N      -7.726113     -1.557381      4.503898
  C      -8.544995     -0.714167      5.201659
  C      -9.920867     -0.671148      4.866399
  C     -10.771322      0.184984      5.532013
  C     -10.281107      1.031401      6.552567
  C      -8.945736      1.009750      6.899540
  C      -8.045506      0.131971      6.244049
  H      -3.974280      6.000943      6.802723
  H      -4.199462      4.911760      8.172537
  H      -4.476428      3.108368      6.023127
  H      -6.507608      5.403466      6.235709
  H      -6.426325      1.150527      2.940964
  H     -10.788538      2.580688      2.854327
  H     -12.119001      4.243810      4.165581
  H     -11.018340      5.596735      5.945988
  H      -8.609100      5.330182      6.408289
  H       0.915129      0.808975      3.955189
  H      -0.683405      1.356064      3.366555
  H      -0.157735     -0.607049      5.697604
  H      -1.870548     -1.954977      4.991660
  H      -3.851866      1.509424      1.416363
  H      -6.201752     -2.374520      0.784493
  H      -6.052239     -4.693167      1.710018
  H      -4.277970     -5.261775      3.365128
  H      -2.682337     -3.544363      4.127904
  H      -3.206468     -0.540642      7.561481
  H      -3.794584      0.170510      6.066619
  H      -4.445597      1.550338      8.734442
  H      -6.715036      1.337963      8.260207
  H      -5.772264     -2.190508      4.295302
  H     -10.268636     -1.321076      4.062556
  H     -11.828338      0.223597      5.262983
  H     -10.961140      1.719547      7.056767
  H      -8.586995      1.685808      7.675167
  N      -2.794169      2.836712      4.619895
90
Coordinates from ORCA-job orca E -6199.490137260395
  N      -2.506753      4.478010      7.003839
  Mo     -1.856177      2.830257      5.993895
  N      -2.416857      1.353338      7.148794
  C      -1.480740      1.176231      8.260980
  C      -0.836354      2.481043      8.764487
  N      -0.190028      3.271092      7.689466
  C      -0.219168      4.721382      7.912909
  C      -1.664267      5.229348      7.918526
  C       1.120057      2.736146      7.257681
  C       1.123061      2.646617      5.730395
  N      -0.129537      2.029073      5.307437
  H      -1.657597      6.305938      7.654645
  H      -2.079189      5.182316      8.950326
  H       0.331267      5.181923      7.078139
  H       0.295613      5.006186      8.851390
  H       1.995667      2.067564      5.381923
  H       1.238137      3.665122      5.306555
  H       1.224954      1.724781      7.674602
  H       1.948249      3.357276      7.643268
  H      -1.997349      0.732510      9.130766
  H      -0.688033      0.461767      7.953400
  H      -1.618162      3.107740      9.212062
  H      -0.107050      2.227817      9.557213
  C      -3.893407      4.937831      7.073003
  C      -4.861660      4.100823      6.293003
  C      -6.107918      4.449811      5.926540
  C      -6.921251      3.598216      5.056053
  N      -6.299131      2.626302      4.382463
  C      -7.011660      1.925610      3.474216
  N      -8.287180      2.079091      3.152365
  C      -8.968492      3.020577      3.869491
  C     -10.352922      3.200547      3.623537
  C     -11.077247      4.116398      4.357330
  C     -10.450162      4.889456      5.362761
  C      -9.099171      4.748087      5.610191
  C      -8.326573      3.820438      4.868361
  C      -0.110003      1.048188      4.221138
  C      -0.634674     -0.259523      4.751491
  C      -1.647271     -1.058949      4.348787
  C      -2.629587     -0.876047      3.280077
  N      -2.743107      0.318332      2.697704
  C      -3.750840      0.497349      1.815468
  N      -4.646930     -0.387711      1.413326
  C      -4.520352     -1.641383      1.941628
  C      -5.438388     -2.644557      1.542460
  C      -5.346487     -3.917685      2.063673
  C      -4.335066     -4.237017      2.999114
  C      -3.433108     -3.275923      3.411511
  C      -3.503629     -1.955517      2.900438
  C      -3.520793      0.411442      7.089423
  C      -4.696652      0.921263      7.873149
  C      -6.016833      0.785183      7.622097
  C      -6.633003      0.014322      6.550099
  N      -5.867741     -0.832859      5.854042
  C      -6.451751     -1.543635      4.863575
  N      -7.724944     -1.550685      4.511723
  C      -8.539740     -0.704910      5.211226
  C      -9.915495     -0.654708      4.876740
  C     -10.761265      0.205441      5.543302
  C     -10.266211      1.049319      6.563580
  C      -8.930819      1.020109      6.910323
  C      -8.035960      0.137136      6.254782
  H      -3.975836      6.001011      6.767472
  H      -4.203734      4.921852      8.144213
  H      -4.505487      3.113087      6.001620
  H      -6.520054      5.422150      6.208926
  H      -6.451217      1.158598      2.926992
  H     -10.816934      2.582361      2.853719
  H     -12.144732      4.244659      4.168088
  H     -11.039276      5.603104      5.941290
  H      -8.626789      5.342995      6.392796
  H       0.935106      0.868409      3.900834
  H      -0.686312      1.392488      3.352768
  H      -0.087045     -0.602527      5.637696
  H      -1.795995     -1.958773      4.947974
  H      -3.846794      1.509193      1.409805
  H      -6.213294     -2.369060      0.826176
  H      -6.062068     -4.684081      1.761362
  H      -4.272862     -5.249145      3.402022
  H      -2.662507     -3.537416      4.136041
  H      -3.201730     -0.560086      7.518856
  H      -3.793940      0.198569      6.049421
  H      -4.422956      1.527132      8.743957
  H      -6.699251      1.311403      8.290294
  H      -5.774375     -2.192640      4.301197
  H     -10.266973     -1.301992      4.072365
  H     -11.818157      0.249810      5.274692
  H     -10.942426      1.741442      7.067494
  H      -8.567039      1.694200      7.685453
  N      -2.808334      2.791457      4.619568
90
Coordinates from ORCA-job orca E -6199.492768633208
  N      -2.514815      4.471558      6.975414
  Mo     -1.855466      2.818563      5.981742
  N      -2.405699      1.345620      7.154612
  C      -1.483765      1.158588      8.271151
  C      -0.848025      2.460593      8.782377
  N      -0.200942      3.246987      7.709791
  C      -0.236158      4.697327      7.923294
  C      -1.680058      5.206389      7.910519
  C       1.106690      2.711702      7.278661
  C       1.127653      2.633223      5.750908
  N      -0.124355      2.037427      5.296233
  H      -1.664147      6.285847      7.658537
  H      -2.110745      5.151604      8.935288
  H       0.323975      5.155095      7.093266
  H       0.265747      4.990336      8.866578
  H       1.998598      2.044284      5.414842
  H       1.264328      3.652069      5.335012
  H       1.206255      1.697469      7.690012
  H       1.937478      3.325049      7.671999
  H      -2.007907      0.707236      9.132707
  H      -0.686762      0.446417      7.967355
  H      -1.635777      3.085492      9.222738
  H      -0.123575      2.212881      9.581801
  C      -3.899514      4.939236      7.043402
  C      -4.879055      4.108571      6.271247
  C      -6.121756      4.466240      5.901286
  C      -6.938739      3.610837      5.036914
  N      -6.318514      2.635549      4.366499
  C      -7.033858      1.928699      3.465369
  N      -8.310550      2.079550      3.147641
  C      -8.989690      3.024716      3.861731
  C     -10.375267      3.202030      3.620269
  C     -11.097515      4.121032      4.352032
  C     -10.467246      4.900299      5.350676
  C      -9.115184      4.761948      5.593266
  C      -8.344554      3.831150      4.853272
  C      -0.093982      1.077595      4.190214
  C      -0.585083     -0.249244      4.705195
  C      -1.596237     -1.055060      4.310936
  C      -2.599725     -0.871066      3.263006
  N      -2.716228      0.320160      2.674489
  C      -3.740246      0.501673      1.812215
  N      -4.645426     -0.381379      1.427093
  C      -4.514633     -1.633971      1.957210
  C      -5.439137     -2.635794      1.569919
  C      -5.346268     -3.907408      2.094478
  C      -4.328191     -4.225116      3.023013
  C      -3.419167     -3.265344      3.422940
  C      -3.487744     -1.947342      2.905503
  C      -3.513628      0.409680      7.079970
  C      -4.683457      0.909174      7.880131
  C      -6.005829      0.772992      7.640365
  C      -6.626244      0.010436      6.565218
  N      -5.863991     -0.839183      5.868482
  C      -6.451193     -1.545818      4.876651
  N      -7.724419     -1.547802      4.525613
  C      -8.535706     -0.698962      5.225524
  C      -9.911587     -0.643975      4.892811
  C     -10.753256      0.220208      5.559395
  C     -10.253684      1.063984      6.577428
  C      -8.918071      1.029518      6.922967
  C      -8.027958      0.141400      6.268302
  H      -3.974384      6.001366      6.732711
  H      -4.206733      4.931026      8.115312
  H      -4.533943      3.117318      5.979652
  H      -6.528676      5.442311      6.177938
  H      -6.474455      1.158905      2.920924
  H     -10.841872      2.579319      2.855750
  H     -12.165884      4.246989      4.166504
  H     -11.054915      5.616173      5.927831
  H      -8.640046      5.361657      6.370461
  H       0.949434      0.930496      3.849627
  H      -0.693578      1.426595      3.340343
  H      -0.018166     -0.596618      5.577524
  H      -1.721682     -1.963887      4.901433
  H      -3.841001      1.513076      1.406689
  H      -6.220112     -2.359970      0.860483
  H      -6.066720     -4.672795      1.801580
  H      -4.265809     -5.235240      3.430795
  H      -2.644219     -3.528814      4.141918
  H      -3.198689     -0.575578      7.479933
  H      -3.795149      0.226181      6.036460
  H      -4.402414      1.508531      8.753092
  H      -6.684632      1.290325      8.319206
  H      -5.776970     -2.197061      4.313320
  H     -10.266519     -1.290509      4.089401
  H     -11.810209      0.268413      5.291941
  H     -10.926417      1.760110      7.080395
  H      -8.549786      1.703417      7.696185
  N      -2.825140      2.749134      4.621058
90
Coordinates from ORCA-job orca E -6199.495184007825
  N      -2.521541      4.464059      6.949504
  Mo     -1.857539      2.807524      5.970954
  N      -2.397227      1.338426      7.159117
  C      -1.489047      1.139858      8.280866
  C      -0.860101      2.439057      8.800281
  N      -0.213316      3.221862      7.728270
  C      -0.251951      4.672773      7.931612
  C      -1.694405      5.183351      7.904004
  C       1.092170      2.686405      7.296103
  C       1.129170      2.622047      5.767716
  N      -0.122536      2.049351      5.283013
  H      -1.671186      6.265669      7.664939
  H      -2.139089      5.119319      8.922014
  H       0.316259      5.126773      7.104888
  H       0.239797      4.973517      8.878104
  H       1.997019      2.023414      5.440713
  H       1.287053      3.641505      5.361622
  H       1.186491      1.668370      7.699257
  H       1.925496      3.290906      7.698548
  H      -2.021027      0.680751      9.133698
  H      -0.688538      0.429114      7.981841
  H      -1.652981      3.062271      9.234385
  H      -0.139966      2.196654      9.605591
  C      -3.904526      4.938993      7.015560
  C      -4.893568      4.114343      6.250186
  C      -6.132910      4.480547      5.876612
  C      -6.955054      3.622237      5.019160
  N      -6.339070      2.642555      4.351366
  C      -7.059173      1.930781      3.458152
  N      -8.337057      2.080905      3.145657
  C      -9.011799      3.031115      3.856983
  C     -10.398297      3.208320      3.620881
  C     -11.116248      4.132203      4.350567
  C     -10.480613      4.916863      5.341529
  C      -9.127617      4.778926      5.578474
  C      -8.361218      3.843100      4.840430
  C      -0.080966      1.109750      4.158558
  C      -0.533195     -0.236510      4.658061
  C      -1.540945     -1.051079      4.272768
  C      -2.567096     -0.866184      3.247707
  N      -2.689055      0.322061      2.654141
  C      -3.730468      0.505546      1.813874
  N      -4.644430     -0.376130      1.447311
  C      -4.507582     -1.627569      1.978855
  C      -5.438325     -2.628903      1.605792
  C      -5.341777     -3.898958      2.133405
  C      -4.314475     -4.214268      3.052375
  C      -3.398662     -3.254897      3.437596
  C      -3.468326     -1.939557      2.914030
  C      -3.509090      0.407906      7.069032
  C      -4.673641      0.896352      7.884043
  C      -5.997719      0.760050      7.653982
  C      -6.621568      0.005325      6.575548
  N      -5.862069     -0.846238      5.877933
  C      -6.452136     -1.548753      4.884756
  N      -7.725402     -1.546020      4.534482
  C      -8.533434     -0.694423      5.234882
  C      -9.909378     -0.634609      4.903744
  C     -10.746989      0.233492      5.570351
  C     -10.243039      1.077034      6.586321
  C      -8.907333      1.037270      6.930871
  C      -8.021907      0.144098      6.277043
  H      -3.972452      6.000313      6.700922
  H      -4.209714      4.937052      8.087873
  H      -4.561147      3.118698      5.958164
  H      -6.534236      5.460591      6.147022
  H      -6.502918      1.157119      2.916026
  H     -10.869048      2.581647      2.862238
  H     -12.185333      4.257964      4.169388
  H     -11.064990      5.636458      5.917295
  H      -8.648175      5.382889      6.349645
  H       0.959801      0.998633      3.797643
  H      -0.704759      1.459508      3.327351
  H       0.056220     -0.587063      5.514025
  H      -1.640431     -1.969650      4.852715
  H      -3.836964      1.516431      1.408600
  H      -6.227247     -2.353571      0.905109
  H      -6.066804     -4.664062      1.851539
  H      -4.249786     -5.222355      3.464697
  H      -2.617101     -3.518862      4.149053
  H      -3.197929     -0.589599      7.440342
  H      -3.798060      0.252164      6.022830
  H      -4.386376      1.489623      8.759138
  H      -6.673145      1.269492      8.342154
  H      -5.780860     -2.202050      4.320405
  H     -10.267654     -1.280220      4.101137
  H     -11.803949      0.285521      5.303901
  H     -10.912259      1.777133      7.088363
  H      -8.534799      1.710951      7.702273
  N      -2.845421      2.708432      4.626068
90
Coordinates from ORCA-job orca E -6199.497446240645
  N      -2.526308      4.456896      6.924597
  Mo     -1.862844      2.794507      5.964363
  N      -2.392640      1.332729      7.169312
  C      -1.497049      1.124059      8.297564
  C      -0.871440      2.421514      8.820906
  N      -0.225890      3.197491      7.745381
  C      -0.264588      4.649930      7.934823
  C      -1.705113      5.163752      7.894739
  C       1.076767      2.659267      7.311539
  C       1.127486      2.607958      5.782513
  N      -0.124994      2.059946      5.270947
  H      -1.675356      6.248077      7.665840
  H      -2.161688      5.092631      8.906711
  H       0.310086      5.096584      7.108501
  H       0.220369      4.960018      8.882026
  H       1.990352      1.998502      5.462420
  H       1.306725      3.627285      5.385754
  H       1.164669      1.637526      7.706671
  H       1.913376      3.254083      7.722307
  H      -2.037313      0.660793      9.143001
  H      -0.695001      0.412138      8.005312
  H      -1.667571      3.045321      9.248592
  H      -0.154527      2.185456      9.631148
  C      -3.907707      4.939457      6.987495
  C      -4.905215      4.118727      6.230124
  C      -6.140898      4.493200      5.851859
  C      -6.968357      3.631375      5.002544
  N      -6.356707      2.645739      4.339796
  C      -7.081054      1.927603      3.455438
  N      -8.359900      2.076967      3.146967
  C      -9.030362      3.034027      3.853172
  C     -10.417478      3.211421      3.621007
  C     -11.131225      4.142225      4.345912
  C     -10.490559      4.934034      5.327862
  C      -9.136897      4.796121      5.560587
  C      -8.374688      3.853257      4.827232
  C      -0.073003      1.139074      4.129824
  C      -0.487079     -0.225251      4.612759
  C      -1.491171     -1.047882      4.233999
  C      -2.537445     -0.860399      3.229951
  N      -2.663488      0.325943      2.633232
  C      -3.718735      0.512312      1.811352
  N      -4.638636     -0.368083      1.457453
  C      -4.496973     -1.619237      1.988385
  C      -5.430249     -2.620757      1.622468
  C      -5.331019     -3.890107      2.151233
  C      -4.299599     -4.203356      3.066129
  C      -3.380435     -3.243926      3.443300
  C      -3.449895     -1.930528      2.915091
  C      -3.509031      0.407953      7.068188
  C      -4.667736      0.889669      7.895582
  C      -5.993194      0.753438      7.674274
  C      -6.619203      0.002924      6.594431
  N      -5.861024     -0.850841      5.898143
  C      -6.452094     -1.551981      4.904766
  N      -7.725165     -1.546780      4.554121
  C      -8.531572     -0.692056      5.252744
  C      -9.907398     -0.629616      4.921927
  C     -10.742423      0.242731      5.586227
  C     -10.235871      1.088572      6.598941
  C      -8.900342      1.045724      6.943721
  C      -8.018085      0.147200      6.293160
  H      -3.968768      5.999263      6.666902
  H      -4.211466      4.945823      8.060010
  H      -4.587147      3.117147      5.940329
  H      -6.536150      5.478135      6.113251
  H      -6.527653      1.149084      2.917083
  H     -10.892030      2.579375      2.869277
  H     -12.200793      4.268094      4.167952
  H     -11.071634      5.659020      5.900116
  H      -8.653504      5.405711      6.324793
  H       0.964100      1.063512      3.750217
  H      -0.719833      1.487432      3.316578
  H       0.123924     -0.579580      5.451906
  H      -1.566704     -1.976433      4.801236
  H      -3.830717      1.523667      1.408924
  H      -6.223674     -2.345780      0.926827
  H      -6.057933     -4.655373      1.874945
  H      -4.233768     -5.210026      3.481616
  H      -2.595823     -3.507924      4.151244
  H      -3.202087     -0.599147      7.416245
  H      -3.804849      0.274693      6.020571
  H      -4.374438      1.479861      8.770770
  H      -6.665578      1.258065      8.368961
  H      -5.782258     -2.206943      4.340909
  H     -10.267675     -1.276224      4.121069
  H     -11.799237      0.296850      5.319812
  H     -10.902757      1.792850      7.098174
  H      -8.525058      1.721099      7.712315
  N      -2.870774      2.664231      4.637585
90
Coordinates from ORCA-job orca E -6199.499588920387
  N      -2.531477      4.447100      6.903756
  Mo     -1.869885      2.781015      5.958301
  N      -2.390314      1.323510      7.174127
  C      -1.505990      1.103797      8.309191
  C      -0.882544      2.399486      8.837701
  N      -0.239208      3.171631      7.759375
  C      -0.277527      4.625354      7.938316
  C      -1.716381      5.141755      7.889296
  C       1.061235      2.632675      7.322054
  C       1.124438      2.600050      5.792252
  N      -0.128039      2.076422      5.254526
  H      -1.682235      6.228301      7.672257
  H      -2.183268      5.060705      8.895543
  H       0.301719      5.066200      7.112029
  H       0.202860      4.942573      8.885638
  H       1.982515      1.982407      5.475206
  H       1.322363      3.620690      5.408521
  H       1.143166      1.605852      7.705074
  H       1.900354      3.217031      7.743368
  H      -2.054654      0.636274      9.146813
  H      -0.703294      0.390476      8.022672
  H      -1.681217      3.023052      9.261290
  H      -0.167835      2.167793      9.651206
  C      -3.912098      4.935066      6.963510
  C      -4.915498      4.118087      6.211003
  C      -6.147822      4.500963      5.828881
  C      -6.982886      3.639531      4.986051
  N      -6.378782      2.649010      4.323956
  C      -7.110376      1.929683      3.446657
  N      -8.390302      2.082259      3.144487
  C      -9.053207      3.045001      3.850000
  C     -10.440907      3.226418      3.624628
  C     -11.147379      4.162916      4.349298
  C     -10.498462      4.956737      5.324169
  C      -9.144041      4.814967      5.550066
  C      -8.389232      3.866121      4.816848
  C      -0.064460      1.175983      4.096220
  C      -0.432187     -0.206724      4.563250
  C      -1.429992     -1.041306      4.193583
  C      -2.499766     -0.854637      3.214404
  N      -2.635058      0.328571      2.613367
  C      -3.708985      0.515003      1.816147
  N      -4.637076     -0.365247      1.484317
  C      -4.486774     -1.614518      2.017365
  C      -5.426832     -2.616719      1.671483
  C      -5.320511     -3.883637      2.204718
  C      -4.275671     -4.193054      3.105478
  C      -3.349123     -3.232977      3.462432
  C      -3.423793     -1.922891      2.926849
  C      -3.510281      0.402995      7.061106
  C      -4.664571      0.874268      7.900395
  C      -5.990917      0.737680      7.685020
  C      -6.618261     -0.004701      6.600270
  N      -5.862149     -0.858635      5.901984
  C      -6.454484     -1.553685      4.905122
  N      -7.727435     -1.543460      4.553868
  C      -8.531504     -0.687796      5.254153
  C      -9.906945     -0.619376      4.922955
  C     -10.738508      0.255799      5.587877
  C     -10.228802      1.099100      6.601166
  C      -8.893773      1.049837      6.946954
  C      -8.015507      0.147374      6.296478
  H      -3.967836      5.993965      6.639504
  H      -4.215540      4.946649      8.035930
  H      -4.611192      3.111056      5.922142
  H      -6.536461      5.490272      6.083837
  H      -6.562920      1.146646      2.908962
  H     -10.921696      2.592858      2.878166
  H     -12.217416      4.291958      4.176624
  H     -11.073736      5.686313      5.896422
  H      -8.654248      5.426234      6.308842
  H       0.967111      1.140950      3.696572
  H      -0.737283      1.518065      3.302355
  H       0.204111     -0.562049      5.382977
  H      -1.477996     -1.979094      4.748254
  H      -3.828361      1.525382      1.413398
  H      -6.231322     -2.343998      0.987778
  H      -6.052350     -4.649509      1.943581
  H      -4.204983     -5.197213      3.526176
  H      -2.554239     -3.494760      4.159646
  H      -3.206271     -0.612788      7.385557
  H      -3.811175      0.293135      6.011989
  H      -4.367387      1.459334      8.777705
  H      -6.661307      1.235816      8.386299
  H      -5.786423     -2.208971      4.339302
  H     -10.269640     -1.263119      4.120903
  H     -11.794928      0.314659      5.320961
  H     -10.892669      1.806548      7.099940
  H      -8.515319      1.723337      7.715670
  N      -2.897644      2.622006      4.651459
90
Coordinates from ORCA-job orca E -6199.501624320944
  N      -2.535614      4.438341      6.883466
  Mo     -1.881576      2.762440      5.959617
  N      -2.392684      1.315959      7.193335
  C      -1.517651      1.090791      8.335740
  C      -0.892123      2.386707      8.859764
  N      -0.252368      3.148193      7.772753
  C      -0.286827      4.604139      7.934363
  C      -1.723193      5.125664      7.877876
  C       1.043982      2.603867      7.331818
  C       1.116445      2.584955      5.801488
  N      -0.137471      2.086637      5.242552
  H      -1.683862      6.212938      7.666218
  H      -2.197656      5.040697      8.879971
  H       0.295099      5.033650      7.103981
  H       0.192932      4.931896      8.878490
  H       1.967805      1.957195      5.486509
  H       1.333192      3.605393      5.427993
  H       1.118070      1.573166      7.705788
  H       1.887327      3.177454      7.760139
  H      -2.074733      0.626453      9.169397
  H      -0.717199      0.372024      8.057610
  H      -1.690762      3.014072      9.277990
  H      -0.177558      2.162125      9.675359
  C      -3.914851      4.933437      6.938955
  C      -4.924452      4.117501      6.194663
  C      -6.152601      4.508930      5.807095
  C      -6.994865      3.646172      4.972622
  N      -6.397177      2.648294      4.316082
  C      -7.134244      1.924629      3.447058
  N      -8.414679      2.079783      3.148161
  C      -9.071285      3.050818      3.848412
  C     -10.459037      3.235971      3.626360
  C     -11.159379      4.181135      4.345755
  C     -10.503937      4.980374      5.311798
  C      -9.149283      4.835052      5.534189
  C      -8.400780      3.877329      4.806171
  C      -0.064889      1.206425      4.068035
  C      -0.391380     -0.192500      4.516359
  C      -1.383337     -1.036730      4.150970
  C      -2.471632     -0.849697      3.191640
  N      -2.614244      0.331830      2.588681
  C      -3.698702      0.517143      1.805395
  N      -4.626448     -0.365775      1.480716
  C      -4.468277     -1.614416      2.012684
  C      -5.403605     -2.621362      1.667738
  C      -5.291313     -3.887338      2.201927
  C      -4.246581     -4.190230      3.104944
  C      -3.323376     -3.225955      3.459438
  C      -3.400909     -1.917966      2.918866
  C      -3.517624      0.400503      7.078455
  C      -4.665980      0.871754      7.925561
  C      -5.993098      0.736030      7.715105
  C      -6.620107     -0.004493      6.628935
  N      -5.863704     -0.860288      5.933696
  C      -6.453861     -1.553940      4.934931
  N      -7.725819     -1.541443      4.579802
  C      -8.530218     -0.683062      5.276589
  C      -9.904624     -0.611777      4.941603
  C     -10.735353      0.267776      5.601796
  C     -10.225891      1.113227      6.613483
  C      -8.892113      1.060637      6.963611
  C      -8.015230      0.152678      6.318946
  H      -3.964422      5.989878      6.606656
  H      -4.217621      4.955376      8.011225
  H      -4.635135      3.103230      5.911855
  H      -6.533361      5.504158      6.051234
  H      -6.591107      1.135742      2.913091
  H     -10.944754      2.598287      2.886609
  H     -12.229484      4.313069      4.175702
  H     -11.074296      5.716888      5.880074
  H      -8.654428      5.450639      6.286199
  H       0.960054      1.209112      3.650619
  H      -0.761500      1.542381      3.292994
  H       0.266642     -0.550922      5.317356
  H      -1.406803     -1.984597      4.689662
  H      -3.826323      1.527999      1.406517
  H      -6.210080     -2.352728      0.984751
  H      -6.019750     -4.656743      1.941659
  H      -4.172764     -5.192838      3.528789
  H      -2.528306     -3.483232      4.158016
  H      -3.217955     -0.620504      7.390249
  H      -3.823773      0.303949      6.029500
  H      -4.364329      1.457499      8.800896
  H      -6.662097      1.233195      8.418413
  H      -5.785005     -2.209339      4.370432
  H     -10.267088     -1.256261      4.140042
  H     -11.790824      0.329006      5.331679
  H     -10.888841      1.824936      7.107444
  H      -8.513151      1.735692      7.730738
  N      -2.930876      2.572753      4.674136
90
Coordinates from ORCA-job orca E -6199.503540616583
  N      -2.541540      4.424981      6.867415
  Mo     -1.892465      2.742853      5.958631
  N      -2.395327      1.301010      7.201447
  C      -1.528865      1.069011      8.350425
  C      -0.902454      2.364462      8.874062
  N      -0.266541      3.121481      7.782694
  C      -0.299014      4.578574      7.934327
  C      -1.733568      5.103057      7.872908
  C       1.027112      2.576212      7.336982
  C       1.109601      2.579633      5.806397
  N      -0.143580      2.105154      5.224846
  H      -1.691154      6.191832      7.670565
  H      -2.215250      5.009361      8.870599
  H       0.284303      5.001516      7.101546
  H       0.180434      4.912651      8.876438
  H       1.956278      1.946323      5.490061
  H       1.341568      3.602362      5.448851
  H       1.094199      1.539813      7.696134
  H       1.873110      3.138108      7.776120
  H      -2.094292      0.606272      9.179150
  H      -0.730703      0.345884      8.078113
  H      -1.701572      2.992848      9.290000
  H      -0.187522      2.143498      9.690326
  C      -3.919888      4.924897      6.918497
  C      -4.932722      4.111815      6.176407
  C      -6.156737      4.512732      5.784642
  C      -7.008394      3.653457      4.955844
  N      -6.420273      2.650271      4.298974
  C      -7.166189      1.928518      3.435805
  N      -8.447291      2.090301      3.143261
  C      -9.094248      3.067070      3.844402
  C     -10.482258      3.259212      3.629881
  C     -11.173386      4.210051      4.350774
  C     -10.507999      5.008331      5.310837
  C      -9.152820      4.856195      5.525773
  C      -8.413804      3.892420      4.796137
  C      -0.059685      1.249226      4.032315
  C      -0.334913     -0.166567      4.460547
  C      -1.318162     -1.024947      4.103763
  C      -2.431225     -0.842193      3.172066
  N      -2.588027      0.335416      2.564872
  C      -3.691132      0.516715      1.806904
  N      -4.624426     -0.368815      1.506823
  C      -4.454199     -1.614065      2.042988
  C      -5.395459     -2.623725      1.723141
  C      -5.273108     -3.885544      2.264872
  C      -4.212434     -4.181200      3.151510
  C      -3.282383     -3.214526      3.480604
  C      -3.368694     -1.911124      2.929816
  C      -3.523630      0.388900      7.080609
  C      -4.667888      0.852165      7.937105
  C      -5.995439      0.716603      7.728888
  C      -6.622383     -0.014331      6.635857
  N      -5.867817     -0.869289      5.937795
  C      -6.457637     -1.553864      4.932618
  N      -7.728902     -1.534606      4.574713
  C      -8.531566     -0.676783      5.274306
  C      -9.904900     -0.597693      4.936416
  C     -10.732821      0.283621      5.597792
  C     -10.221586      1.123556      6.613260
  C      -8.889080      1.062695      6.966944
  C      -8.015478      0.151870      6.321770
  H      -3.964280      5.980267      6.582569
  H      -4.223944      4.951840      7.990155
  H      -4.655609      3.092134      5.896929
  H      -6.529101      5.512711      6.022887
  H      -6.630816      1.134646      2.901657
  H     -10.975563      2.622232      2.894526
  H     -12.243712      4.347448      4.186469
  H     -11.070983      5.749545      5.880375
  H      -8.650278      5.471148      6.273235
  H       0.956063      1.296262      3.595908
  H      -0.783110      1.574327      3.278074
  H       0.349654     -0.524475      5.239072
  H      -1.311375     -1.981732      4.626794
  H      -3.828444      1.525475      1.405899
  H      -6.214948     -2.360279      1.053729
  H      -6.005918     -4.657039      2.023649
  H      -4.131557     -5.180096      3.582786
  H      -2.475266     -3.466405      4.167401
  H      -3.226148     -0.637744      7.375285
  H      -3.833921      0.310790      6.031362
  H      -4.364111      1.433138      8.814862
  H      -6.664027      1.207929      8.436680
  H      -5.789598     -2.207943      4.365265
  H     -10.268618     -1.236909      4.131213
  H     -11.787278      0.351149      5.325182
  H     -10.882057      1.837630      7.107194
  H      -8.508073      1.733540      7.736775
  N      -2.959448      2.528588      4.692477
90
Coordinates from ORCA-job orca E -6199.505325132352
  N      -2.547402      4.411994      6.851370
  Mo     -1.905966      2.718082      5.963425
  N      -2.400805      1.285856      7.220692
  C      -1.541294      1.053464      8.375973
  C      -0.911806      2.350148      8.891297
  N      -0.280626      3.097406      7.791849
  C      -0.309192      4.555956      7.928571
  C      -1.741543      5.084492      7.863027
  C       1.008867      2.547627      7.342014
  C       1.099614      2.569505      5.811739
  N      -0.153479      2.118770      5.211383
  H      -1.695254      6.173753      7.664918
  H      -2.228407      4.987123      8.857723
  H       0.273902      4.968691      7.090545
  H       0.172561      4.898926      8.866307
  H       1.940718      1.929488      5.494048
  H       1.346992      3.593285      5.467829
  H       1.066958      1.506477      7.688683
  H       1.858886      3.097231      7.789525
  H      -2.114464      0.598553      9.203523
  H      -0.747249      0.323501      8.111334
  H      -1.709818      2.982124      9.304026
  H      -0.194791      2.135021      9.707343
  C      -3.923667      4.919023      6.896712
  C      -4.940553      4.107792      6.158969
  C      -6.159502      4.519012      5.761892
  C      -7.021274      3.661799      4.941193
  N      -6.442998      2.651261      4.286913
  C      -7.197975      1.929551      3.431466
  N      -8.479506      2.098010      3.144601
  C      -9.116517      3.082403      3.844136
  C     -10.504615      3.281659      3.636490
  C     -11.186115      4.240217      4.356363
  C     -10.510568      5.039654      5.308386
  C      -9.155029      4.880723      5.516335
  C      -8.425922      3.908791      4.787623
  C      -0.061027      1.287358      4.001886
  C      -0.289911     -0.143000      4.408028
  C      -1.264296     -1.014129      4.056521
  C      -2.398625     -0.836150      3.149261
  N      -2.569700      0.338532      2.540088
  C      -3.685237      0.513455      1.798835
  N      -4.616526     -0.378119      1.511741
  C      -4.433414     -1.620600      2.050014
  C      -5.370474     -2.637247      1.739983
  C      -5.237265     -3.896074      2.285984
  C      -4.170405     -4.181197      3.168592
  C      -3.242944     -3.208278      3.486398
  C      -3.338090     -1.908417      2.928051
  C      -3.533000      0.377217      7.100998
  C      -4.673360      0.840175      7.962325
  C      -6.001138      0.705798      7.754226
  C      -6.626815     -0.020139      6.656781
  N      -5.873002     -0.876621      5.960069
  C      -6.460406     -1.555061      4.949412
  N      -7.730120     -1.529866      4.586097
  C      -8.532303     -0.670417      5.284383
  C      -9.903905     -0.584775      4.940894
  C     -10.730294      0.300374      5.599053
  C     -10.219174      1.138205      6.616392
  C      -8.888649      1.070269      6.976270
  C      -8.017170      0.154410      6.335377
  H      -3.961252      5.972167      6.553387
  H      -4.228939      4.955046      7.967613
  H      -4.675123      3.082032      5.887570
  H      -6.521606      5.524960      5.991273
  H      -6.670423      1.129251      2.899183
  H     -11.005766      2.643788      2.907205
  H     -12.256553      4.383032      4.197418
  H     -11.065912      5.787151      5.877231
  H      -8.644602      5.496675      6.257660
  H       0.944486      1.375678      3.548786
  H      -0.808438      1.602337      3.267413
  H       0.418193     -0.501111      5.165164
  H      -1.228013     -1.980333      4.560689
  H      -3.833202      1.520672      1.397646
  H      -6.196299     -2.381273      1.075443
  H      -5.966971     -4.672869      2.052385
  H      -4.082171     -5.177233      3.605031
  H      -2.430814     -3.452957      4.169923
  H      -3.238417     -0.652501      7.387627
  H      -3.846886      0.309422      6.052284
  H      -4.368156      1.420609      8.839913
  H      -6.670299      1.195492      8.462661
  H      -5.791932     -2.208597      4.381844
  H     -10.267290     -1.221362      4.133458
  H     -11.783190      0.373274      5.321815
  H     -10.878138      1.856182      7.106733
  H      -8.507044      1.739291      7.747439
  N      -2.988846      2.479942      4.715301
90
Coordinates from ORCA-job orca E -6199.505553358059
  N      -2.551548      4.395942      6.817800
  Mo     -1.912295      2.680377      5.967373
  N      -2.405618      1.266808      7.239265
  C      -1.560506      1.032968      8.406766
  C      -0.929104      2.328828      8.915230
  N      -0.295591      3.061511      7.810087
  C      -0.322158      4.521815      7.926043
  C      -1.753103      5.060695      7.838386
  C       0.995979      2.512819      7.363641
  C       1.102223      2.562628      5.832617
  N      -0.144336      2.131280      5.209130
  H      -1.697376      6.146491      7.638651
  H      -2.255696      4.967179      8.825151
  H       0.269371      4.919377      7.084517
  H       0.154449      4.876926      8.864315
  H       1.942488      1.921367      5.513173
  H       1.360070      3.588964      5.507881
  H       1.048582      1.465893      7.694599
  H       1.845647      3.051867      7.825942
  H      -2.147097      0.588917      9.230197
  H      -0.769342      0.293665      8.157389
  H      -1.729619      2.966823      9.318473
  H      -0.214773      2.119364      9.737711
  C      -3.925490      4.919777      6.841645
  C      -4.940164      4.104551      6.107613
  C      -6.149546      4.528682      5.694842
  C      -7.025635      3.655896      4.897259
  N      -6.464480      2.605849      4.265523
  C      -7.235024      1.860805      3.437076
  N      -8.515155      2.041074      3.154909
  C      -9.135034      3.065226      3.832903
  C     -10.522261      3.273542      3.633520
  C     -11.188145      4.266292      4.336102
  C     -10.496839      5.092117      5.262076
  C      -9.141757      4.925089      5.461296
  C      -8.428369      3.917974      4.749446
  C      -0.031884      1.331286      3.981187
  C      -0.213412     -0.115200      4.346220
  C      -1.178359     -0.989280      3.986872
  C      -2.322903     -0.795520      3.106425
  N      -2.473665      0.377208      2.497441
  C      -3.594313      0.571476      1.780506
  N      -4.554631     -0.297547      1.517316
  C      -4.398036     -1.537314      2.057772
  C      -5.368083     -2.530761      1.772651
  C      -5.259896     -3.787490      2.320636
  C      -4.186229     -4.093224      3.181965
  C      -3.227320     -3.143060      3.475592
  C      -3.295410     -1.846234      2.912553
  C      -3.542380      0.363759      7.113662
  C      -4.678898      0.821438      7.976139
  C      -6.009719      0.674414      7.776810
  C      -6.648466     -0.075454      6.693450
  N      -5.909906     -0.971176      6.004134
  C      -6.512687     -1.675784      5.006497
  N      -7.783725     -1.638032      4.651941
  C      -8.569964     -0.737968      5.343003
  C      -9.941559     -0.634868      5.004482
  C     -10.751809      0.289988      5.653832
  C     -10.223724      1.150081      6.657852
  C      -8.892877      1.067343      7.012259
  C      -8.037871      0.113032      6.379018
  H      -3.949653      5.971968      6.480355
  H      -4.243598      4.974551      7.912571
  H      -4.687852      3.066919      5.858500
  H      -6.498856      5.551159      5.901057
  H      -6.723686      1.022688      2.926357
  H     -11.035520      2.613321      2.925870
  H     -12.257853      4.415469      4.184032
  H     -11.039698      5.865807      5.818070
  H      -8.619840      5.560983      6.183331
  H       0.959757      1.470322      3.519923
  H      -0.796270      1.636226      3.267996
  H       0.510568     -0.477568      5.079132
  H      -1.126290     -1.963875      4.461268
  H      -3.712284      1.573029      1.373783
  H      -6.198093     -2.259340      1.125228
  H      -6.014194     -4.546396      2.105560
  H      -4.117681     -5.087222      3.621371
  H      -2.410358     -3.405233      4.142944
  H      -3.251235     -0.664072      7.388897
  H      -3.858932      0.308047      6.069710
  H      -4.369770      1.411942      8.847530
  H      -6.673724      1.171065      8.482655
  H      -5.859481     -2.368974      4.444225
  H     -10.317619     -1.289599      4.207145
  H     -11.804211      0.376717      5.379686
  H     -10.869240      1.897401      7.141645
  H      -8.497936      1.754570      7.772836
  N      -2.990165      2.381442      4.715539
90
Coordinates from ORCA-job orca E -6199.507843519295
  N      -2.570985      4.356374      6.796907
  Mo     -1.931262      2.628560      5.969538
  N      -2.413291      1.210074      7.241274
  C      -1.567405      0.977891      8.407730
  C      -0.938778      2.279678      8.918191
  N      -0.312592      3.019299      7.811661
  C      -0.347264      4.480111      7.927412
  C      -1.779338      5.017847      7.829187
  C       0.987681      2.502307      7.355979
  C       1.095009      2.599257      5.826121
  N      -0.136445      2.163371      5.191847
  H      -1.719275      6.102603      7.632675
  H      -2.292615      4.921469      8.811148
  H       0.243525      4.877087      7.084220
  H       0.129453      4.840877      8.865141
  H       1.939677      1.979584      5.490249
  H       1.339283      3.631252      5.533395
  H       1.056548      1.450459      7.658188
  H       1.827733      3.045847      7.833716
  H      -2.152834      0.532403      9.230676
  H      -0.777062      0.240714      8.154967
  H      -1.742623      2.911088      9.325789
  H      -0.220501      2.076002      9.739710
  C      -3.943194      4.891406      6.797709
  C      -4.946760      4.082234      6.054161
  C      -6.143155      4.529818      5.623285
  C      -7.033911      3.662073      4.849744
  N      -6.494412      2.599127      4.250040
  C      -7.282656      1.855170      3.451425
  N      -8.559624      2.052937      3.170159
  C      -9.157221      3.092031      3.815703
  C     -10.540301      3.312412      3.618345
  C     -11.185587      4.315736      4.290748
  C     -10.475973      5.141211      5.182884
  C      -9.123998      4.961383      5.380161
  C      -8.431411      3.941967      4.699525
  C       0.011563      1.398677      3.946326
  C      -0.097384     -0.067735      4.287074
  C      -1.049140     -0.960902      3.934631
  C      -2.227134     -0.760969      3.084848
  N      -2.393847      0.416169      2.471470
  C      -3.548504      0.625492      1.787119
  N      -4.539601     -0.229292      1.566127
  C      -4.373032     -1.473087      2.111218
  C      -5.374170     -2.453471      1.865478
  C      -5.256378     -3.713780      2.417183
  C      -4.142381     -4.036569      3.244675
  C      -3.152200     -3.100462      3.500254
  C      -3.226744     -1.800538      2.930106
  C      -3.548590      0.300708      7.107759
  C      -4.682744      0.745007      7.991875
  C      -6.020176      0.599038      7.807766
  C      -6.683526     -0.141788      6.734384
  N      -5.975279     -1.041545      6.049254
  C      -6.609077     -1.727516      5.063013
  N      -7.880704     -1.660697      4.707984
  C      -8.634434     -0.756324      5.392076
  C     -10.003459     -0.617151      5.047198
  C     -10.782616      0.312072      5.689147
  C     -10.224261      1.140769      6.691341
  C      -8.894187      1.026629      7.049404
  C      -8.070522      0.069187      6.422995
  H      -3.954893      5.940517      6.429303
  H      -4.278534      4.954702      7.861839
  H      -4.705168      3.040728      5.826663
  H      -6.477348      5.559667      5.807861
  H      -6.791544      0.998676      2.968744
  H     -11.067245      2.650495      2.938275
  H     -12.252705      4.474633      4.140754
  H     -11.002176      5.924631      5.715564
  H      -8.589225      5.597317      6.077303
  H       0.991705      1.600545      3.466697
  H      -0.781687      1.685601      3.255708
  H       0.658386     -0.421404      4.996145
  H      -0.963656     -1.945238      4.391041
  H      -3.660935      1.625042      1.366269
  H      -6.235722     -2.170051      1.244116
  H      -6.034412     -4.462113      2.231614
  H      -4.068093     -5.032688      3.688075
  H      -2.305917     -3.377423      4.141496
  H      -3.251266     -0.737755      7.364195
  H      -3.873078      0.266162      6.059803
  H      -4.365848      1.326574      8.863692
  H      -6.675783      1.094192      8.522855
  H      -5.988456     -2.437445      4.511703
  H     -10.401520     -1.248438      4.250576
  H     -11.832703      0.427496      5.409092
  H     -10.844237      1.889768      7.169191
  H      -8.474990      1.691913      7.806119
  N      -2.991547      2.282159      4.720971
90
Coordinates from ORCA-job orca E -6199.504673152205
  N      -2.591027      4.329855      6.818402
  Mo     -1.960571      2.612726      5.975238
  N      -2.429329      1.171826      7.236792
  C      -1.575221      0.923653      8.390533
  C      -0.943537      2.221756      8.909504
  N      -0.333949      2.980450      7.809061
  C      -0.371095      4.440240      7.942725
  C      -1.797101      4.974823      7.864018
  C       0.957682      2.471620      7.336542
  C       1.060799      2.606027      5.814293
  N      -0.177454      2.193912      5.165409
  H      -1.735353      6.069548      7.689149
  H      -2.304422      4.858232      8.845448
  H       0.209074      4.850783      7.103904
  H       0.111040      4.789743      8.875430
  H       1.900984      1.988003      5.465790
  H       1.317363      3.648828      5.548456
  H       1.020479      1.411759      7.611791
  H       1.801602      3.000812      7.823658
  H      -2.153733      0.467493      9.210592
  H      -0.791184      0.190683      8.120907
  H      -1.737853      2.845001      9.332682
  H      -0.218875      2.010746      9.714362
  C      -3.958021      4.868446      6.821464
  C      -4.971523      4.080218      6.062117
  C      -6.162959      4.536015      5.627459
  C      -7.058284      3.676670      4.844312
  N      -6.523051      2.606017      4.240636
  C      -7.313407      1.854560      3.435696
  N      -8.589354      2.052993      3.147649
  C      -9.183052      3.109217      3.794209
  C     -10.565240      3.349102      3.588971
  C     -11.203774      4.393801      4.257791
  C     -10.488990      5.237422      5.155021
  C      -9.138848      5.031267      5.362659
  C      -8.453280      3.972371      4.685441
  C      -0.042402      1.457212      3.891913
  C      -0.116365     -0.005140      4.221370
  C      -1.054181     -0.920959      3.884190
  C      -2.249241     -0.755024      3.058945
  N      -2.472992      0.409220      2.433469
  C      -3.625784      0.572509      1.764336
  N      -4.563495     -0.324782      1.566310
  C      -4.330277     -1.561433      2.121839
  C      -5.252581     -2.595107      1.888524
  C      -5.061552     -3.849292      2.448038
  C      -3.956909     -4.109707      3.277122
  C      -3.040612     -3.123014      3.518533
  C      -3.185952     -1.831698      2.933177
  C      -3.566669      0.266029      7.107616
  C      -4.684719      0.698921      8.024945
  C      -6.018329      0.573478      7.848401
  C      -6.677215     -0.118358      6.762476
  N      -5.960857     -0.983588      6.070231
  C      -6.586864     -1.622487      5.078441
  N      -7.863006     -1.542097      4.723118
  C      -8.626409     -0.667796      5.414751
  C      -9.998971     -0.512608      5.071309
  C     -10.784312      0.399544      5.718934
  C     -10.230744      1.192960      6.725739
  C      -8.897637      1.055556      7.084922
  C      -8.067549      0.112502      6.452566
  H      -3.959977      5.916537      6.471609
  H      -4.292174      4.918548      7.877922
  H      -4.736960      3.043457      5.824961
  H      -6.490021      5.556344      5.819319
  H      -6.823328      0.998593      2.950049
  H     -11.096736      2.677682      2.902719
  H     -12.269917      4.573179      4.099435
  H     -11.009599      6.057795      5.682050
  H      -8.598614      5.684020      6.062105
  H       0.920172      1.680392      3.398926
  H      -0.858608      1.736607      3.214777
  H       0.667100     -0.351760      4.910090
  H      -0.925758     -1.915436      4.331545
  H      -3.792202      1.574359      1.336252
  H      -6.107235     -2.358935      1.265952
  H      -5.776765     -4.638305      2.268901
  H      -3.826962     -5.098853      3.730808
  H      -2.195064     -3.353092      4.159381
  H      -3.264036     -0.784090      7.336459
  H      -3.911619      0.261906      6.059025
  H      -4.357802      1.253635      8.905983
  H      -6.672644      1.048589      8.580157
  H      -5.958921     -2.293111      4.517152
  H     -10.393473     -1.113937      4.269938
  H     -11.836805      0.528478      5.439242
  H     -10.856807      1.936551      7.206470
  H      -8.481572      1.691468      7.845547
  N      -3.025275      2.299759      4.759878
90
Coordinates from ORCA-job orca E -6199.506326995387
  N      -2.582845      4.330445      6.829215
  Mo     -1.959394      2.614244      5.987123
  N      -2.430286      1.175865      7.257743
  C      -1.581236      0.924848      8.416163
  C      -0.941771      2.216450      8.927278
  N      -0.333459      2.969086      7.823923
  C      -0.367290      4.429541      7.956512
  C      -1.789543      4.965652      7.881663
  C       0.952132      2.446567      7.351276
  C       1.061362      2.597276      5.831364
  N      -0.186009      2.209971      5.163842
  H      -1.725372      6.064910      7.716505
  H      -2.296664      4.841124      8.862069
  H       0.213161      4.840721      7.119600
  H       0.114611      4.776431      8.887874
  H       1.898868      1.969688      5.481320
  H       1.338199      3.647316      5.577722
  H       0.997958      1.379472      7.616929
  H       1.802624      2.957601      7.846354
  H      -2.165859      0.477470      9.237612
  H      -0.801300      0.184195      8.153858
  H      -1.730459      2.847264      9.348775
  H      -0.217162      2.002051      9.730381
  C      -3.944475      4.870854      6.837441
  C      -4.967338      4.091052      6.073692
  C      -6.157681      4.541615      5.639576
  C      -7.040475      3.681875      4.850037
  N      -6.484555      2.659648      4.240849
  C      -7.255677      1.917334      3.424300
  N      -8.534800      2.088908      3.130789
  C      -9.150126      3.096508      3.784465
  C     -10.535652      3.309657      3.571826
  C     -11.194511      4.302738      4.248093
  C     -10.497950      5.124756      5.158582
  C      -9.145005      4.949467      5.371447
  C      -8.439161      3.941904      4.687690
  C      -0.056764      1.490393      3.871299
  C      -0.127297      0.020108      4.166934
  C      -1.058154     -0.898842      3.818467
  C      -2.253967     -0.747291      3.000518
  N      -2.470180      0.393386      2.360747
  C      -3.628550      0.538163      1.701230
  N      -4.576643     -0.358441      1.524877
  C      -4.348230     -1.574430      2.095148
  C      -5.283138     -2.609092      1.885786
  C      -5.099661     -3.844102      2.460259
  C      -3.990093     -4.083292      3.282594
  C      -3.061529     -3.093866      3.500336
  C      -3.200235     -1.822511      2.898212
  C      -3.576782      0.281843      7.139588
  C      -4.689646      0.736837      8.039237
  C      -6.017027      0.624137      7.853716
  C      -6.677872     -0.085148      6.768767
  N      -5.957705     -1.000717      6.086525
  C      -6.577449     -1.685814      5.097236
  N      -7.850739     -1.606711      4.743749
  C      -8.618842     -0.677953      5.425354
  C      -9.987027     -0.532841      5.082420
  C     -10.778271      0.429803      5.716438
  C     -10.233321      1.280762      6.711782
  C      -8.905829      1.148447      7.074713
  C      -8.067668      0.156023      6.454267
  H      -3.942224      5.918353      6.496261
  H      -4.273371      4.914335      7.892327
  H      -4.737281      3.054523      5.831086
  H      -6.489848      5.552403      5.835196
  H      -6.744675      1.109264      2.932115
  H     -11.052786      2.656969      2.874506
  H     -12.263686      4.458734      4.085511
  H     -11.034943      5.902303      5.692213
  H      -8.618784      5.584956      6.080846
  H       0.901036      1.723864      3.384347
  H      -0.870898      1.780263      3.196727
  H       0.658266     -0.337696      4.847773
  H      -0.921546     -1.896180      4.254538
  H      -3.798090      1.526884      1.263687
  H      -6.142662     -2.387392      1.269077
  H      -5.826917     -4.634269      2.300584
  H      -3.866078     -5.056954      3.750792
  H      -2.213877     -3.306952      4.137522
  H      -3.286729     -0.758212      7.377538
  H      -3.922909      0.270578      6.098967
  H      -4.361037      1.306869      8.916397
  H      -6.665884      1.117713      8.579457
  H      -5.945416     -2.396868      4.539577
  H     -10.376074     -1.180967      4.290837
  H     -11.826871      0.550262      5.436729
  H     -10.865147      2.062782      7.182908
  H      -8.501544      1.822340      7.832374
  N      -3.038952      2.290580      4.781996
90
Coordinates from ORCA-job orca E -6199.506032793845
  N      -2.580685      4.333510      6.791454
  Mo     -1.952416      2.591937      5.993694
  N      -2.418217      1.189927      7.287549
  C      -1.578437      0.965654      8.462014
  C      -0.945182      2.264299      8.949412
  N      -0.330588      2.987467      7.830792
  C      -0.367748      4.449922      7.929491
  C      -1.795761      4.986480      7.829676
  C       0.961580      2.456182      7.372876
  C       1.076101      2.582629      5.847098
  N      -0.165987      2.184304      5.184594
  H      -1.734612      6.074027      7.640819
  H      -2.312979      4.884184      8.808376
  H       0.220472      4.840617      7.083889
  H       0.109370      4.820338      8.861308
  H       1.918196      1.949332      5.506959
  H       1.347926      3.624329      5.574317
  H       1.010320      1.393143      7.657150
  H       1.809382      2.974798      7.861894
  H      -2.170616      0.536183      9.290531
  H      -0.790129      0.218274      8.223490
  H      -1.743978      2.906639      9.354123
  H      -0.222499      2.065648      9.768271
  C      -3.939694      4.885376      6.788010
  C      -4.958136      4.079452      6.047148
  C      -6.146653      4.529334      5.605163
  C      -7.047860      3.648473      4.843864
  N      -6.514312      2.556344      4.259457
  C      -7.309883      1.795653      3.474824
  N      -8.588063      2.001281      3.189445
  C      -9.179857      3.072806      3.818271
  C     -10.564888      3.313068      3.614233
  C     -11.203867      4.352888      4.268629
  C     -10.486611      5.198560      5.147707
  C      -9.133137      5.002246      5.350264
  C      -8.446544      3.943820      4.688342
  C      -0.010048      1.453489      3.915999
  C      -0.072076     -0.029053      4.204872
  C      -1.003100     -0.937456      3.835249
  C      -2.191108     -0.748466      3.002578
  N      -2.354375      0.410782      2.369938
  C      -3.524303      0.607256      1.704438
  N      -4.530963     -0.249362      1.518822
  C      -4.363184     -1.479375      2.079071
  C      -5.378956     -2.464562      1.860238
  C      -5.263505     -3.712639      2.423498
  C      -4.139209     -4.016708      3.242969
  C      -3.134356     -3.072872      3.471379
  C      -3.205131     -1.787846      2.882831
  C      -3.561806      0.289125      7.169033
  C      -4.683988      0.754440      8.048454
  C      -6.013986      0.632434      7.859208
  C      -6.669325     -0.098911      6.773359
  N      -5.949311     -1.006485      6.092983
  C      -6.568515     -1.711328      5.099176
  N      -7.829199     -1.659831      4.738199
  C      -8.591975     -0.745889      5.415521
  C      -9.949064     -0.634582      5.063632
  C     -10.739365      0.299810      5.694106
  C     -10.201773      1.162674      6.694398
  C      -8.885332      1.070411      7.064004
  C      -8.049367      0.106022      6.449349
  H      -3.934287      5.933569      6.415187
  H      -4.273513      4.958544      7.853551
  H      -4.725932      3.026998      5.835095
  H      -6.466525      5.569700      5.775846
  H      -6.821144      0.921666      3.007214
  H     -11.098726      2.638847      2.942923
  H     -12.272002      4.525625      4.114010
  H     -11.007857      6.009838      5.665149
  H      -8.592774      5.655375      6.036068
  H       0.961061      1.705317      3.438628
  H      -0.815995      1.734587      3.237818
  H       0.702210     -0.389330      4.892074
  H      -0.891912     -1.930140      4.263564
  H      -3.645446      1.601090      1.271170
  H      -6.248456     -2.191397      1.245729
  H      -6.052837     -4.466289      2.258279
  H      -4.067301     -5.001621      3.701700
  H      -2.283660     -3.335797      4.107874
  H      -3.274694     -0.743342      7.426281
  H      -3.896284      0.256040      6.128858
  H      -4.364054      1.337860      8.922378
  H      -6.667564      1.130555      8.580667
  H      -5.939306     -2.419919      4.546195
  H     -10.331824     -1.292108      4.268991
  H     -11.780330      0.391875      5.409930
  H     -10.831848      1.915546      7.161888
  H      -8.486799      1.753887      7.825380
  N      -3.051578      2.184660      4.735088
90
Coordinates from ORCA-job orca E -6199.510044868593
  N      -2.597623      4.297714      6.784154
  Mo     -1.968436      2.556935      5.989446
  N      -2.430893      1.134299      7.270486
  C      -1.590635      0.904077      8.443103
  C      -0.957492      2.207669      8.942627
  N      -0.347241      2.944388      7.824494
  C      -0.386359      4.406332      7.932064
  C      -1.814289      4.942638      7.835220
  C       0.945297      2.432258      7.349748
  C       1.056787      2.594394      5.826086
  N      -0.178556      2.209968      5.160090
  H      -1.748926      6.031858      7.655820
  H      -2.336985      4.831475      8.810930
  H       0.200367      4.802549      7.086239
  H       0.093025      4.773788      8.864794
  H       1.895131      1.973485      5.470349
  H       1.320580      3.633810      5.576756
  H       0.999427      1.367005      7.606245
  H       1.792957      2.944577      7.849144
  H      -2.183193      0.466717      9.266821
  H      -0.803556      0.160685      8.197393
  H      -1.756933      2.841412      9.356457
  H      -0.230803      2.008377      9.758636
  C      -3.955562      4.866103      6.760409
  C      -4.971264      4.084244      6.003951
  C      -6.145734      4.561017      5.546746
  C      -7.058362      3.694224      4.793441
  N      -6.540413      2.586959      4.219538
  C      -7.347762      1.819255      3.453213
  N      -8.623596      2.029320      3.175865
  C      -9.199191      3.113073      3.794752
  C     -10.580185      3.344955      3.604016
  C     -11.204651      4.378848      4.258005
  C     -10.474292      5.229827      5.120551
  C      -9.123356      5.045318      5.307675
  C      -8.452549      3.991418      4.647448
  C      -0.013265      1.503143      3.893256
  C      -0.036251      0.036439      4.175276
  C      -0.956744     -0.888724      3.818859
  C      -2.166106     -0.716513      3.011138
  N      -2.381543      0.446570      2.372674
  C      -3.554740      0.622584      1.721950
  N      -4.518301     -0.260288      1.551118
  C      -4.299843     -1.494119      2.115041
  C      -5.259978     -2.510710      1.901941
  C      -5.083611     -3.764753      2.465328
  C      -3.956886     -4.040567      3.284276
  C      -3.007801     -3.067267      3.508628
  C      -3.135792     -1.778554      2.913158
  C      -3.577130      0.235360      7.145721
  C      -4.691201      0.689446      8.044284
  C      -6.028472      0.569181      7.865198
  C      -6.704531     -0.144642      6.785054
  N      -6.013927     -1.050724      6.094051
  C      -6.664864     -1.715979      5.109644
  N      -7.938936     -1.623654      4.764276
  C      -8.674015     -0.709317      5.454572
  C     -10.045017     -0.540570      5.121933
  C     -10.801029      0.403920      5.768239
  C     -10.217915      1.219692      6.764362
  C      -8.887088      1.070289      7.114283
  C      -8.087730      0.096720      6.482476
  H      -3.930465      5.914184      6.390822
  H      -4.307874      4.941691      7.817264
  H      -4.753908      3.032334      5.800333
  H      -6.450020      5.606173      5.706561
  H      -6.871814      0.920901      3.000392
  H     -11.124004      2.664468      2.945887
  H     -12.270335      4.539976      4.116959
  H     -10.984485      6.033311      5.639080
  H      -8.572428      5.699358      5.982466
  H       0.934443      1.787265      3.420107
  H      -0.828536      1.751336      3.229724
  H       0.752666     -0.301158      4.843738
  H      -0.816013     -1.879930      4.233874
  H      -3.709676      1.616300      1.282365
  H      -6.131912     -2.260504      1.288271
  H      -5.825329     -4.542719      2.300154
  H      -3.838120     -5.028732      3.744086
  H      -2.150813     -3.309326      4.143408
  H      -3.289186     -0.805556      7.388403
  H      -3.917409      0.223483      6.102809
  H      -4.360963      1.260613      8.917095
  H      -6.674564      1.060598      8.591403
  H      -6.057728     -2.428058      4.548719
  H     -10.461319     -1.161119      4.328822
  H     -11.853421      0.543162      5.498342
  H     -10.820259      1.983881      7.243272
  H      -8.447615      1.722639      7.870747
  N      -3.029621      2.189336      4.781425
90
Coordinates from ORCA-job orca E -6199.508568134410
  N      -2.620143      4.279894      6.827009
  Mo     -1.988155      2.551869      6.011653
  N      -2.414962      1.107955      7.288664
  C      -1.559970      0.878963      8.446253
  C      -0.937368      2.184769      8.945472
  N      -0.355880      2.935315      7.831230
  C      -0.409509      4.397730      7.954464
  C      -1.839255      4.918445      7.880866
  C       0.931094      2.432246      7.342051
  C       1.031833      2.616880      5.826854
  N      -0.207338      2.237967      5.157831
  H      -1.787816      6.013456      7.719541
  H      -2.349209      4.789354      8.857135
  H       0.160954      4.808386      7.111724
  H       0.074619      4.758554      8.881594
  H       1.867937      2.005470      5.456427
  H       1.294935      3.666058      5.596306
  H       0.985629      1.362011      7.581537
  H       1.779006      2.936776      7.844988
  H      -2.136016      0.433307      9.272376
  H      -0.770719      0.145248      8.188806
  H      -1.731433      2.807242      9.373599
  H      -0.200385      1.988362      9.740152
  C      -3.978412      4.830588      6.814858
  C      -4.992325      4.046135      6.047614
  C      -6.169792      4.503638      5.587699
  C      -7.055825      3.636736      4.808779
  N      -6.510831      2.580387      4.234836
  C      -7.287459      1.823774      3.434823
  N      -8.558969      2.005932      3.124325
  C      -9.161720      3.052237      3.739036
  C     -10.538967      3.284864      3.504820
  C     -11.186325      4.327722      4.140096
  C     -10.485129      5.176166      5.030107
  C      -9.140087      4.976149      5.264976
  C      -8.446290      3.920374      4.622755
  C      -0.062417      1.562606      3.840605
  C      -0.054821      0.073721      4.098635
  C      -0.970377     -0.857741      3.746371
  C      -2.182787     -0.700323      2.950925
  N      -2.365605      0.427655      2.283827
  C      -3.522433      0.581282      1.634822
  N      -4.501288     -0.293109      1.493608
  C      -4.314875     -1.495104      2.094976
  C      -5.290802     -2.506303      1.922113
  C      -5.146722     -3.730452      2.523563
  C      -4.036256     -3.980620      3.339109
  C      -3.070004     -3.013160      3.522869
  C      -3.168324     -1.753829      2.890111
  C      -3.551063      0.198831      7.175394
  C      -4.662251      0.638278      8.095206
  C      -5.998646      0.528136      7.925994
  C      -6.673995     -0.152589      6.838128
  N      -5.975875     -1.046367      6.144953
  C      -6.617425     -1.676496      5.154440
  N      -7.894237     -1.555260      4.801244
  C      -8.638414     -0.644842      5.491602
  C     -10.008889     -0.442229      5.147558
  C     -10.771820      0.507638      5.791612
  C     -10.198396      1.289074      6.797172
  C      -8.868597      1.103019      7.159825
  C      -8.060137      0.123504      6.528825
  H      -3.965941      5.877135      6.459833
  H      -4.322197      4.887645      7.869106
  H      -4.765944      3.004689      5.829744
  H      -6.487692      5.529496      5.755650
  H      -6.787025      0.977851      2.978171
  H     -11.060184      2.612843      2.822951
  H     -12.249173      4.502728      3.959683
  H     -11.013145      5.997617      5.529998
  H      -8.609766      5.633056      5.957967
  H       0.883253      1.863305      3.328653
  H      -0.916716      1.843864      3.189120
  H       0.763305     -0.278778      4.752097
  H      -0.807458     -1.860527      4.156485
  H      -3.650576      1.550539      1.166429
  H      -6.148727     -2.277142      1.309455
  H      -5.903553     -4.503854      2.390141
  H      -3.942564     -4.945760      3.829657
  H      -2.224353     -3.235130      4.157849
  H      -3.248675     -0.846053      7.400347
  H      -3.903929      0.197020      6.134924
  H      -4.326785      1.197303      8.973873
  H      -6.640673      1.012472      8.664886
  H      -6.004238     -2.378307      4.591164
  H     -10.418331     -1.037413      4.347200
  H     -11.822500      0.673502      5.511056
  H     -10.806848      2.060218      7.276583
  H      -8.440092      1.727691      7.924106
  N      -3.077428      2.179553      4.794106
90
Coordinates from ORCA-job orca E -6199.507860726477
  N      -2.610391      4.289879      6.821348
  Mo     -1.993979      2.554595      6.017184
  N      -2.443369      1.121309      7.301839
  C      -1.600500      0.882440      8.467498
  C      -0.958530      2.175799      8.960324
  N      -0.363358      2.916005      7.844565
  C      -0.399858      4.376036      7.966362
  C      -1.822938      4.912933      7.883776
  C       0.916807      2.394029      7.360766
  C       1.028058      2.595489      5.846773
  N      -0.221367      2.242440      5.159296
  H      -1.755359      6.012279      7.726431
  H      -2.340137      4.782663      8.858809
  H       0.181608      4.782466      7.126438
  H       0.080977      4.728631      8.897307
  H       1.861751      1.973040      5.477536
  H       1.314383      3.651587      5.626554
  H       0.949954      1.317557      7.592451
  H       1.773681      2.877871      7.872910
  H      -2.189541      0.450427      9.294852
  H      -0.821561      0.135060      8.219925
  H      -1.745343      2.810544      9.382700
  H      -0.225981      1.967943      9.760775
  C      -3.957884      4.862962      6.803185
  C      -4.983720      4.090013      6.036259
  C      -6.158775      4.559737      5.579726
  C      -7.067631      3.696376      4.818246
  N      -6.541933      2.623796      4.245747
  C      -7.342864      1.868528      3.468587
  N      -8.621576      2.066607      3.180587
  C      -9.205475      3.133269      3.795532
  C     -10.590948      3.388849      3.587272
  C     -11.217967      4.459598      4.223208
  C     -10.489111      5.311134      5.089108
  C      -9.136136      5.086008      5.299704
  C      -8.462475      4.002757      4.655095
  C      -0.075019      1.580358      3.828058
  C      -0.040872      0.074221      4.056695
  C      -0.929423     -0.879652      3.691677
  C      -2.170736     -0.736640      2.914627
  N      -2.453067      0.405118      2.275555
  C      -3.667510      0.539520      1.667988
  N      -4.611274     -0.370004      1.544396
  C      -4.317081     -1.586237      2.110633
  C      -5.250785     -2.633398      1.949896
  C      -4.999979     -3.869400      2.514928
  C      -3.821672     -4.094863      3.281768
  C      -2.897138     -3.091544      3.455438
  C      -3.103685     -1.821637      2.857986
  C      -3.596933      0.232349      7.186736
  C      -4.701532      0.709002      8.080737
  C      -6.028619      0.614572      7.894048
  C      -6.696475     -0.096612      6.811111
  N      -5.987977     -1.027008      6.140740
  C      -6.614924     -1.726867      5.158743
  N      -7.878337     -1.650577      4.801049
  C      -8.631121     -0.705119      5.467318
  C      -9.987896     -0.562349      5.116279
  C     -10.765601      0.414576      5.733730
  C     -10.217057      1.284597      6.719570
  C      -8.901175      1.157416      7.091080
  C      -8.076726      0.149878      6.487140
  H      -3.926091      5.909072      6.447540
  H      -4.304470      4.926972      7.855588
  H      -4.768900      3.040801      5.825372
  H      -6.462084      5.588855      5.747600
  H      -6.857552      1.017937      3.008747
  H     -11.134138      2.713631      2.924488
  H     -12.286820      4.654661      4.061542
  H     -11.000687      6.155381      5.589576
  H      -8.583712      5.745848      5.974163
  H       0.868386      1.900085      3.320688
  H      -0.927547      1.865623      3.178417
  H       0.795822     -0.285873      4.696432
  H      -0.717814     -1.904054      4.080371
  H      -3.888725      1.528908      1.224764
  H      -6.164980     -2.420387      1.375915
  H      -5.724528     -4.670915      2.390434
  H      -3.644020     -5.068405      3.743217
  H      -1.999233     -3.292189      4.053027
  H      -3.319120     -0.810878      7.423625
  H      -3.946987      0.226290      6.147415
  H      -4.367723      1.279713      8.955762
  H      -6.669197      1.119122      8.616828
  H      -5.996792     -2.451824      4.611732
  H     -10.379289     -1.226545      4.332688
  H     -11.804372      0.530847      5.448629
  H     -10.837619      2.072131      7.179290
  H      -8.495769      1.842816      7.844611
  N      -3.070621      2.173857      4.800912
90
Coordinates from ORCA-job orca E -6199.509843924520
  N      -2.601708      4.282520      6.782013
  Mo     -1.977951      2.530156      6.011855
  N      -2.429003      1.114200      7.310259
  C      -1.594077      0.891240      8.490096
  C      -0.959261      2.194256      8.973409
  N      -0.356924      2.919040      7.844482
  C      -0.395580      4.381700      7.943944
  C      -1.824149      4.917746      7.842201
  C       0.931391      2.390229      7.370576
  C       1.052085      2.571919      5.850190
  N      -0.192339      2.219037      5.169733
  H      -1.758525      6.009245      7.671609
  H      -2.352340      4.799416      8.814143
  H       0.192954      4.775540      7.098253
  H       0.081778      4.750279      8.876675
  H       1.887936      1.939304      5.489587
  H       1.337259      3.618073      5.612985
  H       0.964208      1.317048      7.613977
  H       1.786158      2.877122      7.881570
  H      -2.191348      0.467552      9.318625
  H      -0.808798      0.140689      8.259095
  H      -1.755722      2.834411      9.385199
  H      -0.227307      1.998447      9.787261
  C      -3.951618      4.863149      6.743078
  C      -4.968602      4.076523      5.984541
  C      -6.137608      4.548091      5.512968
  C      -7.051456      3.668539      4.769828
  N      -6.534031      2.555671      4.213264
  C      -7.342359      1.777945      3.459994
  N      -8.619928      1.984779      3.181416
  C      -9.194654      3.076842      3.781119
  C     -10.577444      3.309725      3.586415
  C     -11.200599      4.356884      4.216184
  C     -10.469165      5.222554      5.059283
  C      -9.116966      5.035830      5.252121
  C      -8.446536      3.966829      4.616243
  C      -0.032418      1.550324      3.880284
  C      -0.035926      0.083107      4.105134
  C      -0.941400     -0.843100      3.722065
  C      -2.144296     -0.677226      2.924592
  N      -2.332853      0.464072      2.260063
  C      -3.511692      0.634051      1.624075
  N      -4.503031     -0.235754      1.494024
  C      -4.309268     -1.450392      2.086066
  C      -5.302067     -2.454550      1.919133
  C      -5.152371     -3.689144      2.512415
  C      -4.019841     -3.956353      3.316367
  C      -3.038363     -2.994058      3.495710
  C      -3.140333     -1.726079      2.868151
  C      -3.578355      0.219934      7.195381
  C      -4.685022      0.690870      8.090067
  C      -6.018453      0.587805      7.908519
  C      -6.696164     -0.124466      6.823124
  N      -6.009444     -1.042074      6.134369
  C      -6.660042     -1.730058      5.147699
  N      -7.923016     -1.651786      4.800204
  C      -8.650889     -0.724402      5.484880
  C     -10.008199     -0.579047      5.148054
  C     -10.759893      0.373975      5.786105
  C     -10.182506      1.224265      6.779350
  C      -8.865571      1.097434      7.135093
  C      -8.070603      0.113392      6.511887
  H      -3.915389      5.908903      6.367479
  H      -4.310942      4.946629      7.798012
  H      -4.757299      3.016821      5.796668
  H      -6.437298      5.594825      5.659709
  H      -6.865704      0.883397      3.018787
  H     -11.122780      2.618259      2.943657
  H     -12.267641      4.521257      4.070567
  H     -10.978507      6.038417      5.557375
  H      -8.566055      5.702780      5.911972
  H       0.898108      1.860545      3.421022
  H      -0.841151      1.802927      3.227026
  H       0.752793     -0.261278      4.757163
  H      -0.794687     -1.834443      4.108191
  H      -3.653041      1.615277      1.160824
  H      -6.178293     -2.210282      1.317037
  H      -5.920999     -4.458180      2.383032
  H      -3.921958     -4.929138      3.801361
  H      -2.179220     -3.226911      4.122482
  H      -3.296236     -0.817785      7.438705
  H      -3.922947      0.206041      6.157295
  H      -4.350957      1.263050      8.964586
  H      -6.659510      1.086469      8.637995
  H      -6.058340     -2.446184      4.588442
  H     -10.420729     -1.226356      4.357981
  H     -11.801029      0.493637      5.513526
  H     -10.782534      1.992012      7.252955
  H      -8.432355      1.769555      7.892697
  N      -3.039743      2.118327      4.792425
90
Coordinates from ORCA-job orca E -6199.509617131582
  N      -2.633494      4.247916      6.808953
  Mo     -2.002023      2.509500      6.020094
  N      -2.412294      1.071259      7.301167
  C      -1.560273      0.852905      8.466351
  C      -0.939520      2.166583      8.957142
  N      -0.366883      2.912334      7.829976
  C      -0.424769      4.375043      7.944121
  C      -1.859144      4.888967      7.866098
  C       0.919796      2.413224      7.329911
  C       1.017500      2.614838      5.814476
  N      -0.217972      2.246118      5.151097
  H      -1.811003      5.980687      7.705141
  H      -2.375043      4.758045      8.841004
  H       0.145225      4.784031      7.096843
  H       0.059945      4.745129      8.871428
  H       1.850761      2.006416      5.433702
  H       1.277182      3.657629      5.591282
  H       0.970770      1.341305      7.553386
  H       1.771772      2.906877      7.837733
  H      -2.139311      0.411424      9.296593
  H      -0.768264      0.115884      8.217024
  H      -1.737132      2.789048      9.388675
  H      -0.194687      1.978104      9.753658
  C      -3.986593      4.817597      6.780954
  C      -4.997505      4.038850      6.014216
  C      -6.165133      4.512149      5.541115
  C      -7.072292      3.641940      4.780187
  N      -6.555004      2.524890      4.227512
  C      -7.354841      1.751989      3.453130
  N      -8.621087      1.968791      3.143718
  C      -9.194393      3.066680      3.734391
  C     -10.562771      3.315568      3.499598
  C     -11.184791      4.371294      4.114329
  C     -10.465511      5.230160      4.982779
  C      -9.127139      5.028545      5.214692
  C      -8.457514      3.951100      4.594773
  C      -0.052650      1.601678      3.844192
  C       0.016966      0.114704      4.080974
  C      -0.876593     -0.833459      3.717544
  C      -2.108020     -0.666328      2.937151
  N      -2.302290      0.481368      2.268715
  C      -3.484696      0.653338      1.637907
  N      -4.480425     -0.218914      1.519028
  C      -4.287129     -1.438011      2.118299
  C      -5.287002     -2.442861      1.962335
  C      -5.133483     -3.684421      2.557392
  C      -3.990828     -3.958065      3.353037
  C      -3.003495     -2.994982      3.523048
  C      -3.109257     -1.719071      2.893085
  C      -3.551070      0.158326      7.188545
  C      -4.664077      0.602310      8.102195
  C      -6.005793      0.493107      7.934407
  C      -6.692123     -0.199472      6.853605
  N      -6.014061     -1.123144      6.167226
  C      -6.675755     -1.760142      5.187324
  N      -7.957232     -1.613269      4.840943
  C      -8.679932     -0.672384      5.523511
  C     -10.055001     -0.438569      5.186427
  C     -10.792276      0.535955      5.822782
  C     -10.190013      1.314345      6.815560
  C      -8.856092      1.098014      7.171916
  C      -8.074569      0.096462      6.547738
  H      -3.958464      5.864111      6.415428
  H      -4.343213      4.888740      7.834599
  H      -4.777953      2.988506      5.816294
  H      -6.463034      5.558940      5.691731
  H      -6.878794      0.844641      3.021822
  H     -11.098353      2.632132      2.835790
  H     -12.240486      4.548959      3.937428
  H     -10.974782      6.053603      5.467123
  H      -8.586245      5.692199      5.891757
  H       0.878338      1.958331      3.332355
  H      -0.914153      1.851503      3.211857
  H       0.850537     -0.219736      4.713008
  H      -0.689111     -1.836074      4.098057
  H      -3.621601      1.632890      1.167988
  H      -6.169808     -2.194472      1.365660
  H      -5.905925     -4.453231      2.434942
  H      -3.889267     -4.936307      3.839004
  H      -2.137390     -3.233792      4.144108
  H      -3.253072     -0.885819      7.423117
  H      -3.899510      0.150149      6.145374
  H      -4.328535      1.167328      8.975879
  H      -6.644522      0.988883      8.669540
  H      -6.075667     -2.493772      4.629003
  H     -10.485083     -1.033920      4.396468
  H     -11.847762      0.726676      5.548604
  H     -10.778110      2.102680      7.289443
  H      -8.405023      1.718659      7.929215
  N      -3.081371      2.110700      4.808253
90
Coordinates from ORCA-job orca E -6199.509761515393
  N      -2.633666      4.251484      6.812664
  Mo     -2.004585      2.503985      6.033124
  N      -2.428613      1.072167      7.327675
  C      -1.582646      0.851714      8.493576
  C      -0.950625      2.155427      8.973095
  N      -0.372736      2.890929      7.847210
  C      -0.425166      4.354058      7.957456
  C      -1.854267      4.880047      7.872759
  C       0.906085      2.375094      7.355347
  C       1.014589      2.586188      5.844809
  N      -0.233740      2.242875      5.161549
  H      -1.796097      5.976582      7.713500
  H      -2.372815      4.749347      8.844773
  H       0.149704      4.758288      7.113319
  H       0.053162      4.719053      8.887119
  H       1.846714      1.967967      5.467929
  H       1.296886      3.638788      5.629557
  H       0.939466      1.299134      7.575866
  H       1.763740      2.852219      7.869951
  H      -2.167526      0.425662      9.324000
  H      -0.797934      0.107556      8.254368
  H      -1.740857      2.786327      9.396688
  H      -0.210116      1.961183      9.767688
  C      -3.978399      4.831280      6.778656
  C      -5.001901      4.056555      6.010048
  C      -6.169149      4.525505      5.536428
  C      -7.067916      3.655882      4.777713
  N      -6.532676      2.592559      4.224167
  C      -7.321423      1.825720      3.450993
  N      -8.598394      2.003089      3.152297
  C      -9.191444      3.063745      3.747051
  C     -10.574844      3.301772      3.525202
  C     -11.209480      4.373205      4.138417
  C     -10.490548      5.238424      4.996330
  C      -9.140415      5.027220      5.221372
  C      -8.459793      3.946960      4.599057
  C      -0.088015      1.606974      3.825604
  C      -0.025764      0.108015      4.026714
  C      -0.908314     -0.846978      3.654447
  C      -2.148125     -0.700318      2.888845
  N      -2.387353      0.421781      2.230820
  C      -3.573616      0.564776      1.618466
  N      -4.527066     -0.317452      1.503868
  C      -4.281505     -1.514707      2.094071
  C      -5.227443     -2.535671      1.943917
  C      -5.020247     -3.756071      2.529592
  C      -3.875330     -3.990166      3.308305
  C      -2.939422     -3.012749      3.472365
  C      -3.100907     -1.759593      2.851152
  C      -3.578362      0.177294      7.222726
  C      -4.679998      0.647645      8.125610
  C      -6.012474      0.564283      7.944614
  C      -6.693593     -0.108546      6.852008
  N      -6.004879     -1.004282      6.155690
  C      -6.654599     -1.646192      5.169521
  N      -7.928359     -1.541617      4.826677
  C      -8.660730     -0.627586      5.520186
  C     -10.027519     -0.446049      5.189507
  C     -10.778310      0.508353      5.837483
  C     -10.197254      1.316662      6.832301
  C      -8.871203      1.149894      7.183941
  C      -8.074931      0.164360      6.548332
  H      -3.936148      5.875236      6.411274
  H      -4.334947      4.908521      7.829562
  H      -4.790069      3.006353      5.816871
  H      -6.470647      5.557473      5.687937
  H      -6.826013      0.975419      3.010703
  H     -11.110205      2.615560      2.869441
  H     -12.276617      4.556934      3.965312
  H     -11.008490      6.083295      5.478844
  H      -8.595150      5.696308      5.889558
  H       0.841686      1.956862      3.320452
  H      -0.951954      1.881731      3.185622
  H       0.818969     -0.243619      4.653139
  H      -0.692125     -1.868185      4.023995
  H      -3.751492      1.531711      1.155184
  H      -6.113360     -2.317988      1.359730
  H      -5.752270     -4.538176      2.410695
  H      -3.731779     -4.951558      3.786282
  H      -2.065827     -3.220257      4.080852
  H      -3.294634     -0.863568      7.456780
  H      -3.934015      0.172108      6.186897
  H      -4.339678      1.204357      9.004519
  H      -6.645890      1.057765      8.678796
  H      -6.051177     -2.344314      4.598733
  H     -10.443034     -1.062591      4.397338
  H     -11.825201      0.656624      5.566704
  H     -10.795554      2.089401      7.318136
  H      -8.438254      1.790774      7.945370
  N      -3.082072      2.095611      4.818738
90
Coordinates from ORCA-job orca E -6199.511573397003
  N      -2.640802      4.232088      6.817019
  Mo     -2.007756      2.494019      6.034178
  N      -2.425499      1.053506      7.325826
  C      -1.582951      0.830944      8.495982
  C      -0.955706      2.138068      8.982642
  N      -0.380251      2.882258      7.856912
  C      -0.436906      4.342910      7.981594
  C      -1.871071      4.855079      7.898997
  C       0.905574      2.378896      7.361945
  C       1.017878      2.609051      5.850557
  N      -0.227146      2.269315      5.155050
  H      -1.819187      5.956827      7.759607
  H      -2.396597      4.702892      8.870257
  H       0.138584      4.758714      7.141905
  H       0.041388      4.704014      8.913067
  H       1.851592      1.996555      5.466564
  H       1.298878      3.664891      5.650418
  H       0.941657      1.298545      7.566205
  H       1.759534      2.852048      7.888740
  H      -2.171411      0.399976      9.326036
  H      -0.798185      0.087563      8.255460
  H      -1.750142      2.762065      9.411942
  H      -0.212065      1.946953      9.780073
  C      -3.986589      4.810528      6.770482
  C      -4.996356      4.041052      5.988878
  C      -6.157729      4.517646      5.504488
  C      -7.067812      3.655991      4.749324
  N      -6.551686      2.538990      4.216416
  C      -7.358793      1.772381      3.460094
  N      -8.632653      1.995088      3.159850
  C      -9.206476      3.102545      3.735454
  C     -10.589659      3.366967      3.520695
  C     -11.211645      4.445152      4.133959
  C     -10.478668      5.302302      4.978613
  C      -9.126332      5.079288      5.189897
  C      -8.458775      3.982105      4.571854
  C      -0.059980      1.653998      3.815735
  C       0.002081      0.160590      3.979199
  C      -0.873082     -0.792272      3.586471
  C      -2.107425     -0.658564      2.821029
  N      -2.341555      0.456983      2.130968
  C      -3.552931      0.583718      1.531689
  N      -4.539962     -0.304591      1.465330
  C      -4.300246     -1.495135      2.087126
  C      -5.286016     -2.522460      1.990816
  C      -5.090273     -3.733134      2.616274
  C      -3.919048     -3.950597      3.384405
  C      -2.943589     -2.965522      3.494830
  C      -3.091559     -1.723217      2.830802
  C      -3.571812      0.155241      7.220384
  C      -4.665530      0.630179      8.141253
  C      -6.000788      0.549361      7.972814
  C      -6.691392     -0.145128      6.887697
  N      -6.011879     -1.089106      6.209104
  C      -6.662114     -1.765829      5.220668
  N      -7.920770     -1.655188      4.860921
  C      -8.642959     -0.697658      5.532896
  C      -9.993225     -0.511538      5.176032
  C     -10.740102      0.479600      5.797341
  C     -10.164348      1.322742      6.793471
  C      -8.854823      1.156741      7.169881
  C      -8.062811      0.134718      6.562309
  H      -3.946428      5.854091      6.413223
  H      -4.352469      4.876632      7.814277
  H      -4.784384      2.988602      5.797911
  H      -6.452021      5.554954      5.651238
  H      -6.885291      0.874291      3.037479
  H     -11.136155      2.681917      2.877560
  H     -12.279336      4.636207      3.972892
  H     -10.986327      6.144153      5.464962
  H      -8.572091      5.739599      5.850437
  H       0.858342      2.019277      3.344487
  H      -0.897762      1.916137      3.178808
  H       0.821213     -0.184064      4.607652
  H      -0.674416     -1.798881      3.948158
  H      -3.727113      1.545538      1.038657
  H      -6.194466     -2.316392      1.416606
  H      -5.855307     -4.520583      2.541620
  H      -3.787026     -4.903966      3.896633
  H      -2.054846     -3.156948      4.098186
  H      -3.283830     -0.892230      7.449657
  H      -3.930429      0.154153      6.182448
  H      -4.315193      1.191516      9.017928
  H      -6.629740      1.053131      8.711452
  H      -6.065810     -2.500979      4.669486
  H     -10.405230     -1.153360      4.383685
  H     -11.773718      0.630311      5.507761
  H     -10.761269      2.117572      7.255561
  H      -8.425605      1.824707      7.929721
  N      -3.072080      2.095311      4.837064
90
Coordinates from ORCA-job orca E -6199.510136717162
  N      -2.630212      4.243548      6.790914
  Mo     -2.015623      2.483798      6.038162
  N      -2.431134      1.062766      7.338162
  C      -1.594990      0.846700      8.521459
  C      -0.962012      2.153860      8.993430
  N      -0.383892      2.877413      7.853977
  C      -0.427112      4.338718      7.948487
  C      -1.856999      4.867890      7.855124
  C       0.897833      2.351589      7.360289
  C       1.013407      2.570015      5.844594
  N      -0.234858      2.240946      5.163940
  H      -1.799061      5.958865      7.697207
  H      -2.381292      4.736550      8.823068
  H       0.152443      4.733631      7.098124
  H       0.054697      4.709308      8.875512
  H       1.842644      1.937512      5.466341
  H       1.305182      3.619546      5.626633
  H       0.920890      1.270438      7.575151
  H       1.760206      2.813636      7.880763
  H      -2.190322      0.427945      9.353967
  H      -0.809534      0.092301      8.296631
  H      -1.755789      2.791059      9.415978
  H      -0.216400      1.963943      9.794985
  C      -3.971466      4.847020      6.738224
  C      -4.987681      4.065186      5.973793
  C      -6.142307      4.552213      5.480869
  C      -7.060832      3.677030      4.733666
  N      -6.560173      2.558244      4.188883
  C      -7.376499      1.771705      3.440819
  N      -8.646376      1.971799      3.153453
  C      -9.202334      3.070314      3.739024
  C     -10.574948      3.296229      3.536869
  C     -11.180733      4.346992      4.157053
  C     -10.439219      5.232533      4.992426
  C      -9.096245      5.056244      5.189611
  C      -8.444891      3.977340      4.567796
  C      -0.076750      1.627528      3.845722
  C       0.007850      0.146247      4.023767
  C      -0.867495     -0.804383      3.629660
  C      -2.106091     -0.638693      2.867375
  N      -2.327529      0.509310      2.189572
  C      -3.519705      0.667354      1.577644
  N      -4.497355     -0.222491      1.487724
  C      -4.271460     -1.441833      2.096186
  C      -5.243429     -2.468504      1.967182
  C      -5.048618     -3.710781      2.567716
  C      -3.893946     -3.960437      3.345917
  C      -2.935788     -2.975226      3.491443
  C      -3.082737     -1.702531      2.851596
  C      -3.583167      0.168008      7.226972
  C      -4.685506      0.636276      8.125744
  C      -6.020485      0.546066      7.949596
  C      -6.712360     -0.149813      6.864798
  N      -6.046552     -1.087832      6.174277
  C      -6.717662     -1.750221      5.193218
  N      -7.988654     -1.624594      4.854402
  C      -8.695901     -0.674400      5.540218
  C     -10.058798     -0.479370      5.212467
  C     -10.785369      0.494319      5.852420
  C     -10.177823      1.316068      6.838576
  C      -8.855666      1.138465      7.186614
  C      -8.086365      0.132801      6.560708
  H      -3.916682      5.893632      6.356239
  H      -4.343805      4.940798      7.792534
  H      -4.786733      2.996680      5.801194
  H      -6.424488      5.611528      5.614478
  H      -6.913400      0.872715      3.012985
  H     -11.127289      2.594800      2.897289
  H     -12.240385      4.502424      4.008920
  H     -10.935460      6.052874      5.481920
  H      -8.537077      5.738185      5.844029
  H       0.835840      2.007686      3.357263
  H      -0.931837      1.873132      3.221320
  H       0.847144     -0.193950      4.638594
  H      -0.655292     -1.817987      3.968469
  H      -3.683327      1.653295      1.096699
  H      -6.134629     -2.238428      1.383316
  H      -5.796272     -4.498318      2.462443
  H      -3.759398     -4.938635      3.836761
  H      -2.057654     -3.192359      4.099824
  H      -3.301740     -0.869832      7.466809
  H      -3.934095      0.157546      6.190057
  H      -4.347580      1.201906      9.002554
  H      -6.653579      1.049027      8.686531
  H      -6.130500     -2.488909      4.631841
  H     -10.493957     -1.105173      4.426902
  H     -11.831074      0.652083      5.587026
  H     -10.758585      2.102053      7.314311
  H      -8.399091      1.787665      7.939792
  N      -3.084749      2.021245      4.798982
90
Coordinates from ORCA-job orca E -6199.512958400660
  N      -2.663214      4.186519      6.797921
  Mo     -2.026348      2.429343      6.050098
  N      -2.411494      1.001476      7.356247
  C      -1.562043      0.802584      8.525822
  C      -0.941115      2.122805      8.989810
  N      -0.389876      2.855788      7.845259
  C      -0.460049      4.322348      7.940874
  C      -1.898278      4.828109      7.858422
  C       0.890655      2.357960      7.331806
  C       0.986323      2.591261      5.822333
  N      -0.252970      2.251944      5.149944
  H      -1.857948      5.919439      7.700355
  H      -2.417590      4.692318      8.828098
  H       0.104010      4.724728      7.087291
  H       0.022681      4.707630      8.864446
  H       1.814297      1.983750      5.426743
  H       1.255285      3.636118      5.620456
  H       0.931296      1.280959      7.528663
  H       1.748764      2.830151      7.848720
  H      -2.144083      0.380529      9.360571
  H      -0.771749      0.059400      8.294187
  H      -1.734885      2.747540      9.422357
  H      -0.185765      1.948905      9.777764
  C      -4.006768      4.774650      6.740368
  C      -5.020213      3.996530      5.971750
  C      -6.175702      4.474454      5.477262
  C      -7.088257      3.596038      4.735781
  N      -6.573155      2.473449      4.216398
  C      -7.374297      1.692916      3.464179
  N      -8.641264      1.910704      3.148990
  C      -9.212845      3.022750      3.704096
  C     -10.582331      3.290060      3.457464
  C     -11.200491      4.385961      4.028270
  C     -10.477494      5.256620      4.867986
  C      -9.138960      5.027580      5.115115
  C      -8.472617      3.917163      4.536414
  C      -0.081703      1.663163      3.817973
  C       0.055925      0.174885      3.979032
  C      -0.808908     -0.788273      3.592724
  C      -2.061439     -0.626481      2.852050
  N      -2.269319      0.497442      2.173773
  C      -3.464678      0.664795      1.573903
  N      -4.456806     -0.192019      1.491506
  C      -4.252167     -1.387568      2.105088
  C      -5.253253     -2.377263      1.991011
  C      -5.086550     -3.596537      2.600545
  C      -3.927117     -3.861228      3.369764
  C      -2.939276     -2.912405      3.500488
  C      -3.059466     -1.661332      2.851533
  C      -3.557015      0.097379      7.270915
  C      -4.655393      0.563494      8.181822
  C      -5.995622      0.482805      8.009107
  C      -6.693152     -0.185072      6.919852
  N      -6.034224     -1.097117      6.221965
  C      -6.709596     -1.712207      5.235908
  N      -7.985028     -1.557130      4.893099
  C      -8.685599     -0.624183      5.586429
  C     -10.052340     -0.377126      5.253921
  C     -10.766112      0.598706      5.899428
  C     -10.147948      1.363801      6.897156
  C      -8.821946      1.131118      7.250812
  C      -8.065478      0.128605      6.616390
  H      -3.955370      5.816384      6.359551
  H      -4.378108      4.867196      7.789211
  H      -4.815190      2.939448      5.802016
  H      -6.461730      5.524214      5.603469
  H      -6.897206      0.786731      3.060342
  H     -11.121270      2.599051      2.816023
  H     -12.256767      4.587395      3.837467
  H     -10.983701      6.117359      5.316402
  H      -8.593915      5.703492      5.768496
  H       0.819071      2.081689      3.315324
  H      -0.958202      1.899120      3.205630
  H       0.917103     -0.157069      4.576063
  H      -0.577893     -1.802076      3.919988
  H      -3.612038      1.624991      1.091578
  H      -6.149853     -2.136597      1.415210
  H      -5.858926     -4.354860      2.508332
  H      -3.815985     -4.821016      3.867280
  H      -2.061196     -3.140727      4.105647
  H      -3.263367     -0.934028      7.514426
  H      -3.918332      0.080233      6.241614
  H      -4.308812      1.118533      9.056228
  H      -6.623056      0.981910      8.743963
  H      -6.125926     -2.431762      4.665423
  H     -10.494730     -0.961406      4.459316
  H     -11.814420      0.802804      5.626708
  H     -10.717531      2.154170      7.379487
  H      -8.356686      1.739485      8.013205
  N      -3.111956      1.996442      4.859122
90
Coordinates from ORCA-job orca E -6199.512688446413
  N      -2.654010      4.202601      6.814877
  Mo     -2.024760      2.457275      6.051997
  N      -2.433671      1.012842      7.351383
  C      -1.597034      0.793699      8.525352
  C      -0.964169      2.099427      9.004817
  N      -0.397104      2.839095      7.872466
  C      -0.452964      4.299071      7.992948
  C      -1.886692      4.811554      7.909389
  C       0.880131      2.326319      7.373073
  C       1.001407      2.587040      5.867748
  N      -0.252176      2.282927      5.157368
  H      -1.831435      5.917697      7.782806
  H      -2.417128      4.645496      8.877171
  H       0.122892      4.714516      7.152608
  H       0.023021      4.659143      8.925463
  H       1.828737      1.967712      5.479211
  H       1.305583      3.644886      5.684528
  H       0.893429      1.240716      7.555633
  H       1.744116      2.770435      7.913174
  H      -2.191896      0.371203      9.356458
  H      -0.815333      0.045078      8.295056
  H      -1.754546      2.725000      9.436564
  H      -0.214169      1.909460      9.796501
  C      -3.989291      4.802414      6.745832
  C      -5.000534      4.044396      5.956106
  C      -6.148946      4.533038      5.451972
  C      -7.064709      3.672215      4.696768
  N      -6.557315      2.572270      4.163060
  C      -7.370735      1.789767      3.414086
  N      -8.647770      1.977570      3.123126
  C      -9.213146      3.074880      3.696808
  C     -10.597668      3.306939      3.494303
  C     -11.207785      4.389272      4.104001
  C     -10.461086      5.281393      4.932118
  C      -9.108236      5.081722      5.134290
  C      -8.453401      3.981412      4.520894
  C      -0.096360      1.718749      3.783988
  C       0.031485      0.216663      3.904463
  C      -0.815792     -0.756462      3.502248
  C      -2.068846     -0.634955      2.763747
  N      -2.312837      0.462746      2.061730
  C      -3.531087      0.576106      1.480591
  N      -4.513674     -0.311359      1.440062
  C      -4.264908     -1.484891      2.077965
  C      -5.246923     -2.512366      2.010942
  C      -5.041699     -3.706012      2.653352
  C      -3.865256     -3.904703      3.410404
  C      -2.892294     -2.919848      3.491969
  C      -3.049804     -1.695757      2.807529
  C      -3.589725      0.119978      7.249128
  C      -4.675636      0.601108      8.175894
  C      -6.008864      0.543650      8.006278
  C      -6.700750     -0.123199      6.918139
  N      -6.023658     -1.060235      6.239783
  C      -6.677603     -1.721091      5.262017
  N      -7.944993     -1.604354      4.915720
  C      -8.665794     -0.649318      5.589032
  C     -10.023766     -0.460028      5.251263
  C     -10.763250      0.528828      5.876677
  C     -10.175829      1.366190      6.855066
  C      -8.858560      1.195800      7.213297
  C      -8.074339      0.171588      6.602507
  H      -3.925750      5.842582      6.383106
  H      -4.370480      4.880510      7.781469
  H      -4.803760      2.987244      5.780372
  H      -6.430167      5.571768      5.587908
  H      -6.900652      0.904382      2.992467
  H     -11.155229      2.594635      2.863968
  H     -12.276719      4.558103      3.952281
  H     -10.959757      6.127645      5.414865
  H      -8.542657      5.765584      5.783637
  H       0.805357      2.134082      3.290626
  H      -0.970204      1.985294      3.168813
  H       0.886101     -0.123881      4.505155
  H      -0.569159     -1.774789      3.829124
  H      -3.716164      1.525050      0.977391
  H      -6.159910     -2.321085      1.445654
  H      -5.803600     -4.493933      2.600046
  H      -3.726490     -4.844075      3.936892
  H      -1.999377     -3.095275      4.089672
  H      -3.310061     -0.939066      7.470354
  H      -3.957444      0.130857      6.206905
  H      -4.321892      1.144319      9.057733
  H      -6.634178      1.043684      8.749782
  H      -6.081609     -2.450774      4.705582
  H     -10.444246     -1.098496      4.471452
  H     -11.802369      0.679800      5.601180
  H     -10.766115      2.159877      7.323197
  H      -8.419561      1.857939      7.961405
  N      -3.083445      2.032546      4.861195
90
Coordinates from ORCA-job orca E -6199.510655698590
  N      -2.680584      4.181800      6.811004
  Mo     -2.045684      2.426185      6.064386
  N      -2.416255      0.999783      7.375107
  C      -1.571417      0.796975      8.549535
  C      -0.952407      2.114705      9.008904
  N      -0.409611      2.844479      7.865036
  C      -0.480831      4.307924      7.965856
  C      -1.919812      4.807914      7.885883
  C       0.869573      2.338104      7.353495
  C       0.975635      2.585488      5.846774
  N      -0.275006      2.268703      5.156733
  H      -1.883834      5.906153      7.747433
  H      -2.441552      4.651503      8.853169
  H       0.081795      4.715989      7.116725
  H      -0.001073      4.685711      8.888660
  H       1.803503      1.966077      5.451356
  H       1.264665      3.642118      5.653110
  H       0.898064      1.252878      7.540402
  H       1.730816      2.790801      7.880151
  H      -2.155673      0.379690      9.386008
  H      -0.784194      0.049311      8.323025
  H      -1.745805      2.738742      9.443795
  H      -0.193313      1.940075      9.792452
  C      -4.019333      4.774435      6.750001
  C      -5.032280      3.996046      5.972138
  C      -6.182697      4.476611      5.469611
  C      -7.094371      3.618370      4.715895
  N      -6.585400      2.499853      4.194625
  C      -7.396072      1.748178      3.440001
  N      -8.664884      1.993395      3.130299
  C      -9.229477      3.107178      3.692815
  C     -10.607494      3.400900      3.466758
  C     -11.222077      4.480341      4.071003
  C     -10.486852      5.313102      4.916119
  C      -9.138869      5.067351      5.135293
  C      -8.479272      3.966166      4.527653
  C      -0.110625      1.702561      3.801525
  C       0.020889      0.212209      3.907998
  C      -0.824123     -0.756881      3.491807
  C      -2.081864     -0.622689      2.758853
  N      -2.346958      0.497850      2.060797
  C      -3.559152      0.613107      1.481282
  N      -4.517366     -0.296422      1.443974
  C      -4.244349     -1.490527      2.078158
  C      -5.188162     -2.542682      2.008831
  C      -4.946533     -3.757499      2.640206
  C      -3.774237     -3.951214      3.392271
  C      -2.840675     -2.942501      3.477898
  C      -3.033913     -1.699900      2.802411
  C      -3.562947      0.098969      7.283001
  C      -4.649536      0.569810      8.213960
  C      -5.988689      0.509642      8.050340
  C      -6.699677     -0.152889      6.950297
  N      -6.047892     -1.108644      6.252241
  C      -6.719284     -1.748919      5.248474
  N      -7.975102     -1.589630      4.890553
  C      -8.667895     -0.617283      5.579709
  C     -10.011757     -0.379337      5.221722
  C     -10.728859      0.627010      5.857572
  C     -10.129102      1.432205      6.870852
  C      -8.826195      1.215307      7.250221
  C      -8.063424      0.176905      6.626751
  H      -3.965113      5.816002      6.375863
  H      -4.391852      4.860293      7.797329
  H      -4.826082      2.936199      5.802540
  H      -6.463288      5.525245      5.598897
  H      -6.932350      0.837179      3.034143
  H     -11.155750      2.734526      2.823513
  H     -12.286142      4.690112      3.902707
  H     -10.988637      6.153479      5.397326
  H      -8.583016      5.709291      5.795957
  H       0.781082      2.127902      3.328685
  H      -0.972125      1.946319      3.187025
  H       0.870723     -0.122744      4.503179
  H      -0.575214     -1.776059      3.799452
  H      -3.758358      1.581678      0.975656
  H      -6.094341     -2.355863      1.444918
  H      -5.673864     -4.566067      2.579850
  H      -3.604516     -4.907484      3.909175
  H      -1.945428     -3.114003      4.067929
  H      -3.271040     -0.948305      7.506329
  H      -3.931719      0.101697      6.249288
  H      -4.289162      1.116610      9.100032
  H      -6.603526      1.016528      8.802109
  H      -6.144602     -2.494343      4.681586
  H     -10.442516     -0.992863      4.416066
  H     -11.756819      0.817605      5.566237
  H     -10.703133      2.236793      7.345746
  H      -8.380372      1.853145      8.024434
  N      -3.122024      1.957369      4.847090
90
Coordinates from ORCA-job orca E -6199.513890962827
  N      -2.667511      4.164437      6.790799
  Mo     -2.035716      2.398443      6.064172
  N      -2.417106      0.978067      7.383630
  C      -1.574414      0.790384      8.563854
  C      -0.949150      2.112114      9.013948
  N      -0.400292      2.834199      7.857513
  C      -0.467724      4.299195      7.943060
  C      -1.907668      4.801519      7.856901
  C       0.879801      2.328348      7.342176
  C       0.982122      2.571013      5.832645
  N      -0.259374      2.247718      5.159748
  H      -1.869909      5.891740      7.703386
  H      -2.429358      4.658821      8.823622
  H       0.097154      4.697402      7.086121
  H       0.014918      4.687942      8.864805
  H       1.807091      1.954471      5.435419
  H       1.261208      3.614771      5.631697
  H       0.907935      1.247207      7.529809
  H       1.742379      2.783823      7.865879
  H      -2.162807      0.380666      9.402641
  H      -0.785317      0.039133      8.347107
  H      -1.742832      2.742086      9.445458
  H      -0.187896      1.942970      9.803586
  C      -4.003424      4.774183      6.708775
  C      -5.011286      3.997900      5.934596
  C      -6.152396      4.489977      5.418513
  C      -7.071688      3.612195      4.683770
  N      -6.570886      2.469704      4.177817
  C      -7.384344      1.671154      3.450989
  N      -8.651096      1.882319      3.150180
  C      -9.207059      3.009318      3.691715
  C     -10.575272      3.257439      3.463753
  C     -11.179625      4.357190      4.023759
  C     -10.442047      5.261497      4.828361
  C      -9.103858      5.055090      5.056000
  C      -8.452607      3.932345      4.492004
  C      -0.087073      1.693772      3.819669
  C       0.085356      0.210634      3.935465
  C      -0.766265     -0.753179      3.524187
  C      -2.031272     -0.582148      2.799419
  N      -2.238120      0.544471      2.104738
  C      -3.441026      0.713192      1.513439
  N      -4.441146     -0.143458      1.457178
  C      -4.241352     -1.337886      2.091190
  C      -5.255806     -2.324520      2.009552
  C      -5.090384     -3.541953      2.640234
  C      -3.918289     -3.806490      3.399129
  C      -2.918991     -2.859225      3.499373
  C      -3.039028     -1.612187      2.827963
  C      -3.566075      0.077705      7.306413
  C      -4.662736      0.558342      8.201084
  C      -6.004929      0.479076      8.027869
  C      -6.716697     -0.203277      6.943883
  N      -6.079703     -1.132567      6.239499
  C      -6.775152     -1.756983      5.254995
  N      -8.045758     -1.597670      4.921939
  C      -8.722568     -0.652791      5.620684
  C     -10.083829     -0.403824      5.296279
  C     -10.776269      0.582753      5.944132
  C     -10.137404      1.359253      6.937566
  C      -8.816745      1.124185      7.284195
  C      -8.082815      0.111929      6.647316
  H      -3.933323      5.815144      6.318490
  H      -4.393237      4.880605      7.753770
  H      -4.817379      2.930003      5.783757
  H      -6.424273      5.552732      5.528180
  H      -6.920226      0.758030      3.054760
  H     -11.124263      2.545072      2.847086
  H     -12.235078      4.539050      3.849630
  H     -10.936795      6.128847      5.266466
  H      -8.547900      5.757712      5.683577
  H       0.795297      2.145963      3.322694
  H      -0.968702      1.920367      3.222879
  H       0.956866     -0.119652      4.513472
  H      -0.517592     -1.770300      3.812882
  H      -3.585448      1.672834      1.013495
  H      -6.161886     -2.083992      1.441669
  H      -5.872363     -4.298823      2.572397
  H      -3.808251     -4.764442      3.913445
  H      -2.032941     -3.083290      4.099179
  H      -3.278763     -0.939405      7.568719
  H      -3.923022      0.040554      6.285016
  H      -4.314414      1.124254      9.071540
  H      -6.627143      0.990204      8.760468
  H      -6.208867     -2.486081      4.679814
  H     -10.541722     -0.994212      4.504126
  H     -11.820919      0.789791      5.678024
  H     -10.690882      2.159813      7.419660
  H      -8.334770      1.741139      8.043035
  N      -3.106565      1.935986      4.862154
90
Coordinates from ORCA-job orca E -6199.514657523498
  N      -2.685889      4.155453      6.801058
  Mo     -2.046109      2.396131      6.071707
  N      -2.418866      0.967232      7.389412
  C      -1.576747      0.775411      8.564837
  C      -0.956323      2.095893      9.020796
  N      -0.414036      2.824316      7.871207
  C      -0.487563      4.288363      7.966971
  C      -1.928217      4.783916      7.882323
  C       0.861672      2.314564      7.363959
  C       0.975197      2.570561      5.859952
  N      -0.277540      2.266399      5.162181
  H      -1.890761      5.884517      7.744679
  H      -2.454267      4.623764      8.849699
  H       0.077595      4.695251      7.116077
  H      -0.011114      4.671355      8.892517
  H       1.800535      1.949310      5.467850
  H       1.276332      3.623624      5.670165
  H       0.876718      1.230120      7.543798
  H       1.727433      2.757339      7.899210
  H      -2.165840      0.361919      9.402393
  H      -0.788067      0.028625      8.345200
  H      -1.748000      2.718990      9.455944
  H      -0.194223      1.925964      9.803155
  C      -4.018224      4.757067      6.720186
  C      -5.029204      3.987909      5.937889
  C      -6.173215      4.472738      5.422716
  C      -7.095832      3.603634      4.676009
  N      -6.598567      2.485314      4.154217
  C      -7.418076      1.707903      3.406346
  N      -8.689484      1.921387      3.101194
  C      -9.243437      3.035802      3.659045
  C     -10.619966      3.299533      3.433968
  C     -11.220950      4.390719      4.025593
  C     -10.472734      5.262637      4.859914
  C      -9.126962      5.038210      5.082157
  C      -8.479776      3.930481      4.485652
  C      -0.112413      1.724657      3.797745
  C       0.047893      0.235233      3.890476
  C      -0.776748     -0.743552      3.463886
  C      -2.026269     -0.610375      2.733125
  N      -2.261497      0.492101      2.032753
  C      -3.481852      0.627351      1.458127
  N      -4.472095     -0.243303      1.424149
  C      -4.232899     -1.420415      2.062896
  C      -5.227121     -2.428735      2.005173
  C      -5.025568     -3.627547      2.644035
  C      -3.839909     -3.850415      3.389342
  C      -2.858258     -2.882701      3.465118
  C      -3.012894     -1.655061      2.782546
  C      -3.568087      0.061576      7.306264
  C      -4.652894      0.533575      8.242891
  C      -5.986078      0.494357      8.071803
  C      -6.682639     -0.138319      6.972897
  N      -6.020569     -1.076070      6.289537
  C      -6.685699     -1.695929      5.304779
  N      -7.956728     -1.535057      4.957063
  C      -8.661822     -0.573722      5.635241
  C     -10.021938     -0.337668      5.299376
  C     -10.740854      0.653898      5.932258
  C     -10.132570      1.448948      6.917471
  C      -8.813274      1.230089      7.274690
  C      -8.051089      0.200721      6.656250
  H      -3.949217      5.793856      6.340916
  H      -4.402516      4.853165      7.758142
  H      -4.832208      2.927688      5.782465
  H      -6.446352      5.518478      5.544588
  H      -6.957120      0.802388      3.000951
  H     -11.179473      2.601123      2.799739
  H     -12.284243      4.583334      3.856764
  H     -10.965780      6.111550      5.329814
  H      -8.561880      5.708371      5.735108
  H       0.773195      2.170190      3.320943
  H      -0.980185      1.972019      3.189429
  H       0.904240     -0.093597      4.480539
  H      -0.517550     -1.763336      3.756808
  H      -3.660619      1.578585      0.955247
  H      -6.145290     -2.219926      1.447583
  H      -5.792876     -4.402027      2.594165
  H      -3.702979     -4.793765      3.911342
  H      -1.958745     -3.074555      4.054705
  H      -3.275285     -0.995774      7.531080
  H      -3.944154      0.065593      6.265218
  H      -4.297614      1.058951      9.130930
  H      -6.606975      0.990071      8.820849
  H      -6.097393     -2.436112      4.744166
  H     -10.457948     -0.947061      4.515047
  H     -11.782414      0.840601      5.658538
  H     -10.707034      2.245370      7.392866
  H      -8.357324      1.858012      8.029117
  N      -3.124572      1.932660      4.879048
90
Coordinates from ORCA-job orca E -6199.513356812968
  N      -2.696928      4.141477      6.825581
  Mo     -2.057183      2.393311      6.076473
  N      -2.419569      0.945619      7.385976
  C      -1.572497      0.747942      8.557348
  C      -0.950620      2.067405      9.018620
  N      -0.419060      2.810338      7.873535
  C      -0.495779      4.270962      7.989043
  C      -1.938551      4.757771      7.918131
  C       0.857224      2.313396      7.352504
  C       0.963659      2.589386      5.850761
  N      -0.287938      2.283799      5.156372
  H      -1.907077      5.862357      7.799771
  H      -2.460321      4.577458      8.885209
  H       0.063094      4.692219      7.142312
  H      -0.015679      4.642637      8.913905
  H       1.786705      1.978367      5.446853
  H       1.256779      3.645439      5.674955
  H       0.876887      1.225866      7.516359
  H       1.721838      2.751817      7.891660
  H      -2.156575      0.330550      9.396587
  H      -0.787313      0.001473      8.331092
  H      -1.739550      2.684179      9.465814
  H      -0.181911      1.892202      9.793136
  C      -4.030116      4.747462      6.740251
  C      -5.034088      3.986156      5.943625
  C      -6.172109      4.480992      5.420745
  C      -7.088942      3.628454      4.664215
  N      -6.591117      2.501231      4.152122
  C      -7.410361      1.734506      3.407045
  N      -8.680515      1.961893      3.104051
  C      -9.234408      3.084083      3.653464
  C     -10.612723      3.351298      3.435215
  C     -11.216036      4.444935      4.022791
  C     -10.468003      5.314616      4.845024
  C      -9.120367      5.084898      5.061429
  C      -8.471816      3.971485      4.470716
  C      -0.134818      1.773554      3.763347
  C       0.074367      0.272043      3.842795
  C      -0.760601     -0.711835      3.433994
  C      -2.046685     -0.584145      2.727061
  N      -2.285938      0.508998      1.999124
  C      -3.490795      0.607670      1.412713
  N      -4.462691     -0.291836      1.392183
  C      -4.222854     -1.456761      2.064159
  C      -5.184240     -2.499510      2.015460
  C      -4.981423     -3.683016      2.692569
  C      -3.832377     -3.854450      3.470790
  C      -2.874701     -2.857457      3.530565
  C      -3.027008     -1.646596      2.806425
  C      -3.569383      0.047112      7.308529
  C      -4.646974      0.538964      8.235823
  C      -5.983442      0.501798      8.067067
  C      -6.696672     -0.147617      6.971592
  N      -6.055570     -1.093497      6.277948
  C      -6.738863     -1.728141      5.290843
  N      -7.999816     -1.577369      4.947091
  C      -8.681300     -0.611754      5.633500
  C     -10.030724     -0.377149      5.295324
  C     -10.730687      0.628706      5.929643
  C     -10.110008      1.438459      6.919229
  C      -8.800349      1.224430      7.278113
  C      -8.057737      0.184962      6.657145
  H      -3.958341      5.786651      6.370589
  H      -4.423426      4.834410      7.773899
  H      -4.837130      2.925449      5.782664
  H      -6.443693      5.529547      5.544002
  H      -6.954016      0.813799      3.008967
  H     -11.171909      2.652823      2.811717
  H     -12.280372      4.638646      3.859753
  H     -10.961864      6.166378      5.312249
  H      -8.555805      5.750896      5.707273
  H       0.742321      2.253457      3.243985
  H      -1.053714      2.023331      3.180758
  H       0.974873     -0.058563      4.405707
  H      -0.470804     -1.736956      3.717213
  H      -3.665764      1.547933      0.879813
  H      -6.072108     -2.330962      1.431519
  H      -5.723167     -4.484392      2.649538
  H      -3.696883     -4.785008      4.026169
  H      -1.998558     -3.010724      4.142370
  H      -3.281442     -1.001343      7.545485
  H      -3.943519      0.038448      6.274246
  H      -4.283752      1.077103      9.120412
  H      -6.596266      1.011887      8.815716
  H      -6.171768     -2.462153      4.722492
  H     -10.476059     -0.994320      4.506318
  H     -11.763043      0.818674      5.652053
  H     -10.669422      2.243178      7.394477
  H      -8.332038      1.869005      8.032934
  N      -3.108763      1.951100      4.887936
90
Coordinates from ORCA-job orca E -6199.515393607066
  N      -2.701191      4.125022      6.801355
  Mo     -2.055410      2.359450      6.086038
  N      -2.408141      0.942763      7.418106
  C      -1.565109      0.771208      8.600535
  C      -0.949656      2.099654      9.036895
  N      -0.419678      2.817626      7.874636
  C      -0.503066      4.281905      7.957291
  C      -1.949099      4.764637      7.873686
  C       0.860146      2.316902      7.357133
  C       0.963654      2.568573      5.851068
  N      -0.282510      2.252241      5.169070
  H      -1.926007      5.859401      7.729825
  H      -2.470190      4.607376      8.840386
  H       0.054864      4.684965      7.100389
  H      -0.025206      4.676732      8.876775
  H       1.789133      1.951844      5.451724
  H       1.247879      3.618116      5.656680
  H       0.887296      1.232567      7.534983
  H       1.722543      2.764583      7.886669
  H      -2.151662      0.369352      9.444042
  H      -0.773648      0.020740      8.393425
  H      -1.744699      2.724238      9.472582
  H      -0.179981      1.941667      9.818759
  C      -4.033061      4.735751      6.708544
  C      -5.039769      3.962329      5.926279
  C      -6.173929      4.456395      5.398905
  C      -7.090502      3.595028      4.654694
  N      -6.590849      2.471768      4.148533
  C      -7.407453      1.691922      3.417702
  N      -8.675889      1.905739      3.118619
  C      -9.229597      3.026224      3.659687
  C     -10.601827      3.292235      3.434626
  C     -11.201878      4.406226      3.995900
  C     -10.455800      5.302372      4.796498
  C      -9.114367      5.071931      5.022016
  C      -8.469617      3.933533      4.458921
  C      -0.104671      1.730028      3.807961
  C       0.080649      0.245600      3.869160
  C      -0.747046     -0.723685      3.425197
  C      -2.013988     -0.569679      2.706535
  N      -2.245872      0.545207      1.996950
  C      -3.462493      0.686000      1.418332
  N      -4.454376     -0.187561      1.393648
  C      -4.226144     -1.370357      2.047670
  C      -5.227857     -2.377400      2.005715
  C      -5.032004     -3.581151      2.659273
  C      -3.843444     -3.810306      3.403455
  C      -2.856784     -2.842821      3.465301
  C      -3.007744     -1.611465      2.769002
  C      -3.553201      0.038682      7.355668
  C      -4.639903      0.535159      8.254732
  C      -5.981698      0.476534      8.084708
  C      -6.705449     -0.199179      6.998410
  N      -6.078905     -1.154000      6.295024
  C      -6.776356     -1.778959      5.303628
  N      -8.038056     -1.600222      4.963012
  C      -8.704873     -0.629853      5.659693
  C     -10.054818     -0.360499      5.323251
  C     -10.739650      0.653815      5.966874
  C     -10.101348      1.436280      6.966266
  C      -8.791834      1.185900      7.323953
  C      -8.064818      0.143363      6.692147
  H      -3.957092      5.772943      6.319655
  H      -4.426648      4.842518      7.748089
  H      -4.845847      2.896135      5.782828
  H      -6.440914      5.513520      5.507892
  H      -6.947471      0.793070      3.017382
  H     -11.156136      2.590679      2.818360
  H     -12.260006      4.605144      3.823133
  H     -10.945527      6.186662      5.234207
  H      -8.549521      5.768843      5.646314
  H       0.768194      2.203365      3.339071
  H      -0.976572      1.961281      3.209718
  H       0.944845     -0.083797      4.444016
  H      -0.484759     -1.742708      3.689943
  H      -3.629497      1.640560      0.899724
  H      -6.147854     -2.163774      1.448533
  H      -5.804602     -4.355681      2.621037
  H      -3.710053     -4.757908      3.936430
  H      -1.956368     -3.036270      4.054985
  H      -3.262525     -0.976851      7.626292
  H      -3.915596     -0.008891      6.337310
  H      -4.280225      1.096525      9.129142
  H      -6.592864      0.998835      8.821879
  H      -6.218715     -2.518449      4.728094
  H     -10.512881     -0.953137      4.526016
  H     -11.773556      0.873137      5.691656
  H     -10.649503      2.254734      7.445580
  H      -8.310239      1.809894      8.085055
  N      -3.119799      1.879018      4.885094
90
Coordinates from ORCA-job orca E -6199.515189111412
  N      -2.704325      4.116551      6.797747
  Mo     -2.063832      2.349081      6.090257
  N      -2.414144      0.929327      7.419614
  C      -1.568801      0.755358      8.597868
  C      -0.950889      2.083146      9.036930
  N      -0.425415      2.806429      7.873384
  C      -0.506731      4.270286      7.956032
  C      -1.952320      4.754062      7.872463
  C       0.849673      2.301548      7.354245
  C       0.953516      2.561381      5.850236
  N      -0.297077      2.254471      5.168590
  H      -1.927450      5.850183      7.730171
  H      -2.473936      4.592526      8.838869
  H       0.051164      4.672999      7.097080
  H      -0.027277      4.665057      8.875982
  H       1.775687      1.940040      5.450117
  H       1.248504      3.610805      5.657798
  H       0.865998      1.216071      7.526477
  H       1.716878      2.741089      7.886706
  H      -2.155067      0.348875      9.440637
  H      -0.778156      0.007539      8.385695
  H      -1.742003      2.705155      9.478408
  H      -0.177259      1.923515      9.813325
  C      -4.032563      4.730352      6.696077
  C      -5.036604      3.953386      5.913761
  C      -6.170284      4.444396      5.381369
  C      -7.098820      3.572257      4.642301
  N      -6.616180      2.411461      4.150107
  C      -7.443365      1.622824      3.419503
  N      -8.706222      1.864017      3.101377
  C      -9.244704      3.013382      3.628912
  C     -10.612474      3.289784      3.391743
  C     -11.204415      4.383608      3.962813
  C     -10.454407      5.254380      4.785070
  C      -9.114966      5.031483      5.013458
  C      -8.476362      3.915552      4.439714
  C      -0.131979      1.748332      3.800947
  C       0.083864      0.264988      3.860369
  C      -0.729957     -0.716836      3.419865
  C      -1.996359     -0.566856      2.710653
  N      -2.221490      0.535732      2.000141
  C      -3.437345      0.682711      1.424622
  N      -4.428768     -0.176421      1.398696
  C      -4.206771     -1.347380      2.055415
  C      -5.211388     -2.338044      2.014191
  C      -5.023084     -3.531223      2.669901
  C      -3.836648     -3.766888      3.414007
  C      -2.846837     -2.815308      3.475333
  C      -2.990874     -1.594665      2.776300
  C      -3.558457      0.014651      7.348032
  C      -4.644095      0.488767      8.279881
  C      -5.982183      0.457411      8.107920
  C      -6.694476     -0.166350      7.005118
  N      -6.063184     -1.113228      6.309526
  C      -6.755567     -1.716159      5.321613
  N      -8.023739     -1.527064      4.983167
  C      -8.695250     -0.557937      5.672566
  C     -10.051475     -0.292005      5.347778
  C     -10.736296      0.706869      5.991858
  C     -10.094679      1.482194      6.978856
  C      -8.778924      1.230770      7.326042
  C      -8.053584      0.195918      6.696452
  H      -3.951800      5.766042      6.302200
  H      -4.431481      4.843587      7.732953
  H      -4.844359      2.884644      5.779120
  H      -6.431188      5.504883      5.485116
  H      -6.997587      0.684261      3.041269
  H     -11.173617      2.589249      2.768747
  H     -12.261773      4.576816      3.789369
  H     -10.941432      6.100013      5.241117
  H      -8.550675      5.701972      5.657904
  H       0.731176      2.238018      3.312349
  H      -1.022719      1.977339      3.216350
  H       0.966737     -0.056842      4.422204
  H      -0.442219     -1.742929      3.669122
  H      -3.601481      1.626871      0.907673
  H      -6.129299     -2.120372      1.456313
  H      -5.796843     -4.292801      2.631693
  H      -3.709970     -4.705349      3.948060
  H      -1.948162     -3.013134      4.065798
  H      -3.258804     -1.032742      7.587633
  H      -3.934262      0.000152      6.311219
  H      -4.286311      1.009948      9.170360
  H      -6.596781      0.958298      8.858386
  H      -6.191446     -2.473509      4.753528
  H     -10.512397     -0.885431      4.561409
  H     -11.775999      0.919502      5.727080
  H     -10.642346      2.288764      7.461155
  H      -8.294921      1.841704      8.080780
  N      -3.144561      1.858529      4.892988
90
Coordinates from ORCA-job orca E -6199.517023925651
  N      -2.716240      4.104539      6.816526
  Mo     -2.063859      2.347499      6.093705
  N      -2.401475      0.914541      7.420366
  C      -1.551263      0.745325      8.594647
  C      -0.941905      2.078339      9.036592
  N      -0.424595      2.810316      7.876616
  C      -0.516304      4.273515      7.970108
  C      -1.965121      4.743274      7.896023
  C       0.852747      2.312548      7.358685
  C       0.957028      2.571395      5.855948
  N      -0.295503      2.259792      5.170417
  H      -1.948994      5.843753      7.763093
  H      -2.482294      4.570633      8.865295
  H       0.035724      4.687554      7.114950
  H      -0.038603      4.665058      8.890483
  H       1.781824      1.954444      5.458439
  H       1.250166      3.623356      5.663964
  H       0.872998      1.227450      7.531004
  H       1.717981      2.755051      7.893399
  H      -2.131639      0.335680      9.440106
  H      -0.757517      0.002101      8.380029
  H      -1.734410      2.692761      9.483663
  H      -0.165267      1.921273      9.808026
  C      -4.046913      4.710051      6.719496
  C      -5.048930      3.939926      5.928972
  C      -6.183688      4.428802      5.397149
  C      -7.104487      3.566859      4.647415
  N      -6.613482      2.440261      4.138468
  C      -7.435774      1.669483      3.394497
  N      -8.702597      1.893353      3.085730
  C      -9.248036      3.016695      3.627469
  C     -10.618184      3.294011      3.391804
  C     -11.210177      4.408767      3.955562
  C     -10.458936      5.287293      4.773703
  C      -9.119818      5.043195      5.010509
  C      -8.481664      3.911691      4.442048
  C      -0.134610      1.758933      3.789944
  C       0.069440      0.273656      3.849803
  C      -0.748596     -0.704757      3.407152
  C      -2.012201     -0.561296      2.686762
  N      -2.230890      0.540046      1.961946
  C      -3.442330      0.671885      1.374877
  N      -4.437242     -0.200770      1.354784
  C      -4.219216     -1.372221      2.026880
  C      -5.219608     -2.380990      1.990409
  C      -5.040420     -3.569124      2.669310
  C      -3.874788     -3.779694      3.436395
  C      -2.883609     -2.813766      3.488157
  C      -3.013835     -1.599235      2.762910
  C      -3.548068      0.006539      7.364381
  C      -4.629091      0.501574      8.283927
  C      -5.964048      0.474352      8.108505
  C      -6.674610     -0.160997      7.013587
  N      -6.038281     -1.107517      6.328112
  C      -6.724745     -1.721617      5.347056
  N      -7.991395     -1.550008      5.005649
  C      -8.668705     -0.580795      5.684981
  C     -10.023517     -0.325390      5.353707
  C     -10.713833      0.685433      5.982578
  C     -10.080026      1.481145      6.959628
  C      -8.765639      1.241043      7.313248
  C      -8.033990      0.194283      6.698772
  H      -3.971243      5.744918      6.336249
  H      -4.443303      4.811968      7.752926
  H      -4.849844      2.878901      5.785836
  H      -6.450313      5.479380      5.509528
  H      -6.983131      0.755674      2.998041
  H     -11.179408      2.594701      2.767451
  H     -12.267749      4.617189      3.775304
  H     -10.944174      6.162049      5.218074
  H      -8.552809      5.721473      5.650243
  H       0.735631      2.239860      3.303336
  H      -1.025860      2.001309      3.199761
  H       0.947056     -0.050987      4.420897
  H      -0.472312     -1.726794      3.668925
  H      -3.607499      1.620304      0.847385
  H      -6.120917     -2.182809      1.415129
  H      -5.811536     -4.344455      2.634915
  H      -3.758238     -4.713510      3.991767
  H      -1.999087     -2.993049      4.094875
  H      -3.252699     -1.031571      7.624832
  H      -3.923658     -0.026998      6.332290
  H      -4.269166      1.034361      9.167453
  H      -6.577550      0.986017      8.851206
  H      -6.156986     -2.460278      4.783420
  H     -10.478399     -0.933040      4.574033
  H     -11.751525      0.890775      5.711422
  H     -10.632026      2.293907      7.430474
  H      -8.286764      1.871510      8.059266
  N      -3.132121      1.879741      4.902574
90
Coordinates from ORCA-job orca E -6199.516295829879
  N      -2.726521      4.082585      6.799344
  Mo     -2.069089      2.314387      6.102231
  N      -2.408403      0.903570      7.450733
  C      -1.566471      0.743527      8.633710
  C      -0.953140      2.073432      9.057172
  N      -0.436104      2.787745      7.889927
  C      -0.530612      4.251042      7.967082
  C      -1.981053      4.723177      7.877695
  C       0.841818      2.289335      7.371013
  C       0.947450      2.554554      5.868074
  N      -0.301798      2.246696      5.178093
  H      -1.965519      5.820629      7.736727
  H      -2.505580      4.557850      8.842675
  H       0.026819      4.655398      7.109771
  H      -0.059235      4.651397      8.887475
  H       1.771721      1.938788      5.466138
  H       1.237898      3.607913      5.682464
  H       0.863563      1.202031      7.537919
  H       1.705585      2.727547      7.907455
  H      -2.154002      0.350649      9.480327
  H      -0.776124     -0.008314      8.436421
  H      -1.746166      2.696454      9.495412
  H      -0.176508      1.921656      9.832161
  C      -4.051664      4.703226      6.681536
  C      -5.055507      3.933586      5.889648
  C      -6.179653      4.433091      5.344676
  C      -7.102169      3.578066      4.595073
  N      -6.611601      2.446437      4.089580
  C      -7.438506      1.673719      3.357695
  N      -8.709437      1.900392      3.061214
  C      -9.255510      3.029489      3.603952
  C     -10.634468      3.296666      3.393857
  C     -11.229692      4.396363      3.976715
  C     -10.471497      5.280521      4.780326
  C      -9.122640      5.053775      4.986825
  C      -8.483591      3.926500      4.404848
  C      -0.126236      1.769138      3.789940
  C       0.112275      0.278796      3.800920
  C      -0.698822     -0.697947      3.343521
  C      -1.986984     -0.547624      2.653277
  N      -2.222651      0.547084      1.935019
  C      -3.442778      0.671593      1.367127
  N      -4.434641     -0.199530      1.362037
  C      -4.203765     -1.360654      2.033539
  C      -5.199823     -2.368756      2.015136
  C      -4.997235     -3.551916      2.686290
  C      -3.808585     -3.758596      3.424691
  C      -2.824859     -2.791129      3.461221
  C      -2.982042     -1.582231      2.745115
  C      -3.551587     -0.003016      7.402786
  C      -4.627769      0.508428      8.309059
  C      -5.966824      0.480496      8.137858
  C      -6.699256     -0.173706      7.044147
  N      -6.083424     -1.148096      6.339261
  C      -6.782974     -1.764908      5.341687
  N      -8.038950     -1.560041      4.997314
  C      -8.695492     -0.568357      5.695637
  C     -10.037570     -0.275480      5.355138
  C     -10.713757      0.741791      6.006961
  C     -10.074055      1.502696      7.017293
  C      -8.770939      1.240116      7.375558
  C      -8.052350      0.194692      6.735223
  H      -3.959498      5.737063      6.287677
  H      -4.459808      4.819285      7.712284
  H      -4.867858      2.863312      5.760081
  H      -6.437319      5.491544      5.448009
  H      -6.988636      0.757970      2.961037
  H     -11.199582      2.595325      2.779638
  H     -12.294451      4.588302      3.821318
  H     -10.958161      6.143613      5.240631
  H      -8.549418      5.733840      5.617577
  H       0.730752      2.288422      3.315715
  H      -1.021035      2.001266      3.207784
  H       1.008019     -0.051766      4.348387
  H      -0.399030     -1.727370      3.570708
  H      -3.609021      1.607143      0.833357
  H      -6.118147     -2.173514      1.460958
  H      -5.764912     -4.328331      2.665361
  H      -3.670499     -4.689891      3.971877
  H      -1.920893     -2.965821      4.045643
  H      -3.257146     -1.021135      7.678119
  H      -3.921943     -0.056880      6.385122
  H      -4.258651      1.053134      9.191788
  H      -6.568144      1.009047      8.881198
  H      -6.232936     -2.521422      4.762754
  H     -10.497579     -0.857085      4.551191
  H     -11.741012      0.972617      5.730337
  H     -10.616433      2.309682      7.508048
  H      -8.288391      1.846351      8.145106
  N      -3.118461      1.820417      4.912555
90
Coordinates from ORCA-job orca E -6199.517580075096
  N      -2.734742      4.071080      6.808258
  Mo     -2.072518      2.306911      6.107087
  N      -2.397112      0.889951      7.450912
  C      -1.547274      0.740066      8.629361
  C      -0.943941      2.079200      9.054216
  N      -0.435750      2.800502      7.884156
  C      -0.538039      4.263374      7.963356
  C      -1.991903      4.721390      7.882864
  C       0.845166      2.309683      7.363804
  C       0.945265      2.563629      5.859776
  N      -0.301833      2.241643      5.182501
  H      -1.986931      5.818170      7.742167
  H      -2.509420      4.551437      8.851042
  H       0.011296      4.672118      7.103599
  H      -0.063468      4.667182      8.880709
  H       1.771326      1.949470      5.459584
  H       1.227507      3.613906      5.663222
  H       0.873590      1.224738      7.536053
  H       1.706407      2.756856      7.896697
  H      -2.127164      0.339815      9.478857
  H      -0.750199     -0.003677      8.426200
  H      -1.739862      2.694008      9.499315
  H      -0.161839      1.934341      9.825122
  C      -4.062952      4.682052      6.691082
  C      -5.056772      3.905497      5.897690
  C      -6.182149      4.398887      5.349665
  C      -7.101648      3.541944      4.598742
  N      -6.615386      2.398685      4.102147
  C      -7.442251      1.621447      3.370937
  N      -8.707567      1.854297      3.064572
  C      -9.247822      2.992882      3.594962
  C     -10.618471      3.268131      3.367602
  C     -11.208791      4.377510      3.931169
  C     -10.453597      5.262553      4.734344
  C      -9.112594      5.029796      4.958105
  C      -8.477517      3.894966      4.394396
  C      -0.130946      1.761437      3.802055
  C       0.097464      0.277991      3.825409
  C      -0.715913     -0.695311      3.363651
  C      -1.992943     -0.534220      2.660589
  N      -2.210816      0.568707      1.938380
  C      -3.424110      0.711518      1.357002
  N      -4.422812     -0.148748      1.342706
  C      -4.211565     -1.316202      2.019169
  C      -5.222329     -2.308604      1.995851
  C      -5.041800     -3.496271      2.673221
  C      -3.860156     -3.723945      3.422136
  C      -2.863407     -2.771323      3.464895
  C      -2.998987     -1.557733      2.743694
  C      -3.533783     -0.030384      7.402268
  C      -4.614269      0.466621      8.325877
  C      -5.956027      0.446374      8.157387
  C      -6.686565     -0.184144      7.059191
  N      -6.074576     -1.135878      6.355293
  C      -6.780842     -1.735067      5.363493
  N      -8.040305     -1.542404      5.026064
  C      -8.691488     -0.569303      5.721641
  C     -10.037033     -0.282084      5.388723
  C     -10.702312      0.750657      6.024984
  C     -10.048686      1.535160      7.012786
  C      -8.743862      1.257638      7.371431
  C      -8.037925      0.191685      6.748556
  H      -3.979716      5.715677      6.297814
  H      -4.472109      4.794550      7.721803
  H      -4.860339      2.838451      5.771152
  H      -6.442737      5.457379      5.451030
  H      -6.996030      0.703152      2.978418
  H     -11.181424      2.565772      2.753894
  H     -12.267131      4.576164      3.761950
  H     -10.937019      6.132004      5.179257
  H      -8.542818      5.713420      5.587473
  H       0.727644      2.271007      3.325622
  H      -1.023372      1.993893      3.219233
  H       0.980498     -0.047647      4.382426
  H      -0.429219     -1.721870      3.592773
  H      -3.577744      1.652800      0.822136
  H      -6.136209     -2.097440      1.433879
  H      -5.820723     -4.260031      2.648701
  H      -3.740562     -4.658227      3.973797
  H      -1.967287     -2.960122      4.058976
  H      -3.227774     -1.063095      7.670627
  H      -3.908613     -0.077328      6.373080
  H      -4.246608      0.993553      9.214601
  H      -6.560463      0.962140      8.908548
  H      -6.233078     -2.477169      4.786791
  H     -10.506177     -0.872860      4.597528
  H     -11.731947      0.989418      5.749172
  H     -10.580407      2.377854      7.483431
  H      -8.248572      1.884922      8.122870
  N      -3.133808      1.814866      4.908273
90
Coordinates from ORCA-job orca E -6199.515700111177
  N      -2.742492      4.053780      6.816634
  Mo     -2.078376      2.292405      6.117310
  N      -2.387468      0.869884      7.459829
  C      -1.531170      0.722690      8.633016
  C      -0.931414      2.067240      9.057487
  N      -0.435141      2.795239      7.883999
  C      -0.543191      4.258399      7.961767
  C      -1.997554      4.708491      7.889782
  C       0.841499      2.302908      7.359814
  C       0.937478      2.559293      5.857285
  N      -0.317206      2.244519      5.181196
  H      -1.996599      5.807938      7.750425
  H      -2.508789      4.534543      8.860621
  H      -0.000997      4.670691      7.099306
  H      -0.066243      4.665289      8.875646
  H       1.760729      1.941672      5.457352
  H       1.229308      3.610154      5.659565
  H       0.863792      1.217895      7.531045
  H       1.708338      2.746716      7.891377
  H      -2.105296      0.316912      9.484682
  H      -0.732728     -0.017003      8.424505
  H      -1.723803      2.676734      9.510374
  H      -0.143663      1.925113      9.820588
  C      -4.070246      4.662386      6.702498
  C      -5.069350      3.890186      5.910183
  C      -6.194989      4.381516      5.362706
  C      -7.119638      3.518839      4.614822
  N      -6.637196      2.380441      4.112191
  C      -7.463986      1.609070      3.370667
  N      -8.727070      1.843448      3.058445
  C      -9.262671      2.977684      3.591397
  C     -10.626652      3.267697      3.346855
  C     -11.208388      4.395773      3.894004
  C     -10.453832      5.270274      4.708641
  C      -9.121123      5.013480      4.955978
  C      -8.491748      3.873551      4.401254
  C      -0.162337      1.778486      3.792017
  C       0.074067      0.303774      3.819398
  C      -0.726670     -0.677891      3.355707
  C      -1.984655     -0.530554      2.640203
  N      -2.197435      0.570644      1.906868
  C      -3.408048      0.711104      1.319573
  N      -4.406052     -0.153332      1.309609
  C      -4.196247     -1.321724      1.997228
  C      -5.210025     -2.315811      1.983675
  C      -5.045040     -3.494795      2.685614
  C      -3.879964     -3.710907      3.453034
  C      -2.875212     -2.759817      3.482202
  C      -2.992291     -1.555889      2.733119
  C      -3.533211     -0.042816      7.427919
  C      -4.612815      0.463266      8.336799
  C      -5.943837      0.461663      8.148488
  C      -6.658014     -0.149449      7.045032
  N      -6.040523     -1.120101      6.363330
  C      -6.737015     -1.711447      5.377992
  N      -8.002448     -1.492095      5.032615
  C      -8.661185     -0.501698      5.711019
  C     -10.014446     -0.221092      5.386421
  C     -10.687015      0.766273      6.032834
  C     -10.036677      1.522115      7.019028
  C      -8.722513      1.267033      7.361716
  C      -8.010286      0.238633      6.731108
  H      -3.985458      5.693403      6.310267
  H      -4.475878      4.776651      7.731920
  H      -4.874013      2.826281      5.783921
  H      -6.452146      5.437649      5.462652
  H      -7.018900      0.688036      2.978366
  H     -11.191020      2.568989      2.726556
  H     -12.260890      4.616389      3.705092
  H     -10.931648      6.154194      5.139884
  H      -8.552620      5.691464      5.592012
  H       0.689100      2.287529      3.307646
  H      -1.062946      2.013146      3.215788
  H       0.957696     -0.012067      4.376924
  H      -0.435616     -1.701439      3.584913
  H      -3.571444      1.660256      0.784407
  H      -6.113472     -2.112716      1.409688
  H      -5.828293     -4.257400      2.669977
  H      -3.777241     -4.635460      4.028024
  H      -1.993671     -2.938804      4.092172
  H      -3.233401     -1.068852      7.713100
  H      -3.911241     -0.101764      6.400537
  H      -4.253529      0.986487      9.223600
  H      -6.551457      0.983105      8.885598
  H      -6.181868     -2.492067      4.820644
  H     -10.482942     -0.809777      4.603599
  H     -11.724902      0.979766      5.772017
  H     -10.575468      2.303763      7.509041
  H      -8.231626      1.855899      8.118398
  N      -3.156031      1.799764      4.933440
90
Coordinates from ORCA-job orca E -6199.518360111289
  N      -2.745908      4.049798      6.814343
  Mo     -2.077371      2.285692      6.121177
  N      -2.388406      0.871908      7.473660
  C      -1.535626      0.732496      8.651121
  C      -0.936573      2.075750      9.067080
  N      -0.437583      2.795063      7.891992
  C      -0.547398      4.257595      7.964886
  C      -2.003117      4.707150      7.885411
  C       0.841006      2.302342      7.372448
  C       0.940022      2.553797      5.869056
  N      -0.312853      2.233910      5.190392
  H      -2.003982      5.804995      7.740866
  H      -2.517123      4.537363      8.855427
  H      -0.001715      4.666806      7.102901
  H      -0.074897      4.667101      8.880229
  H       1.765729      1.936067      5.472099
  H       1.229077      3.605934      5.668948
  H       0.865989      1.217190      7.547300
  H       1.704980      2.748479      7.904116
  H      -2.112450      0.334928      9.504404
  H      -0.736493     -0.009302      8.451292
  H      -1.731467      2.688655      9.513988
  H      -0.150087      1.936836      9.833543
  C      -4.071617      4.662788      6.691869
  C      -5.068719      3.887509      5.897691
  C      -6.191744      4.379934      5.345055
  C      -7.113981      3.521299      4.592499
  N      -6.629590      2.382811      4.091434
  C      -7.456862      1.613042      3.350616
  N      -8.722061      1.847795      3.040342
  C      -9.260705      2.982600      3.574707
  C     -10.630617      3.264475      3.341538
  C     -11.218175      4.374652      3.906882
  C     -10.461508      5.250811      4.719663
  C      -9.121636      5.008919      4.950453
  C      -8.488897      3.876475      4.383770
  C      -0.148874      1.770747      3.799254
  C       0.088107      0.288233      3.807128
  C      -0.715122     -0.686701      3.333242
  C      -1.985911     -0.528136      2.626497
  N      -2.196490      0.569871      1.898171
  C      -3.409196      0.710604      1.313256
  N      -4.412314     -0.147953      1.302257
  C      -4.206688     -1.310910      1.987763
  C      -5.222753     -2.301031      1.972464
  C      -5.052887     -3.480305      2.665102
  C      -3.878638     -3.701215      3.422412
  C      -2.873739     -2.752487      3.454581
  C      -2.997465     -1.548082      2.716842
  C      -3.529129     -0.044279      7.444365
  C      -4.607421      0.471543      8.349125
  C      -5.942661      0.463782      8.167853
  C      -6.666509     -0.165025      7.070900
  N      -6.051939     -1.127929      6.378893
  C      -6.752114     -1.726660      5.390791
  N      -8.012852     -1.522672      5.049065
  C      -8.667840     -0.538173      5.735364
  C     -10.015070     -0.247910      5.403496
  C     -10.682885      0.778506      6.039359
  C     -10.031663      1.553214      7.024670
  C      -8.724579      1.280580      7.378558
  C      -8.016507      0.219666      6.756624
  H      -3.982176      5.693725      6.295106
  H      -4.482286      4.781889      7.720195
  H      -4.872593      2.820868      5.776020
  H      -6.448133      5.437603      5.444122
  H      -7.012664      0.686423      2.961224
  H     -11.195398      2.566983      2.720998
  H     -12.276175      4.581028      3.732051
  H     -10.943122      6.120074      5.165953
  H      -8.551049      5.685079      5.587090
  H       0.706355      2.287194      3.324521
  H      -1.043806      2.010549      3.220176
  H       0.977141     -0.039362      4.359935
  H      -0.420652     -1.716646      3.550849
  H      -3.563331      1.651768      0.775325
  H      -6.129791     -2.095779      1.403548
  H      -5.836048     -4.241975      2.646872
  H      -3.769087     -4.628083      3.987372
  H      -1.982693     -2.935210      4.055300
  H      -3.227395     -1.063813      7.738167
  H      -3.903864     -0.115466      6.421113
  H      -4.242745      1.002803      9.234084
  H      -6.547010      0.990405      8.907214
  H      -6.199937     -2.472965      4.819425
  H     -10.482985     -0.839021      4.617227
  H     -11.714490      1.010579      5.768100
  H     -10.566362      2.377064      7.501221
  H      -8.231544      1.895510      8.129962
  N      -3.141356      1.789674      4.931582
90
Coordinates from ORCA-job orca E -6199.517623728231
  N      -2.769138      4.017640      6.816469
  Mo     -2.087337      2.258582      6.123894
  N      -2.382167      0.841655      7.469814
  C      -1.524336      0.710044      8.645674
  C      -0.935024      2.060760      9.063257
  N      -0.447745      2.790179      7.888558
  C      -0.572374      4.250806      7.967722
  C      -2.034518      4.682545      7.889978
  C       0.836986      2.321180      7.359637
  C       0.924845      2.576917      5.855919
  N      -0.318655      2.235991      5.189087
  H      -2.049245      5.778849      7.748064
  H      -2.547467      4.504116      8.860053
  H      -0.032270      4.667461      7.105641
  H      -0.101598      4.664474      8.882864
  H       1.753169      1.973696      5.450207
  H       1.191260      3.627487      5.657688
  H       0.881365      1.237055      7.527219
  H       1.693166      2.779197      7.890221
  H      -2.094958      0.306776      9.500358
  H      -0.720574     -0.025118      8.442006
  H      -1.734338      2.663277      9.518075
  H      -0.143072      1.928359      9.826116
  C      -4.096266      4.628572      6.685842
  C      -5.082981      3.853334      5.884666
  C      -6.199891      4.351785      5.324127
  C      -7.118384      3.502543      4.568807
  N      -6.636790      2.359585      4.080345
  C      -7.464631      1.587864      3.348711
  N      -8.726484      1.824913      3.036898
  C      -9.261452      2.966420      3.556923
  C     -10.627601      3.251544      3.319742
  C     -11.209640      4.383275      3.860535
  C     -10.449976      5.278466      4.651149
  C      -9.114401      5.027811      4.889624
  C      -8.488181      3.870250      4.349596
  C      -0.142416      1.785937      3.803584
  C       0.116657      0.305115      3.799074
  C      -0.684144     -0.671378      3.321307
  C      -1.966452     -0.506488      2.624458
  N      -2.172123      0.588126      1.886729
  C      -3.379286      0.727511      1.296625
  N      -4.383097     -0.126234      1.291475
  C      -4.188695     -1.280033      1.993405
  C      -5.207345     -2.263017      1.988230
  C      -5.038337     -3.438088      2.690357
  C      -3.860745     -3.662167      3.445531
  C      -2.857572     -2.717934      3.471397
  C      -2.981798     -1.518579      2.725090
  C      -3.511594     -0.092162      7.429786
  C      -4.586709      0.410424      8.365818
  C      -5.930549      0.420111      8.199392
  C      -6.678379     -0.184462      7.095867
  N      -6.095465     -1.162584      6.389475
  C      -6.822424     -1.747702      5.398869
  N      -8.079404     -1.517734      5.067385
  C      -8.701763     -0.519616      5.766697
  C     -10.044200     -0.202936      5.444654
  C     -10.683010      0.827401      6.096768
  C     -10.003822      1.586190      7.086441
  C      -8.700314      1.290267      7.429879
  C      -8.022440      0.223438      6.792814
  H      -4.007105      5.660321      6.290556
  H      -4.515102      4.744968      7.711431
  H      -4.885608      2.786326      5.768323
  H      -6.453921      5.412090      5.419428
  H      -7.021869      0.679038      2.956079
  H     -11.193039      2.546125      2.712419
  H     -12.263677      4.595542      3.680387
  H     -10.925611      6.172755      5.073523
  H      -8.541351      5.721134      5.508682
  H       0.705446      2.326363      3.331155
  H      -1.042462      2.012783      3.230551
  H       1.006034     -0.012979      4.348760
  H      -0.388153     -1.697891      3.529753
  H      -3.516777      1.655333      0.741111
  H      -6.116798     -2.055806      1.419849
  H      -5.821908     -4.195481      2.678996
  H      -3.750256     -4.586552      4.015842
  H      -1.963492     -2.900798      4.070512
  H      -3.194331     -1.131598      7.706409
  H      -3.893254     -0.147152      6.393458
  H      -4.209805      0.917140      9.263621
  H      -6.524187      0.940654      8.960080
  H      -6.298330     -2.530315      4.824115
  H     -10.533145     -0.779400      4.653709
  H     -11.711374      1.079928      5.833774
  H     -10.515144      2.417987      7.573061
  H      -8.184170      1.895745      8.183024
  N      -3.143175      1.753879      4.930777
90
Coordinates from ORCA-job orca E -6199.518869455171
  N      -2.766528      4.013035      6.821869
  Mo     -2.084732      2.250306      6.137834
  N      -2.374274      0.840014      7.500402
  C      -1.516363      0.718788      8.676549
  C      -0.929253      2.070999      9.082536
  N      -0.444589      2.789551      7.900593
  C      -0.569115      4.250957      7.967777
  C      -2.030729      4.682539      7.889749
  C       0.838375      2.307945      7.378216
  C       0.930918      2.553486      5.873559
  N      -0.319419      2.219960      5.203896
  H      -2.046611      5.778645      7.741754
  H      -2.540654      4.509356      8.861004
  H      -0.030198      4.662026      7.102546
  H      -0.098616      4.669281      8.880157
  H       1.758775      1.939862      5.475198
  H       1.209080      3.605019      5.667016
  H       0.873979      1.223604      7.555115
  H       1.698223      2.762668      7.907500
  H      -2.086668      0.322731      9.534375
  H      -0.710747     -0.017317      8.480872
  H      -1.728049      2.677496      9.533027
  H      -0.135384      1.944465      9.844442
  C      -4.092267      4.623606      6.684773
  C      -5.078848      3.843041      5.884767
  C      -6.194938      4.335078      5.318162
  C      -7.111726      3.478783      4.562222
  N      -6.628671      2.330843      4.076552
  C      -7.454422      1.556564      3.340615
  N      -8.715672      1.796008      3.022029
  C      -9.252337      2.941677      3.539311
  C     -10.618751      3.227381      3.296712
  C     -11.204202      4.350129      3.842783
  C     -10.448373      5.235426      4.644350
  C      -9.112087      4.989354      4.885013
  C      -8.481968      3.842814      4.339173
  C      -0.159116      1.781491      3.804256
  C       0.089502      0.303257      3.784831
  C      -0.712735     -0.664315      3.295030
  C      -1.988948     -0.491314      2.595852
  N      -2.190116      0.607756      1.863716
  C      -3.400609      0.757405      1.276457
  N      -4.410016     -0.091436      1.269791
  C      -4.217347     -1.251207      1.965880
  C      -5.244549     -2.227817      1.963102
  C      -5.084949     -3.403463      2.665986
  C      -3.909682     -3.634268      3.420160
  C      -2.895684     -2.697828      3.441612
  C      -3.010051     -1.498102      2.694395
  C      -3.506648     -0.086106      7.482188
  C      -4.582851      0.435372      8.391185
  C      -5.920972      0.443325      8.211087
  C      -6.657443     -0.174459      7.112410
  N      -6.064245     -1.151580      6.419823
  C      -6.778848     -1.740773      5.431262
  N      -8.034418     -1.516830      5.090153
  C      -8.667280     -0.518565      5.775876
  C     -10.008306     -0.207567      5.444316
  C     -10.655332      0.828971      6.080573
  C      -9.986985      1.598482      7.064033
  C      -8.685431      1.305987      7.417556
  C      -7.999508      0.231965      6.796907
  H      -4.001404      5.653131      6.284164
  H      -4.513030      4.745815      7.708914
  H      -4.881016      2.775275      5.773160
  H      -6.449500      5.394919      5.408888
  H      -7.011313      0.634563      2.955669
  H     -11.182512      2.523821      2.684018
  H     -12.259324      4.558878      3.661154
  H     -10.927814      6.115309      5.074688
  H      -8.542731      5.672957      5.513461
  H       0.687655      2.312426      3.332731
  H      -1.060348      2.023546      3.233347
  H       0.978260     -0.025453      4.331454
  H      -0.418168     -1.694991      3.491508
  H      -3.544217      1.696336      0.730576
  H      -6.153737     -2.014545      1.396974
  H      -5.877343     -4.154764      2.657981
  H      -3.808956     -4.557697      3.993057
  H      -2.004804     -2.884709      4.041243
  H      -3.194662     -1.103024      7.786836
  H      -3.884134     -0.170792      6.459330
  H      -4.211443      0.958687      9.279742
  H      -6.518239      0.975262      8.953957
  H      -6.244145     -2.511104      4.864185
  H     -10.488957     -0.792328      4.658042
  H     -11.682437      1.077707      5.809722
  H     -10.504854      2.435139      7.538369
  H      -8.177868      1.918151      8.166148
  N      -3.142244      1.744823      4.945770
90
Coordinates from ORCA-job orca E -6199.518955879462
  N      -2.788844      3.972480      6.807376
  Mo     -2.096977      2.205016      6.148975
  N      -2.369156      0.808304      7.523278
  C      -1.509980      0.693244      8.699136
  C      -0.926184      2.049554      9.094461
  N      -0.455506      2.765421      7.906497
  C      -0.593220      4.226381      7.962753
  C      -2.058269      4.648581      7.877656
  C       0.824729      2.291328      7.376265
  C       0.909795      2.545057      5.872374
  N      -0.342431      2.214481      5.201111
  H      -2.078820      5.745529      7.726001
  H      -2.572239      4.474651      8.847781
  H      -0.056376      4.636187      7.094694
  H      -0.127978      4.656486      8.873321
  H       1.735512      1.933718      5.469277
  H       1.188919      3.597582      5.670837
  H       0.864632      1.206516      7.547228
  H       1.686785      2.746685      7.902679
  H      -2.078310      0.298695      9.558995
  H      -0.704803     -0.042174      8.505416
  H      -1.723394      2.653558      9.547563
  H      -0.127647      1.930741      9.850879
  C      -4.111303      4.587897      6.660446
  C      -5.102533      3.812157      5.860051
  C      -6.211483      4.312029      5.285629
  C      -7.139261      3.459921      4.531222
  N      -6.666067      2.318251      4.032384
  C      -7.502026      1.555954      3.292221
  N      -8.765929      1.798691      2.984189
  C      -9.292855      2.938300      3.515572
  C     -10.661255      3.230333      3.284905
  C     -11.235709      4.353116      3.842738
  C     -10.466862      5.229627      4.646095
  C      -9.129093      4.972998      4.877505
  C      -8.509897      3.828819      4.318570
  C      -0.170440      1.801432      3.801182
  C       0.120303      0.328030      3.754438
  C      -0.663628     -0.649006      3.254854
  C      -1.943810     -0.481629      2.567368
  N      -2.145761      0.610152      1.827064
  C      -3.358304      0.754874      1.244736
  N      -4.370194     -0.092578      1.251100
  C      -4.178578     -1.243535      1.960622
  C      -5.209324     -2.217614      1.975362
  C      -5.053814     -3.381898      2.696252
  C      -3.879370     -3.603489      3.451713
  C      -2.858742     -2.671322      3.453124
  C      -2.968755     -1.483882      2.686183
  C      -3.503901     -0.119421      7.514991
  C      -4.575873      0.408973      8.423248
  C      -5.910222      0.436180      8.238368
  C      -6.648407     -0.163116      7.133319
  N      -6.060702     -1.137448      6.435374
  C      -6.777425     -1.712112      5.443066
  N      -8.032810     -1.472741      5.104005
  C      -8.660246     -0.474480      5.796069
  C      -9.999611     -0.143386      5.465794
  C     -10.637404      0.903286      6.103387
  C      -9.963412      1.654888      7.089803
  C      -8.663950      1.340684      7.443355
  C      -7.986662      0.261683      6.818983
  H      -4.009739      5.613906      6.254668
  H      -4.535149      4.720203      7.681156
  H      -4.911622      2.742310      5.758622
  H      -6.455699      5.373145      5.373172
  H      -7.069103      0.619756      2.907140
  H     -11.235171      2.533525      2.670199
  H     -12.292287      4.570757      3.668193
  H     -10.937359      6.112627      5.083849
  H      -8.549414      5.650266      5.507032
  H       0.660552      2.372336      3.340251
  H      -1.075144      2.025409      3.239122
  H       1.028366      0.008912      4.283531
  H      -0.343535     -1.682801      3.426075
  H      -3.499321      1.685466      0.688498
  H      -6.115877     -2.012447      1.407511
  H      -5.848988     -4.130923      2.701693
  H      -3.782307     -4.517346      4.039725
  H      -1.966942     -2.851015      4.053186
  H      -3.192012     -1.133982      7.827879
  H      -3.884833     -0.210902      6.493087
  H      -4.203957      0.919443      9.317139
  H      -6.504214      0.968970      8.983826
  H      -6.245485     -2.461780      4.863163
  H     -10.484719     -0.717892      4.677620
  H     -11.662617      1.168664      5.832567
  H     -10.474419      2.491479      7.568310
  H      -8.153100      1.937251      8.194854
  N      -3.159522      1.667861      4.974072
90
Coordinates from ORCA-job orca E -6199.519617234137
  N      -2.802217      3.944766      6.830322
  Mo     -2.092722      2.184810      6.166839
  N      -2.347885      0.789420      7.551205
  C      -1.479333      0.701735      8.722217
  C      -0.911441      2.068341      9.105326
  N      -0.450819      2.784360      7.912216
  C      -0.605018      4.242996      7.965751
  C      -2.075165      4.641327      7.887652
  C       0.835966      2.317540      7.390190
  C       0.918140      2.543391      5.884427
  N      -0.332901      2.184185      5.227011
  H      -2.115330      5.736480      7.726219
  H      -2.577255      4.468425      8.863753
  H      -0.076932      4.657910      7.095794
  H      -0.143019      4.679550      8.873781
  H       1.752134      1.933471      5.491841
  H       1.184608      3.596640      5.659972
  H       0.887383      1.235961      7.580348
  H       1.691332      2.790789      7.910329
  H      -2.036893      0.309468      9.590664
  H      -0.663880     -0.024036      8.532082
  H      -1.714442      2.665256      9.559612
  H      -0.106855      1.962664      9.858715
  C      -4.126113      4.550936      6.674049
  C      -5.104632      3.765730      5.866028
  C      -6.212436      4.254482      5.281582
  C      -7.125644      3.399403      4.515923
  N      -6.642743      2.255884      4.028325
  C      -7.466982      1.491187      3.279484
  N      -8.727845      1.730753      2.956614
  C      -9.264518      2.871728      3.476327
  C     -10.631290      3.158021      3.230643
  C     -11.215359      4.279124      3.777337
  C     -10.457936      5.161878      4.582601
  C      -9.122018      4.912115      4.828551
  C      -8.493757      3.766803      4.283392
  C      -0.174046      1.778315      3.821035
  C       0.091388      0.303504      3.762107
  C      -0.704471     -0.652791      3.242643
  C      -1.980002     -0.453288      2.547926
  N      -2.152361      0.646598      1.814431
  C      -3.358320      0.816954      1.219174
  N      -4.388760     -0.008932      1.213331
  C      -4.226746     -1.164885      1.921987
  C      -5.279438     -2.114658      1.932205
  C      -5.149867     -3.283795      2.650488
  C      -3.980199     -3.535171      3.406035
  C      -2.939436     -2.626304      3.412896
  C      -3.024932     -1.434225      2.651758
  C      -3.474996     -0.146130      7.567520
  C      -4.548324      0.402932      8.460807
  C      -5.881933      0.444904      8.268414
  C      -6.626133     -0.155388      7.167270
  N      -6.051312     -1.146786      6.479116
  C      -6.773439     -1.719508      5.489966
  N      -8.023723     -1.465731      5.146064
  C      -8.638447     -0.451748      5.828190
  C      -9.972167     -0.109254      5.493575
  C     -10.598983      0.945582      6.123988
  C      -9.918228      1.697712      7.106038
  C      -8.623507      1.375312      7.462667
  C      -7.957946      0.284519      6.846976
  H      -4.028861      5.576528      6.266695
  H      -4.557947      4.682263      7.691538
  H      -4.900889      2.698603      5.769264
  H      -6.463195      5.314277      5.366554
  H      -7.026709      0.557636      2.900060
  H     -11.196440      2.456091      2.614856
  H     -12.270920      4.490276      3.592360
  H     -10.935802      6.043040      5.011349
  H      -8.551720      5.593096      5.460646
  H       0.667320      2.332917      3.363218
  H      -1.075095      2.027503      3.256285
  H       0.989626     -0.033335      4.297409
  H      -0.405902     -1.691699      3.403029
  H      -3.477424      1.752627      0.664985
  H      -6.179402     -1.888663      1.361674
  H      -5.960788     -4.014841      2.651555
  H      -3.903268     -4.453271      3.990178
  H      -2.049962     -2.825715      4.012518
  H      -3.154585     -1.146788      7.914364
  H      -3.855131     -0.274591      6.549736
  H      -4.173902      0.918009      9.352266
  H      -6.470631      0.993341      9.005714
  H      -6.250343     -2.486689      4.919576
  H     -10.462348     -0.684196      4.708619
  H     -11.619783      1.218868      5.850118
  H     -10.420561      2.542164      7.578420
  H      -8.106974      1.974957      8.209702
  N      -3.146906      1.658201      4.979557
90
Coordinates from ORCA-job orca E -6199.519683887584
  N      -2.825429      3.892249      6.838548
  Mo     -2.105057      2.131389      6.199853
  N      -2.328868      0.745696      7.602256
  C      -1.455057      0.677395      8.772308
  C      -0.899430      2.052849      9.139065
  N      -0.459415      2.761826      7.933328
  C      -0.629263      4.217478      7.969703
  C      -2.103759      4.600795      7.890601
  C       0.827474      2.303051      7.403087
  C       0.897557      2.534106      5.895727
  N      -0.357639      2.171256      5.243779
  H      -2.157628      5.692695      7.720416
  H      -2.600911      4.428148      8.866341
  H      -0.109705      4.628224      7.092415
  H      -0.169393      4.667712      8.870168
  H       1.729642      1.927813      5.495829
  H       1.158210      3.589711      5.670971
  H       0.886455      1.220260      7.591942
  H       1.683770      2.780427      7.918635
  H      -2.005223      0.287343      9.646214
  H      -0.632862     -0.042021      8.587561
  H      -1.706189      2.644277      9.595478
  H      -0.085273      1.963352      9.885827
  C      -4.146270      4.502182      6.662356
  C      -5.119229      3.713352      5.849440
  C      -6.213655      4.207425      5.245044
  C      -7.124869      3.351957      4.481466
  N      -6.646920      2.188687      4.022827
  C      -7.468894      1.412377      3.283635
  N      -8.721902      1.662937      2.942428
  C      -9.254143      2.824180      3.433839
  C     -10.614865      3.120874      3.171647
  C     -11.194787      4.260944      3.690663
  C     -10.439049      5.150960      4.484409
  C      -9.108968      4.894690      4.745405
  C      -8.485314      3.730957      4.228498
  C      -0.218588      1.819721      3.811985
  C       0.076646      0.355058      3.700197
  C      -0.706995     -0.599175      3.159390
  C      -1.984457     -0.399613      2.478409
  N      -2.160663      0.693589      1.730927
  C      -3.368130      0.860104      1.143642
  N      -4.400583      0.040494      1.165404
  C      -4.239702     -1.102120      1.900103
  C      -5.304066     -2.035748      1.958122
  C      -5.171931     -3.190798      2.702459
  C      -3.988824     -3.442518      3.437744
  C      -2.941739     -2.545661      3.403057
  C      -3.031229     -1.369493      2.615662
  C      -3.449949     -0.198863      7.630799
  C      -4.523681      0.356788      8.517456
  C      -5.860417      0.409490      8.320858
  C      -6.615673     -0.180967      7.216297
  N      -6.065456     -1.182670      6.525637
  C      -6.799461     -1.733856      5.529167
  N      -8.040335     -1.452985      5.182695
  C      -8.629381     -0.427965      5.866190
  C      -9.950757     -0.053295      5.525523
  C     -10.551502      1.015607      6.154946
  C      -9.854196      1.752995      7.141101
  C      -8.571885      1.394765      7.505923
  C      -7.933837      0.288189      6.891665
  H      -4.038116      5.524535      6.246144
  H      -4.591446      4.645279      7.673877
  H      -4.923798      2.641019      5.766228
  H      -6.452347      5.274827      5.311507
  H      -7.028273      0.494267      2.911312
  H     -11.178721      2.412618      2.566335
  H     -12.245522      4.477570      3.494232
  H     -10.913596      6.042963      4.892857
  H      -8.540789      5.581329      5.369421
  H       0.599401      2.406640      3.352319
  H      -1.143004      2.071630      3.270606
  H       0.972914      0.024943      4.223274
  H      -0.401480     -1.634315      3.290343
  H      -3.488439      1.788663      0.571291
  H      -6.220161     -1.806521      1.405422
  H      -5.994530     -3.908235      2.741832
  H      -3.911717     -4.347221      4.044336
  H      -2.045241     -2.738492      3.991429
  H      -3.122380     -1.188620      7.995673
  H      -3.830431     -0.346976      6.617144
  H      -4.145168      0.868027      9.411211
  H      -6.443556      0.964625      9.056241
  H      -6.299380     -2.536855      4.963466
  H     -10.451772     -0.611480      4.734758
  H     -11.561213      1.319104      5.873451
  H     -10.333523      2.622713      7.607509
  H      -8.042222      1.985013      8.255586
  N      -3.150533      1.576163      5.021110
90
Coordinates from ORCA-job orca E -6199.520492499005
  N      -2.848624      3.845313      6.844416
  Mo     -2.104971      2.090405      6.212668
  N      -2.309876      0.713790      7.627454
  C      -1.429919      0.667551      8.793654
  C      -0.890808      2.053472      9.149981
  N      -0.463461      2.762051      7.938921
  C      -0.655245      4.215985      7.970350
  C      -2.136523      4.573686      7.891279
  C       0.829395      2.318462      7.409803
  C       0.893965      2.529935      5.900443
  N      -0.355900      2.142386      5.258146
  H      -2.208249      5.663421      7.713497
  H      -2.630556      4.400247      8.870878
  H      -0.141711      4.631213      7.091468
  H      -0.202561      4.678506      8.870288
  H       1.733081      1.930051      5.505270
  H       1.138037      3.583470      5.661243
  H       0.905457      1.240038      7.610036
  H       1.678659      2.814471      7.918613
  H      -1.971692      0.277931      9.673318
  H      -0.598986     -0.042980      8.610791
  H      -1.703193      2.636531      9.608080
  H      -0.072101      1.979637      9.893424
  C      -4.172148      4.442884      6.659280
  C      -5.132076      3.650243      5.838389
  C      -6.222743      4.139782      5.223887
  C      -7.124493      3.288083      4.447441
  N      -6.640696      2.131874      3.983593
  C      -7.457199      1.360560      3.232872
  N      -8.710607      1.606190      2.889156
  C      -9.248039      2.761815      3.384687
  C     -10.609469      3.053022      3.120611
  C     -11.193811      4.188182      3.642158
  C     -10.441734      5.080498      4.439479
  C      -9.111617      4.826752      4.704646
  C      -8.484086      3.666080      4.186813
  C      -0.211747      1.802792      3.829468
  C       0.080746      0.340464      3.695907
  C      -0.710949     -0.597150      3.138753
  C      -1.997765     -0.366037      2.468142
  N      -2.155853      0.737305      1.732236
  C      -3.361843      0.928250      1.141671
  N      -4.406936      0.124470      1.152077
  C      -4.267186     -1.024460      1.880489
  C      -5.346929     -1.939961      1.929765
  C      -5.238700     -3.098506      2.670290
  C      -4.063727     -3.373391      3.408831
  C      -2.998197     -2.496941      3.379402
  C      -3.064119     -1.317003      2.597189
  C      -3.427346     -0.232941      7.680643
  C      -4.495385      0.345681      8.562009
  C      -5.827679      0.427278      8.358618
  C      -6.587721     -0.149722      7.253589
  N      -6.051354     -1.167815      6.572788
  C      -6.790824     -1.715227      5.579680
  N      -8.027596     -1.417422      5.229011
  C      -8.603630     -0.376674      5.903540
  C      -9.920870      0.009874      5.561419
  C     -10.508151      1.089140      6.183474
  C      -9.800469      1.827426      7.162933
  C      -8.521782      1.460202      7.528463
  C      -7.898308      0.340206      6.922842
  H      -4.069715      5.464311      6.244228
  H      -4.623467      4.582222      7.666552
  H      -4.927655      2.581433      5.759316
  H      -6.466725      5.202587      5.293173
  H      -7.015016      0.429174      2.866151
  H     -11.170654      2.343317      2.512198
  H     -12.245113      4.400764      3.443965
  H     -10.919240      5.971282      4.847956
  H      -8.546267      5.514229      5.332370
  H       0.607750      2.394499      3.386583
  H      -1.124878      2.060106      3.286980
  H       0.985419     -0.003581      4.208770
  H      -0.405999     -1.640365      3.242956
  H      -3.465793      1.861839      0.575463
  H      -6.254077     -1.694671      1.373250
  H      -6.073712     -3.801426      2.703711
  H      -4.006412     -4.280357      4.012617
  H      -2.107084     -2.706273      3.969645
  H      -3.093599     -1.213438      8.070329
  H      -3.812747     -0.407183      6.671788
  H      -4.111662      0.851431      9.456055
  H      -6.403337      0.996390      9.090112
  H      -6.297589     -2.516891      5.017281
  H     -10.430080     -0.552073      4.776341
  H     -11.514960      1.397757      5.902062
  H     -10.269766      2.697413      7.625758
  H      -7.984384      2.049047      8.273811
  N      -3.153107      1.528922      5.036295
90
Coordinates from ORCA-job orca E -6199.520764264868
  N      -2.867849      3.813881      6.855575
  Mo     -2.111310      2.061645      6.236042
  N      -2.295428      0.699187      7.665051
  C      -1.406147      0.671788      8.824941
  C      -0.877065      2.065058      9.164203
  N      -0.465425      2.769867      7.946172
  C      -0.673115      4.220706      7.967610
  C      -2.157071      4.560124      7.892195
  C       0.827814      2.334989      7.414901
  C       0.882077      2.525766      5.904312
  N      -0.367552      2.116097      5.276384
  H      -2.241666      5.648672      7.703500
  H      -2.643591      4.390088      8.876170
  H      -0.168004      4.636517      7.084706
  H      -0.223858      4.694743      8.861885
  H       1.724971      1.927041      5.514237
  H       1.115574      3.579366      5.647443
  H       0.917476      1.260494      7.630510
  H       1.673933      2.848325      7.909786
  H      -1.935990      0.284013      9.712521
  H      -0.570700     -0.031547      8.640879
  H      -1.690004      2.643815      9.623438
  H      -0.052814      2.003720      9.900456
  C      -4.191507      4.410335      6.663125
  C      -5.150553      3.612174      5.842934
  C      -6.237270      4.101313      5.220253
  C      -7.137798      3.248289      4.437064
  N      -6.652890      2.098142      3.969132
  C      -7.465328      1.339014      3.202295
  N      -8.717285      1.586359      2.849959
  C      -9.257334      2.732632      3.351649
  C     -10.618329      3.025428      3.079710
  C     -11.204361      4.155527      3.604166
  C     -10.454611      5.041867      4.412199
  C      -9.125410      4.783323      4.687177
  C      -8.496332      3.627527      4.167104
  C      -0.228496      1.786988      3.847784
  C       0.061007      0.322905      3.703017
  C      -0.725688     -0.607274      3.127715
  C      -1.997808     -0.361661      2.446258
  N      -2.129970      0.743581      1.713428
  C      -3.327800      0.947141      1.108419
  N      -4.386382      0.155903      1.104929
  C      -4.269119     -0.995266      1.832882
  C      -5.358350     -1.901574      1.867978
  C      -5.267524     -3.063953      2.605333
  C      -4.097646     -3.355350      3.350356
  C      -3.022280     -2.488859      3.333431
  C      -3.074167     -1.302919      2.558860
  C      -3.408566     -0.254132      7.738974
  C      -4.478150      0.341735      8.608186
  C      -5.805802      0.440970      8.394811
  C      -6.565161     -0.129750      7.288019
  N      -6.035102     -1.152889      6.609765
  C      -6.776745     -1.696130      5.617101
  N      -8.011255     -1.387296      5.265525
  C      -8.580819     -0.340946      5.938579
  C      -9.894663      0.062608      5.594231
  C     -10.473071      1.152105      6.212339
  C      -9.761911      1.876007      7.192902
  C      -8.486289      1.495090      7.559600
  C      -7.870763      0.371397      6.955315
  H      -4.084601      5.429913      6.239942
  H      -4.647715      4.559436      7.668411
  H      -4.943428      2.541845      5.770500
  H      -6.477109      5.166960      5.285990
  H      -7.022287      0.404177      2.837106
  H     -11.177874      2.321541      2.462442
  H     -12.255352      4.372291      3.398056
  H     -10.932799      5.934024      4.819673
  H      -8.561700      5.466631      5.322901
  H       0.595231      2.385178      3.404845
  H      -1.145598      2.053895      3.309967
  H       0.960976     -0.028027      4.219384
  H      -0.431807     -1.652816      3.222607
  H      -3.408481      1.877432      0.540583
  H      -6.254391     -1.648269      1.301097
  H      -6.107739     -3.760060      2.627062
  H      -4.049943     -4.268325      3.947335
  H      -2.129777     -2.711965      3.924977
  H      -3.069623     -1.225059      8.156502
  H      -3.793103     -0.457295      6.732149
  H      -4.097626      0.844082      9.504514
  H      -6.380364      1.019120      9.122289
  H      -6.286158     -2.486416      5.049532
  H     -10.406462     -0.492141      4.809312
  H     -11.476765      1.474153      5.928141
  H     -10.224730      2.746478      7.655736
  H      -7.946527      2.075260      8.305106
  N      -3.155669      1.485083      5.064398
90
Coordinates from ORCA-job orca E -6199.521192626751
  N      -2.890410      3.763913      6.857814
  Mo     -2.113307      2.015742      6.255659
  N      -2.274270      0.665753      7.700154
  C      -1.381379      0.658184      8.858072
  C      -0.869244      2.060753      9.186095
  N      -0.470981      2.759353      7.959535
  C      -0.698692      4.207262      7.968809
  C      -2.188535      4.526766      7.890145
  C       0.825909      2.336192      7.426356
  C       0.873522      2.519744      5.912844
  N      -0.375473      2.096490      5.288197
  H      -2.287046      5.611965      7.692238
  H      -2.674019      4.357865      8.875608
  H      -0.198673      4.622208      7.081702
  H      -0.256309      4.695777      8.860204
  H       1.720746      1.926531      5.522970
  H       1.096742      3.573777      5.648949
  H       0.928332      1.264130      7.648400
  H       1.669098      2.862180      7.915263
  H      -1.904591      0.269948      9.749982
  H      -0.536838     -0.035586      8.676257
  H      -1.689529      2.632100      9.644198
  H      -0.040712      2.017063      9.920879
  C      -4.215961      4.351093      6.654420
  C      -5.164846      3.550652      5.827701
  C      -6.243342      4.041555      5.192253
  C      -7.140512      3.193247      4.401379
  N      -6.657162      2.040691      3.935921
  C      -7.468061      1.283809      3.163568
  N      -8.716704      1.536402      2.803283
  C      -9.255320      2.686558      3.302133
  C     -10.614007      2.985647      3.023397
  C     -11.198371      4.120471      3.544092
  C     -10.449416      5.003703      4.355974
  C      -9.122723      4.739097      4.638280
  C      -8.495480      3.579310      4.121929
  C      -0.240320      1.796225      3.853294
  C       0.058908      0.338473      3.674851
  C      -0.729884     -0.581369      3.085631
  C      -2.011713     -0.320624      2.418524
  N      -2.142053      0.789384      1.690193
  C      -3.339820      1.001107      1.087081
  N      -4.400675      0.215388      1.084060
  C      -4.289639     -0.935901      1.813986
  C      -5.387257     -1.831060      1.857205
  C      -5.309074     -2.987769      2.602956
  C      -4.142963     -3.285735      3.346732
  C      -3.057368     -2.432000      3.319606
  C      -3.097004     -1.251302      2.537762
  C      -3.384510     -0.289242      7.794053
  C      -4.449948      0.324600      8.655616
  C      -5.776138      0.441860      8.436336
  C      -6.541300     -0.122505      7.329978
  N      -6.026671     -1.156404      6.657941
  C      -6.773432     -1.688837      5.664485
  N      -8.002149     -1.362776      5.308629
  C      -8.556355     -0.305148      5.975472
  C      -9.863119      0.116038      5.627030
  C     -10.425094      1.216602      6.238640
  C      -9.703017      1.937799      7.215166
  C      -8.434335      1.538748      7.586415
  C      -7.836923      0.399848      6.990448
  H      -4.110765      5.368926      6.230343
  H      -4.679262      4.499886      7.654906
  H      -4.957478      2.481098      5.760939
  H      -6.480383      5.106472      5.254952
  H      -7.024833      0.354573      2.796408
  H     -11.173479      2.283112      2.404202
  H     -12.247580      4.341081      3.333112
  H     -10.926375      5.896869      4.761235
  H      -8.559985      5.418876      5.277904
  H       0.574349      2.410410      3.422355
  H      -1.158334      2.065128      3.324923
  H       0.968524     -0.018854      4.175792
  H      -0.429127     -1.629956      3.152965
  H      -3.418418      1.934478      0.520252
  H      -6.282374     -1.571786      1.292209
  H      -6.158616     -3.672979      2.634158
  H      -4.106822     -4.192952      3.951678
  H      -2.169521     -2.657783      3.911831
  H      -3.041332     -1.248512      8.233270
  H      -3.771960     -0.515064      6.793891
  H      -4.064835      0.825065      9.551247
  H      -6.344702      1.032329      9.157723
  H      -6.295461     -2.500754      5.104899
  H     -10.382308     -0.434622      4.843682
  H     -11.422662      1.552469      5.950042
  H     -10.151285      2.822828      7.670507
  H      -7.885722      2.116824      8.328962
  N      -3.158527      1.418933      5.094841
90
Coordinates from ORCA-job orca E -6199.521426204766
  N      -2.912784      3.717484      6.870109
  Mo     -2.122124      1.972763      6.287574
  N      -2.252023      0.636051      7.748293
  C      -1.350623      0.644894      8.900168
  C      -0.853720      2.056734      9.214018
  N      -0.477236      2.748454      7.977049
  C      -0.723574      4.193175      7.971747
  C      -2.217261      4.495430      7.896734
  C       0.819737      2.340142      7.430885
  C       0.849418      2.521007      5.915522
  N      -0.397531      2.083286      5.300973
  H      -2.329259      5.576843      7.691342
  H      -2.697369      4.327163      8.883109
  H      -0.234446      4.604372      7.077559
  H      -0.282497      4.697407      8.853948
  H       1.696597      1.937385      5.516945
  H       1.055631      3.574838      5.649368
  H       0.939719      1.270879      7.655240
  H       1.660768      2.880584      7.907453
  H      -1.861484      0.254157      9.796777
  H      -0.499182     -0.038872      8.714707
  H      -1.677165      2.620873      9.673868
  H      -0.018972      2.030941      9.941050
  C      -4.242189      4.294087      6.660052
  C      -5.182217      3.490900      5.827625
  C      -6.248652      3.989751      5.177003
  C      -7.138950      3.152563      4.375718
  N      -6.658143      1.992204      3.925509
  C      -7.464177      1.233288      3.150673
  N      -8.704624      1.491269      2.773682
  C      -9.239789      2.653931      3.254514
  C     -10.590822      2.959691      2.957958
  C     -11.172901      4.105500      3.460096
  C     -10.428300      4.994302      4.270031
  C      -9.109187      4.723536      4.570369
  C      -8.484970      3.550904      4.074068
  C      -0.276766      1.818160      3.854427
  C       0.032943      0.367957      3.641926
  C      -0.754112     -0.545836      3.040335
  C      -2.037315     -0.280484      2.380834
  N      -2.169970      0.831236      1.650887
  C      -3.365493      1.043896      1.048163
  N      -4.424278      0.260485      1.049203
  C      -4.316126     -0.887200      1.786741
  C      -5.419473     -1.772706      1.843362
  C      -5.346341     -2.923346      2.600293
  C      -4.178303     -3.225962      3.339137
  C      -3.088974     -2.380784      3.299716
  C      -3.124156     -1.205668      2.508544
  C      -3.355853     -0.324738      7.859442
  C      -4.422231      0.299334      8.712746
  C      -5.746483      0.428938      8.483834
  C      -6.514300     -0.130050      7.375072
  N      -6.017439     -1.179546      6.711699
  C      -6.770750     -1.704437      5.716872
  N      -7.991201     -1.356102      5.352310
  C      -8.527272     -0.283527      6.010251
  C      -9.825725      0.154578      5.656120
  C     -10.369171      1.266408      6.260303
  C      -9.634728      1.987493      7.232822
  C      -8.374314      1.571286      7.609853
  C      -7.797752      0.415618      7.024361
  H      -4.140746      5.310645      6.235642
  H      -4.710760      4.441579      7.657084
  H      -4.979876      2.419951      5.764200
  H      -6.479670      5.055235      5.234166
  H      -7.024742      0.291807      2.801003
  H     -11.147060      2.253933      2.340608
  H     -12.216141      4.329680      3.236150
  H     -10.903074      5.896643      4.659700
  H      -8.550242      5.407087      5.209487
  H       0.523613      2.448866      3.426086
  H      -1.205585      2.087729      3.343729
  H       0.941759      0.009633      4.132098
  H      -0.449505     -1.593683      3.086669
  H      -3.443409      1.976574      0.477046
  H      -6.319522     -1.508236      1.282704
  H      -6.202805     -3.598621      2.645710
  H      -4.146627     -4.127708      3.952968
  H      -2.202830     -2.607353      3.890862
  H      -3.006690     -1.272270      8.316827
  H      -3.742975     -0.569949      6.865095
  H      -4.036424      0.800540      9.607770
  H      -6.312343      1.029129      9.197527
  H      -6.306433     -2.525136      5.163048
  H     -10.354476     -0.396387      4.875343
  H     -11.360346      1.612063      5.967861
  H     -10.067412      2.881457      7.681538
  H      -7.816124      2.145626      8.350634
  N      -3.172362      1.350090      5.143435
90
Coordinates from ORCA-job orca E -6199.521727226032
  N      -2.927807      3.691798      6.875776
  Mo     -2.124229      1.950338      6.308237
  N      -2.235411      0.625119      7.781728
  C      -1.329000      0.649472      8.930037
  C      -0.846090      2.068150      9.232617
  N      -0.479150      2.752381      7.988158
  C      -0.738836      4.194067      7.970496
  C      -2.235666      4.483989      7.895194
  C       0.819297      2.352283      7.438549
  C       0.840235      2.523961      5.920539
  N      -0.406300      2.071882      5.311803
  H      -2.355686      5.562671      7.679710
  H      -2.713667      4.319715      8.883808
  H      -0.254470      4.602142      7.071313
  H      -0.300926      4.710440      8.848004
  H       1.692047      1.944623      5.522577
  H       1.036451      3.578800      5.645680
  H       0.951707      1.286249      7.672500
  H       1.658530      2.906553      7.904120
  H      -1.831722      0.256807      9.830865
  H      -0.469757     -0.024472      8.742659
  H      -1.676149      2.627302      9.688257
  H      -0.009618      2.057230      9.959859
  C      -4.260765      4.260761      6.660280
  C      -5.195740      3.452342      5.826995
  C      -6.255868      3.955396      5.168808
  C      -7.150875      3.121402      4.363525
  N      -6.678366      1.957980      3.910560
  C      -7.487442      1.210050      3.126263
  N      -8.722462      1.483432      2.739431
  C      -9.250616      2.647031      3.223823
  C     -10.596802      2.969872      2.916056
  C     -11.172161      4.118786      3.419691
  C     -10.425298      4.993208      4.242311
  C      -9.110470      4.706114      4.553164
  C      -8.492772      3.531465      4.054814
  C      -0.291802      1.820117      3.864361
  C       0.016509      0.371209      3.640356
  C      -0.771028     -0.537505      3.031782
  C      -2.052474     -0.267217      2.369045
  N      -2.180833      0.848453      1.644584
  C      -3.372938      1.061520      1.032551
  N      -4.429846      0.274462      1.018369
  C      -4.325734     -0.876954      1.750786
  C      -5.426723     -1.766938      1.791020
  C      -5.361750     -2.917639      2.548456
  C      -4.201585     -3.218913      3.299047
  C      -3.111471     -2.372616      3.271099
  C      -3.139944     -1.195109      2.483274
  C      -3.333876     -0.341149      7.907363
  C      -4.402941      0.291601      8.752747
  C      -5.724600      0.429532      8.515915
  C      -6.490905     -0.125903      7.405441
  N      -6.000836     -1.180427      6.746930
  C      -6.756563     -1.703181      5.752554
  N      -7.973809     -1.349311      5.385048
  C      -8.502554     -0.270890      6.037928
  C      -9.796927      0.178069      5.680071
  C     -10.331288      1.298940      6.278322
  C      -9.592932      2.014488      7.249778
  C      -8.336959      1.587265      7.630248
  C      -7.769178      0.426381      7.050055
  H      -4.161845      5.277368      6.231876
  H      -4.733438      4.410688      7.656367
  H      -4.996328      2.379509      5.766757
  H      -6.478852      5.025137      5.222411
  H      -7.053021      0.273186      2.770443
  H     -11.155200      2.275478      2.288502
  H     -12.211859      4.357083      3.186747
  H     -10.894604      5.898893      4.632303
  H      -8.549693      5.379972      5.201303
  H       0.506676      2.454669      3.439092
  H      -1.222289      2.092122      3.360925
  H       0.929175      0.007258      4.125210
  H      -0.466276     -1.586917      3.070436
  H      -3.447506      1.996722      0.465750
  H      -6.317596     -1.505985      1.217881
  H      -6.217401     -3.594388      2.584672
  H      -4.174753     -4.122098      3.911073
  H      -2.230077     -2.600383      3.869492
  H      -2.980035     -1.279206      8.382834
  H      -3.718392     -0.605189      6.916360
  H      -4.019964      0.792272      9.648511
  H      -6.291873      1.034089      9.225630
  H      -6.299298     -2.534088      5.204103
  H     -10.328701     -0.369321      4.900195
  H     -11.318645      1.655022      5.981689
  H     -10.017935      2.915467      7.693322
  H      -7.774519      2.159508      8.368744
  N      -3.175599      1.307347      5.178016
90
Coordinates from ORCA-job orca E -6199.521955425565
  N      -2.941255      3.679271      6.892501
  Mo     -2.127725      1.944040      6.328747
  N      -2.218278      0.624999      7.808854
  C      -1.301132      0.663002      8.948154
  C      -0.831249      2.087568      9.239672
  N      -0.477808      2.769194      7.991215
  C      -0.750931      4.208258      7.968339
  C      -2.249446      4.485121      7.902041
  C       0.820027      2.379488      7.433998
  C       0.826770      2.539539      5.915485
  N      -0.418001      2.066688      5.318784
  H      -2.379075      5.562537      7.679838
  H      -2.719964      4.322900      8.894882
  H      -0.276269      4.616974      7.064759
  H      -0.312208      4.733240      8.839790
  H       1.684314      1.967744      5.516402
  H       1.008205      3.596472      5.631196
  H       0.968543      1.317698      7.678114
  H       1.656472      2.950584      7.884105
  H      -1.789893      0.266876      9.854427
  H      -0.435646     -0.000092      8.752751
  H      -1.664267      2.641152      9.694003
  H       0.007027      2.088139      9.962888
  C      -4.281376      4.232205      6.686232
  C      -5.212027      3.422896      5.847413
  C      -6.267921      3.931794      5.186991
  C      -7.162092      3.107575      4.370808
  N      -6.694193      1.943563      3.918129
  C      -7.500746      1.207293      3.120462
  N      -8.728050      1.493210      2.718185
  C      -9.252225      2.657868      3.201826
  C     -10.591565      2.992746      2.877553
  C     -11.163360      4.143750      3.380516
  C     -10.419604      5.006175      4.219410
  C      -9.111546      4.705024      4.546714
  C      -8.497258      3.529721      4.048400
  C      -0.311605      1.811738      3.874459
  C      -0.014027      0.357020      3.657912
  C      -0.803529     -0.549582      3.049025
  C      -2.072446     -0.276210      2.368856
  N      -2.190406      0.844082      1.652315
  C      -3.371988      1.058544      1.022641
  N      -4.428135      0.270222      0.985266
  C      -4.334621     -0.885625      1.709963
  C      -5.437408     -1.775340      1.728399
  C      -5.386761     -2.927317      2.484099
  C      -4.238122     -3.232026      3.249693
  C      -3.145235     -2.387855      3.239850
  C      -3.160557     -1.206729      2.458631
  C      -3.308410     -0.348692      7.950657
  C      -4.383962      0.288190      8.784214
  C      -5.703599      0.425547      8.537436
  C      -6.465447     -0.131418      7.423986
  N      -5.975170     -1.186193      6.768571
  C      -6.728504     -1.706294      5.771902
  N      -7.943646     -1.349539      5.399226
  C      -8.471864     -0.269077      6.048181
  C      -9.763410      0.186897      5.684228
  C     -10.296518      1.310323      6.279333
  C      -9.560363      2.023331      7.252036
  C      -8.307139      1.591000      7.637126
  C      -7.741023      0.425069      7.062220
  H      -4.194948      5.251567      6.264909
  H      -4.750467      4.370885      7.684090
  H      -5.012826      2.350640      5.781453
  H      -6.487833      4.999594      5.246536
  H      -7.070947      0.267571      2.766779
  H     -11.148932      2.304872      2.238426
  H     -12.198288      4.391871      3.135388
  H     -10.886641      5.910995      4.610106
  H      -8.553910      5.367548      5.208213
  H       0.492925      2.441169      3.443281
  H      -1.243899      2.088568      3.374672
  H       0.892560     -0.012163      4.150234
  H      -0.509497     -1.600955      3.098872
  H      -3.439648      1.998261      0.463330
  H      -6.318149     -1.513082      1.140978
  H      -6.244563     -3.602125      2.507283
  H      -4.221079     -4.137597      3.857721
  H      -2.272244     -2.620656      3.848609
  H      -2.947383     -1.273212      8.445023
  H      -3.688788     -0.633212      6.964116
  H      -4.007368      0.792619      9.681336
  H      -6.275400      1.032429      9.242596
  H      -6.274379     -2.546802      5.229379
  H     -10.293306     -0.356227      4.902690
  H     -11.281227      1.672726      5.977829
  H      -9.983261      2.930724      7.691132
  H      -7.745543      2.163970      8.374806
  N      -3.186003      1.286584      5.212385
90
Coordinates from ORCA-job orca E -6199.522119580264
  N      -2.952289      3.667451      6.913298
  Mo     -2.127632      1.938575      6.355477
  N      -2.193013      0.619063      7.843674
  C      -1.264530      0.674216      8.972999
  C      -0.814108      2.106327      9.254540
  N      -0.474124      2.782137      7.999848
  C      -0.760414      4.218630      7.968876
  C      -2.262150      4.484446      7.912742
  C       0.824736      2.400318      7.435183
  C       0.817479      2.555149      5.914624
  N      -0.428213      2.066703      5.328254
  H      -2.401657      5.558643      7.684503
  H      -2.724907      4.324019      8.908658
  H      -0.296611      4.625171      7.058471
  H      -0.317902      4.752399      8.833288
  H       1.682271      1.991514      5.511479
  H       0.985638      3.616149      5.623769
  H       0.987082      1.341443      7.687485
  H       1.660236      2.984418      7.872361
  H      -1.738472      0.273338      9.884698
  H      -0.388496      0.026074      8.770584
  H      -1.655047      2.652579      9.704607
  H       0.025856      2.122679      9.976930
  C      -4.301927      4.199718      6.707345
  C      -5.216694      3.380226      5.858991
  C      -6.265914      3.889504      5.190996
  C      -7.158033      3.063462      4.369322
  N      -6.696792      1.891722      3.928268
  C      -7.496468      1.164081      3.116835
  N      -8.708733      1.468442      2.686263
  C      -9.227106      2.639770      3.157094
  C     -10.551075      2.996000      2.798284
  C     -11.117610      4.155696      3.287119
  C     -10.382858      5.005561      4.145228
  C      -9.089062      4.684293      4.504711
  C      -8.480402      3.499868      4.021162
  C      -0.348638      1.820858      3.879734
  C      -0.066980      0.365700      3.660086
  C      -0.870774     -0.530214      3.056475
  C      -2.137376     -0.245654      2.375024
  N      -2.252087      0.884453      1.676971
  C      -3.431588      1.107405      1.045936
  N      -4.489742      0.320525      0.992803
  C      -4.399872     -0.844863      1.699594
  C      -5.504101     -1.732509      1.703323
  C      -5.456152     -2.893944      2.446073
  C      -4.310023     -3.209723      3.209050
  C      -3.215952     -2.368528      3.210749
  C      -3.227642     -1.177360      2.446160
  C      -3.270705     -0.365814      7.998060
  C      -4.351411      0.266318      8.832033
  C      -5.671612      0.400863      8.577664
  C      -6.429887     -0.160108      7.462642
  N      -5.946732     -1.229878      6.824232
  C      -6.698803     -1.756072      5.830091
  N      -7.905919     -1.385831      5.440846
  C      -8.426060     -0.288261      6.070215
  C      -9.707459      0.185855      5.685639
  C     -10.231143      1.327217      6.260787
  C      -9.497663      2.036339      7.234779
  C      -8.254400      1.587530      7.638610
  C      -7.696763      0.407611      7.083360
  H      -4.233636      5.225469      6.291723
  H      -4.775575      4.323559      7.707745
  H      -5.019796      2.307189      5.788178
  H      -6.481222      4.961825      5.246593
  H      -7.073085      0.218739      2.773788
  H     -11.101071      2.320125      2.142796
  H     -12.140903      4.423177      3.014495
  H     -10.845191      5.920185      4.523306
  H      -8.538466      5.339997      5.179295
  H       0.454315      2.440707      3.437210
  H      -1.287696      2.106330      3.393314
  H       0.837409     -0.014104      4.150095
  H      -0.588734     -1.583124      3.110311
  H      -3.497345      2.054789      0.501733
  H      -6.380383     -1.463810      1.114122
  H      -6.313426     -3.567009      2.460510
  H      -4.293796     -4.123807      3.804365
  H      -2.343534     -2.613587      3.816003
  H      -2.896404     -1.284274      8.499388
  H      -3.653014     -0.658137      7.011273
  H      -3.977922      0.770995      9.730910
  H      -6.248851      1.008221      9.277745
  H      -6.251224     -2.601577      5.302821
  H     -10.236515     -0.357241      4.904979
  H     -11.207727      1.703450      5.944289
  H      -9.914026      2.952409      7.659536
  H      -7.693845      2.158367      8.375026
  N      -3.188601      1.261281      5.255533
90
Coordinates from ORCA-job orca E -6199.522367159047
  N      -2.964451      3.673552      6.927654
  Mo     -2.135485      1.947892      6.370186
  N      -2.187597      0.627900      7.858488
  C      -1.250908      0.689581      8.980081
  C      -0.809009      2.125097      9.255088
  N      -0.477772      2.800640      7.998815
  C      -0.771680      4.236454      7.966968
  C      -2.273961      4.496621      7.919878
  C       0.818464      2.429086      7.422583
  C       0.796097      2.581067      5.903565
  N      -0.443436      2.075773      5.328187
  H      -2.418517      5.569413      7.689454
  H      -2.731376      4.338390      8.918180
  H      -0.316054      4.643114      7.053153
  H      -0.324806      4.774553      8.826462
  H       1.663913      2.031542      5.492552
  H       0.945063      3.641869      5.614144
  H       0.994887      1.373477      7.674986
  H       1.651172      3.023850      7.849106
  H      -1.715499      0.286240      9.895069
  H      -0.371832      0.047652      8.771692
  H      -1.652556      2.667482      9.703967
  H       0.030494      2.148537      9.976736
  C      -4.322207      4.189923      6.735823
  C      -5.233437      3.376038      5.878434
  C      -6.278008      3.897895      5.211302
  C      -7.175227      3.087027      4.382944
  N      -6.727395      1.908526      3.942063
  C      -7.534067      1.191950      3.127035
  N      -8.738615      1.516972      2.687979
  C      -9.243507      2.696546      3.157522
  C     -10.559143      3.075767      2.787897
  C     -11.114913      4.235912      3.282373
  C     -10.375213      5.069516      4.152449
  C      -9.087027      4.731852      4.517430
  C      -8.490271      3.542886      4.030085
  C      -0.365551      1.814086      3.881904
  C      -0.091097      0.352788      3.681354
  C      -0.892178     -0.550562      3.085186
  C      -2.150174     -0.276166      2.385177
  N      -2.271648      0.858283      1.693386
  C      -3.446072      1.071481      1.048687
  N      -4.491740      0.269586      0.974269
  C      -4.395264     -0.901062      1.672628
  C      -5.488869     -1.802458      1.655923
  C      -5.437636     -2.966782      2.395843
  C      -4.294871     -3.274825      3.171210
  C      -3.209404     -2.421809      3.189837
  C      -3.227334     -1.224515      2.432804
  C      -3.255026     -0.365705      8.017817
  C      -4.342584      0.256223      8.848942
  C      -5.657985      0.387019      8.584834
  C      -6.405348     -0.168895      7.460964
  N      -5.918336     -1.239870      6.825613
  C      -6.665554     -1.765877      5.826820
  N      -7.869627     -1.396325      5.430075
  C      -8.392989     -0.300131      6.056806
  C      -9.673230      0.164925      5.668175
  C     -10.200989      1.302900      6.242988
  C      -9.472224      2.017243      7.220492
  C      -8.230893      1.573688      7.628919
  C      -7.670274      0.396770      7.075192
  H      -4.268886      5.222590      6.336046
  H      -4.791902      4.292295      7.739886
  H      -5.043098      2.301417      5.799607
  H      -6.485652      4.971906      5.273062
  H      -7.123644      0.240820      2.785125
  H     -11.112066      2.414226      2.121712
  H     -12.132776      4.518498      3.003780
  H     -10.828927      5.985719      4.535044
  H      -8.532044      5.377435      5.199832
  H       0.440943      2.422954      3.433450
  H      -1.301831      2.096396      3.392426
  H       0.803323     -0.024585      4.185977
  H      -0.612855     -1.604545      3.161338
  H      -3.514941      2.020613      0.510010
  H      -6.361215     -1.540499      1.055224
  H      -6.288173     -3.649561      2.397483
  H      -4.274804     -4.192537      3.762324
  H      -2.341016     -2.663133      3.804767
  H      -2.871814     -1.276435      8.520595
  H      -3.633692     -0.661785      7.033721
  H      -3.978980      0.758869      9.752422
  H      -6.242345      0.987935      9.284403
  H      -6.217565     -2.613033      5.304845
  H     -10.200133     -0.383331      4.886216
  H     -11.177102      1.672204      5.925402
  H      -9.891982      2.930785      7.643631
  H      -7.671484      2.148525      8.366236
  N      -3.203256      1.257494      5.285240
90
Coordinates from ORCA-job orca E -6199.522588424720
  N      -2.989729      3.640290      6.941209
  Mo     -2.142195      1.920886      6.391180
  N      -2.167408      0.609777      7.886999
  C      -1.223055      0.692172      9.000324
  C      -0.798205      2.134880      9.261252
  N      -0.485987      2.807479      7.999374
  C      -0.800364      4.239120      7.965235
  C      -2.306270      4.475843      7.928303
  C       0.809723      2.449263      7.415210
  C       0.775151      2.590403      5.896504
  N      -0.460108      2.064334      5.335351
  H      -2.468150      5.546802      7.697251
  H      -2.755245      4.313774      8.930456
  H      -0.357523      4.649708      7.047634
  H      -0.354986      4.785780      8.819650
  H       1.647096      2.051249      5.482352
  H       0.906946      3.650318      5.600324
  H       1.000591      1.397303      7.670824
  H       1.637615      3.054987      7.833743
  H      -1.675763      0.291294      9.922474
  H      -0.338376      0.058606      8.791945
  H      -1.644851      2.668784      9.713940
  H       0.045536      2.173973      9.976241
  C      -4.353227      4.138904      6.753090
  C      -5.252809      3.330498      5.879238
  C      -6.289143      3.858375      5.202937
  C      -7.178407      3.058713      4.361190
  N      -6.731543      1.879364      3.925701
  C      -7.533906      1.167280      3.103450
  N      -8.733304      1.496191      2.653733
  C      -9.236157      2.679488      3.116120
  C     -10.546656      3.063464      2.735046
  C     -11.100441      4.228621      3.223749
  C     -10.364926      5.058538      4.101199
  C      -9.082210      4.713393      4.478331
  C      -8.486702      3.523178      3.994890
  C      -0.389586      1.804946      3.888905
  C      -0.115736      0.345331      3.678561
  C      -0.918981     -0.552237      3.076118
  C      -2.174480     -0.262884      2.379700
  N      -2.287978      0.879752      1.699165
  C      -3.462768      1.110120      1.057249
  N      -4.515719      0.318540      0.978093
  C      -4.428552     -0.858167      1.669410
  C      -5.533182     -1.745059      1.654970
  C      -5.493908     -2.911208      2.391961
  C      -4.351728     -3.236992      3.161370
  C      -3.255003     -2.398860      3.177178
  C      -3.261252     -1.199729      2.423463
  C      -3.223054     -0.392413      8.063872
  C      -4.310042      0.234193      8.891117
  C      -5.622646      0.375190      8.618869
  C      -6.366736     -0.174028      7.488602
  N      -5.887788     -1.250224      6.859467
  C      -6.633972     -1.771461      5.855499
  N      -7.829519     -1.391952      5.448578
  C      -8.342635     -0.287246      6.067499
  C      -9.611073      0.194511      5.663661
  C     -10.127820      1.341141      6.229806
  C      -9.398214      2.048247      7.213611
  C      -8.167838      1.590068      7.636234
  C      -7.619653      0.404649      7.090985
  H      -4.311776      5.176908      6.370403
  H      -4.826623      4.218755      7.755673
  H      -5.062912      2.256264      5.799517
  H      -6.496237      4.929411      5.269440
  H      -7.130303      0.200554      2.775670
  H     -11.097231      2.401356      2.064951
  H     -12.114367      4.514177      2.936944
  H     -10.818188      5.973942      4.482231
  H      -8.532212      5.352395      5.168085
  H       0.413211      2.418877      3.439065
  H      -1.328624      2.087269      3.404233
  H       0.776673     -0.035488      4.183173
  H      -0.647116     -1.607189      3.146086
  H      -3.528022      2.067835      0.528338
  H      -6.406066     -1.468577      1.060387
  H      -6.354080     -3.582270      2.395902
  H      -4.342790     -4.155133      3.751476
  H      -2.388373     -2.651483      3.789245
  H      -2.826647     -1.289318      8.577415
  H      -3.604651     -0.705739      7.088528
  H      -3.948396      0.731516      9.798977
  H      -6.206935      0.980097      9.316249
  H      -6.196062     -2.636557      5.344180
  H     -10.137722     -0.347385      4.877121
  H     -11.094808      1.723852      5.900911
  H      -9.808773      2.970053      7.628613
  H      -7.605674      2.160619      8.376472
  N      -3.209138      1.209838      5.316300
90
Coordinates from ORCA-job orca E -6199.522857484968
  N      -3.009504      3.633893      6.955196
  Mo     -2.148837      1.921726      6.403828
  N      -2.150391      0.606865      7.894931
  C      -1.199984      0.700353      9.001947
  C      -0.789613      2.148177      9.260029
  N      -0.491970      2.824418      7.996068
  C      -0.820278      4.252750      7.969401
  C      -2.329552      4.472091      7.944054
  C       0.802317      2.476455      7.404275
  C       0.758039      2.620216      5.885144
  N      -0.478260      2.082346      5.331344
  H      -2.503933      5.543641      7.720853
  H      -2.770458      4.300048      8.949191
  H      -0.388327      4.671452      7.049949
  H      -0.373508      4.799717      8.822816
  H       1.633525      2.090547      5.466048
  H       0.880471      3.682831      5.589536
  H       0.999849      1.424364      7.655212
  H       1.629773      3.083903      7.822456
  H      -1.642861      0.296189      9.928688
  H      -0.310808      0.074976      8.789920
  H      -1.639645      2.671560      9.718586
  H       0.057019      2.197097      9.971449
  C      -4.379960      4.113300      6.781031
  C      -5.268462      3.317468      5.885847
  C      -6.298274      3.856279      5.207361
  C      -7.187402      3.070260      4.357207
  N      -6.752245      1.882239      3.933690
  C      -7.555989      1.177700      3.108208
  N      -8.745868      1.521048      2.643742
  C      -9.236590      2.714254      3.093099
  C     -10.537265      3.112326      2.696880
  C     -11.079996      4.287849      3.175564
  C     -10.343743      5.112189      4.059149
  C      -9.070151      4.751851      4.450803
  C      -8.485565      3.551671      3.976758
  C      -0.415034      1.814484      3.885554
  C      -0.141620      0.353962      3.680299
  C      -0.942126     -0.550930      3.081709
  C      -2.202234     -0.267468      2.386014
  N      -2.324344      0.876907      1.708393
  C      -3.497910      1.099150      1.065007
  N      -4.543066      0.299272      0.981678
  C      -4.450334     -0.876851      1.672975
  C      -5.551522     -1.767443      1.661260
  C      -5.508563     -2.931066      2.400076
  C      -4.365381     -3.251671      3.168927
  C      -3.272589     -2.409167      3.183240
  C      -3.283622     -1.211325      2.427860
  C      -3.192369     -0.411659      8.071926
  C      -4.283145      0.197840      8.907430
  C      -5.601224      0.329037      8.638480
  C      -6.345824     -0.222253      7.506615
  N      -5.872723     -1.305013      6.883369
  C      -6.615310     -1.818257      5.874152
  N      -7.801428     -1.418921      5.453458
  C      -8.307311     -0.306134      6.065183
  C      -9.563576      0.195514      5.644259
  C     -10.073840      1.343939      6.205339
  C      -9.346150      2.043531      7.196478
  C      -8.125462      1.572322      7.633137
  C      -7.587525      0.374484      7.096777
  H      -4.355020      5.160349      6.427606
  H      -4.854171      4.157037      7.784145
  H      -5.082654      2.244219      5.798623
  H      -6.501425      4.924239      5.282494
  H      -7.163700      0.204061      2.792512
  H     -11.089076      2.452714      2.023199
  H     -12.086123      4.584065      2.876987
  H     -10.789203      6.033981      4.434339
  H      -8.520639      5.384894      5.145636
  H       0.384344      2.427548      3.428876
  H      -1.354587      2.095057      3.402270
  H       0.751826     -0.024115      4.190153
  H      -0.665781     -1.606339      3.160359
  H      -3.571232      2.059088      0.540351
  H      -6.428508     -1.492184      1.070456
  H      -6.367830     -3.604230      2.406335
  H      -4.354861     -4.167255      3.761902
  H      -2.407574     -2.656024      3.797455
  H      -2.780542     -1.306377      8.578021
  H      -3.576035     -0.723739      7.096714
  H      -3.922302      0.690250      9.818699
  H      -6.187391      0.928629      9.337793
  H      -6.182135     -2.684255      5.368051
  H     -10.087844     -0.338399      4.852033
  H     -11.033021      1.736874      5.866350
  H      -9.750841      2.969071      7.606270
  H      -7.564215      2.135521      8.378781
  N      -3.215474      1.190826      5.339715
90
Coordinates from ORCA-job orca E -6199.523214856485
  N      -3.036865      3.630508      6.976498
  Mo     -2.161184      1.925402      6.421905
  N      -2.130862      0.606058      7.910376
  C      -1.169650      0.711947      9.005155
  C      -0.775926      2.165626      9.257353
  N      -0.501847      2.846630      7.990154
  C      -0.847027      4.271890      7.971095
  C      -2.360092      4.472079      7.960737
  C       0.789612      2.510772      7.385946
  C       0.730455      2.652170      5.868252
  N      -0.504413      2.097775      5.330363
  H      -2.551519      5.540374      7.743517
  H      -2.787883      4.293581      8.968758
  H      -0.429153      4.698333      7.048308
  H      -0.397474      4.819622      8.822689
  H       1.608270      2.133238      5.441492
  H       0.837360      3.715607      5.571030
  H       0.996736      1.459266      7.631115
  H       1.615677      3.120136      7.801783
  H      -1.596058      0.305573      9.938495
  H      -0.276737      0.094583      8.787188
  H      -1.626103      2.676892      9.726865
  H       0.076957      2.226016      9.958563
  C      -4.416358      4.090043      6.815639
  C      -5.290147      3.306630      5.893368
  C      -6.310531      3.855691      5.209717
  C      -7.199380      3.078960      4.348338
  N      -6.777205      1.883396      3.932733
  C      -7.579907      1.189735      3.096702
  N      -8.755445      1.553675      2.610448
  C      -9.232325      2.755940      3.049545
  C     -10.517133      3.178243      2.628164
  C     -11.049929      4.358883      3.102313
  C     -10.319239      5.167119      4.005669
  C      -9.058475      4.787618      4.418080
  C      -8.484652      3.578517      3.949938
  C      -0.452089      1.811933      3.886701
  C      -0.184613      0.350980      3.692295
  C      -0.988176     -0.555722      3.099787
  C      -2.248920     -0.271868      2.405589
  N      -2.373358      0.877743      1.737938
  C      -3.547172      1.102085      1.098692
  N      -4.591939      0.301018      1.010056
  C      -4.498380     -0.879375      1.693215
  C      -5.600174     -1.769633      1.681153
  C      -5.553630     -2.939125      2.410143
  C      -4.409863     -3.263727      3.173576
  C      -3.318498     -2.419671      3.190852
  C      -3.330410     -1.217840      2.441955
  C      -3.151619     -0.434099      8.090079
  C      -4.245596      0.147268      8.941255
  C      -5.563565      0.271764      8.671901
  C      -6.297551     -0.272692      7.531013
  N      -5.822998     -1.361668      6.917912
  C      -6.553692     -1.870477      5.900704
  N      -7.729437     -1.458400      5.461023
  C      -8.235594     -0.338829      6.061496
  C      -9.478940      0.172943      5.617819
  C      -9.986462      1.331341      6.165406
  C      -9.269622      2.026635      7.167610
  C      -8.063026      1.541083      7.628581
  C      -7.527354      0.336425      7.103075
  H      -4.410735      5.150962      6.498055
  H      -4.896216      4.088189      7.820571
  H      -5.111343      2.232697      5.798302
  H      -6.506583      4.926145      5.291949
  H      -7.200163      0.211247      2.789888
  H     -11.063803      2.532950      1.938307
  H     -12.043775      4.673982      2.783237
  H     -10.757116      6.095270      4.377677
  H      -8.511925      5.413297      5.124927
  H       0.343969      2.419322      3.417232
  H      -1.393032      2.091357      3.403588
  H       0.704638     -0.026953      4.211279
  H      -0.715691     -1.610023      3.190272
  H      -3.622224      2.065960      0.584235
  H      -6.479504     -1.488590      1.098618
  H      -6.412083     -3.613361      2.413260
  H      -4.397841     -4.183339      3.760755
  H      -2.453879     -2.668500      3.803017
  H      -2.715760     -1.326970      8.579345
  H      -3.541351     -0.740010      7.114407
  H      -3.888411      0.628649      9.859416
  H      -6.156535      0.858320      9.375949
  H      -6.120230     -2.743606      5.405461
  H      -9.995546     -0.359904      4.819204
  H     -10.935643      1.733774      5.809580
  H      -9.672494      2.959655      7.567047
  H      -7.509642      2.098228      8.382535
  N      -3.224646      1.176468      5.369749
90
Coordinates from ORCA-job orca E -6199.523474968190
  N      -3.060450      3.647271      6.995182
  Mo     -2.176313      1.948184      6.431446
  N      -2.117253      0.620095      7.912596
  C      -1.150330      0.735124      9.001519
  C      -0.768218      2.192079      9.252139
  N      -0.510958      2.877441      7.980701
  C      -0.865623      4.300251      7.972823
  C      -2.381847      4.485707      7.980553
  C       0.778902      2.548928      7.366386
  C       0.707088      2.692745      5.847948
  N      -0.531799      2.129103      5.322389
  H      -2.586946      5.553843      7.776782
  H      -2.794874      4.293382      8.992515
  H      -0.461254      4.734908      7.046896
  H      -0.410354      4.844722      8.823748
  H       1.584669      2.178243      5.413826
  H       0.805943      3.757669      5.549158
  H       0.988963      1.495623      7.603864
  H       1.606850      3.154795      7.784105
  H      -1.567070      0.326654      9.939869
  H      -0.252816      0.123448      8.780398
  H      -1.621143      2.693269      9.731448
  H       0.091967      2.261614      9.947571
  C      -4.449239      4.086879      6.855894
  C      -5.307337      3.325015      5.902812
  C      -6.316842      3.889260      5.215954
  C      -7.208895      3.123485      4.345394
  N      -6.805044      1.919361      3.938876
  C      -7.612817      1.232097      3.100308
  N      -8.774675      1.614791      2.596786
  C      -9.231214      2.829305      3.022068
  C     -10.497316      3.281724      2.573838
  C     -11.012345      4.478338      3.034283
  C     -10.285108      5.267204      3.954828
  C      -9.040552      4.859617      4.391185
  C      -8.481323      3.641192      3.931881
  C      -0.491237      1.813399      3.884005
  C      -0.231942      0.350559      3.713274
  C      -1.036409     -0.563133      3.131192
  C      -2.295955     -0.291696      2.434277
  N      -2.430765      0.859459      1.769936
  C      -3.609001      1.077071      1.134785
  N      -4.647633      0.267386      1.041707
  C      -4.542027     -0.916236      1.718075
  C      -5.633115     -1.819123      1.697976
  C      -5.571687     -2.996111      2.414374
  C      -4.424393     -3.314508      3.176875
  C      -3.344264     -2.456500      3.205064
  C      -3.369221     -1.248489      2.464882
  C      -3.113469     -0.445456      8.085684
  C      -4.210653      0.096383      8.958454
  C      -5.531835      0.202058      8.696278
  C      -6.257681     -0.342252      7.549227
  N      -5.780538     -1.433125      6.942822
  C      -6.504281     -1.945240      5.919303
  N      -7.671549     -1.529565      5.463824
  C      -8.178254     -0.406792      6.055697
  C      -9.408598      0.117931      5.588735
  C      -9.911647      1.287079      6.123848
  C      -9.208006      1.968213      7.142961
  C      -8.016398      1.467092      7.628402
  C      -7.480388      0.264538      7.108383
  H      -4.466774      5.161156      6.587120
  H      -4.931265      4.026539      7.859178
  H      -5.139142      2.250585      5.796987
  H      -6.504668      4.961990      5.308364
  H      -7.251842      0.241957      2.807795
  H     -11.041920      2.649294      1.872099
  H     -11.991113      4.818852      2.692207
  H     -10.711608      6.203273      4.320645
  H      -8.496424      5.473482      5.108492
  H       0.301381      2.407894      3.394012
  H      -1.434914      2.089535      3.400532
  H       0.651623     -0.023453      4.244357
  H      -0.761008     -1.615538      3.237229
  H      -3.692291      2.042210      0.627647
  H      -6.513696     -1.542088      1.118726
  H      -6.420029     -3.681661      2.407548
  H      -4.399674     -4.240911      3.754337
  H      -2.476395     -2.700885      3.817456
  H      -2.651677     -1.339949      8.547709
  H      -3.508491     -0.738266      7.107306
  H      -3.855656      0.569913      9.881337
  H      -6.134255      0.767783      9.409797
  H      -6.069673     -2.821486      5.431269
  H      -9.916400     -0.407835      4.780413
  H     -10.848970      1.705433      5.748347
  H      -9.608718      2.905551      7.534212
  H      -7.469737      2.017992      8.392682
  N      -3.238839      1.184166      5.390167
90
Coordinates from ORCA-job orca E -6199.523693473379
  N      -3.087461      3.630066      7.011771
  Mo     -2.193679      1.934196      6.450842
  N      -2.102353      0.615618      7.938799
  C      -1.129343      0.744765      9.020738
  C      -0.755747      2.205506      9.258765
  N      -0.522874      2.887490      7.980546
  C      -0.891374      4.306978      7.970215
  C      -2.408713      4.475842      7.991238
  C       0.763899      2.568368      7.355062
  C       0.676659      2.703007      5.837846
  N      -0.561900      2.127048      5.327754
  H      -2.629360      5.541719      7.789821
  H      -2.807977      4.277758      9.007191
  H      -0.500625      4.742144      7.039432
  H      -0.435760      4.858899      8.815117
  H       1.550587      2.188982      5.398345
  H       0.764803      3.765426      5.531407
  H       0.983395      1.517257      7.592578
  H       1.589689      3.180783      7.764811
  H      -1.535340      0.339431      9.964552
  H      -0.229450      0.137068      8.797412
  H      -1.605050      2.701982      9.748426
  H       0.114772      2.286547      9.938556
  C      -4.480048      4.064269      6.878222
  C      -5.331713      3.312507      5.910143
  C      -6.328246      3.885218      5.211914
  C      -7.216146      3.124615      4.330124
  N      -6.819993      1.912453      3.933192
  C      -7.623734      1.232178      3.086543
  N      -8.774056      1.629342      2.564952
  C      -9.224293      2.848689      2.980578
  C     -10.480543      3.311816      2.514314
  C     -10.992501      4.509308      2.966279
  C     -10.269672      5.296423      3.893293
  C      -9.033776      4.879634      4.346510
  C      -8.479150      3.654786      3.898263
  C      -0.525758      1.804674      3.892028
  C      -0.265049      0.341609      3.717754
  C      -1.068944     -0.566543      3.127443
  C      -2.326837     -0.287981      2.434228
  N      -2.454138      0.864337      1.770652
  C      -3.631761      1.090838      1.136480
  N      -4.676073      0.288412      1.041780
  C      -4.575939     -0.897488      1.716185
  C      -5.672167     -1.795100      1.692701
  C      -5.616803     -2.975188      2.404002
  C      -4.469473     -3.302277      3.165757
  C      -3.384349     -2.448869      3.199166
  C      -3.404361     -1.237925      2.463332
  C      -3.078714     -0.465965      8.123392
  C      -4.177249      0.061659      9.001931
  C      -5.496364      0.165118      8.738804
  C      -6.214436     -0.372828      7.584546
  N      -5.737326     -1.465472      6.982414
  C      -6.452884     -1.969393      5.949386
  N      -7.612408     -1.546438      5.480928
  C      -8.118884     -0.421411      6.068086
  C      -9.341226      0.111038      5.588976
  C      -9.841390      1.280808      6.119448
  C      -9.142754      1.959692      7.145085
  C      -7.959781      1.453439      7.642474
  C      -7.427727      0.244211      7.128925
  H      -4.503107      5.144697      6.630492
  H      -4.967019      3.980357      7.879171
  H      -5.170500      2.236395      5.805422
  H      -6.508575      4.961379      5.304729
  H      -7.266620      0.243309      2.799234
  H     -11.022209      2.681261      1.807690
  H     -11.964638      4.855396      2.610744
  H     -10.693160      6.236669      4.251631
  H      -8.493472      5.491243      5.069024
  H       0.263585      2.400934      3.396842
  H      -1.470329      2.080260      3.411322
  H       0.618934     -0.036704      4.246890
  H      -0.794227     -1.619150      3.222606
  H      -3.709930      2.058555      0.632261
  H      -6.552037     -1.510983      1.115450
  H      -6.469973     -3.655994      2.394432
  H      -4.448362     -4.231321      3.738970
  H      -2.516450     -2.697862      3.812304
  H      -2.598531     -1.350379      8.583274
  H      -3.474597     -0.769216      7.149639
  H      -3.824899      0.531163      9.927462
  H      -6.103718      0.723342      9.455160
  H      -6.014595     -2.842135      5.461521
  H      -9.844745     -0.411518      4.775526
  H     -10.771757      1.702442      5.734557
  H      -9.540650      2.897783      7.532824
  H      -7.417230      2.000875      8.413510
  N      -3.260009      1.159963      5.421842
90
Coordinates from ORCA-job orca E -6199.523883802100
  N      -3.094764      3.631833      7.024866
  Mo     -2.204257      1.935952      6.460179
  N      -2.098336      0.623228      7.950649
  C      -1.121109      0.751177      9.029259
  C      -0.741521      2.211405      9.264081
  N      -0.522323      2.893407      7.983290
  C      -0.892192      4.312300      7.971004
  C      -2.409422      4.480362      7.998622
  C       0.761107      2.578632      7.349497
  C       0.661532      2.710369      5.833288
  N      -0.579353      2.131530      5.331234
  H      -2.634392      5.544932      7.795897
  H      -2.800680      4.280716      9.017213
  H      -0.506243      4.744984      7.036816
  H      -0.435677      4.868163      8.812901
  H       1.529111      2.193337      5.388111
  H       0.745394      3.770759      5.523320
  H       0.985795      1.529093      7.587168
  H       1.586487      3.196792      7.751124
  H      -1.523081      0.345373      9.973976
  H      -0.224017      0.142428      8.799790
  H      -1.583279      2.709750      9.762702
  H       0.138550      2.291493      9.930408
  C      -4.487591      4.071739      6.897684
  C      -5.340258      3.328083      5.924190
  C      -6.326795      3.907146      5.217124
  C      -7.207892      3.148776      4.326473
  N      -6.810866      1.937292      3.935604
  C      -7.609765      1.254144      3.086805
  N      -8.756392      1.648081      2.556498
  C      -9.206650      2.870175      2.962692
  C     -10.457770      3.334388      2.482910
  C     -10.969764      4.535341      2.922031
  C     -10.251658      5.326553      3.849819
  C      -9.021123      4.909033      4.316673
  C      -8.466552      3.679324      3.881742
  C      -0.547001      1.806008      3.895284
  C      -0.288438      0.340265      3.719859
  C      -1.091276     -0.564055      3.122980
  C      -2.352629     -0.285449      2.432442
  N      -2.479757      0.863577      1.762184
  C      -3.656338      1.088143      1.125995
  N      -4.698363      0.284186      1.031844
  C      -4.596490     -0.900426      1.708826
  C      -5.688020     -1.803512      1.677507
  C      -5.631643     -2.984924      2.386527
  C      -4.487476     -3.307009      3.154307
  C      -3.407607     -2.447393      3.197654
  C      -3.428632     -1.235473      2.463411
  C      -3.066560     -0.466085      8.138876
  C      -4.166969      0.051465      9.019479
  C      -5.487274      0.142448      8.760145
  C      -6.201110     -0.397782      7.604885
  N      -5.719156     -1.489390      7.004492
  C      -6.429095     -1.992353      5.967460
  N      -7.589088     -1.575261      5.495514
  C      -8.101795     -0.452848      6.081654
  C      -9.327498      0.070656      5.603017
  C      -9.831098      1.241192      6.130303
  C      -9.136805      1.924886      7.155914
  C      -7.954324      1.421210      7.656764
  C      -7.415374      0.215681      7.143632
  H      -4.507506      5.155130      6.659417
  H      -4.975788      3.980560      7.898333
  H      -5.184252      2.251074      5.820045
  H      -6.504631      4.983113      5.310083
  H      -7.253936      0.257772      2.810845
  H     -10.995506      2.702940      1.775679
  H     -11.937691      4.882833      2.555172
  H     -10.674074      6.273364      4.196202
  H      -8.482936      5.526358      5.038410
  H       0.243236      2.397759      3.396292
  H      -1.490951      2.085297      3.416797
  H       0.595613     -0.041987      4.244972
  H      -0.815314     -1.616455      3.209396
  H      -3.732586      2.053208      0.615928
  H      -6.567593     -1.521944      1.096408
  H      -6.482510     -3.668699      2.372572
  H      -4.464512     -4.237002      3.725172
  H      -2.543324     -2.691534      3.816307
  H      -2.579248     -1.346657      8.598842
  H      -3.461047     -0.776178      7.166468
  H      -3.817200      0.523155      9.943806
  H      -6.099069      0.693647      9.477323
  H      -5.985116     -2.866757      5.478925
  H      -9.828423     -0.456908      4.790150
  H     -10.761156      1.657510      5.742242
  H      -9.536608      2.864404      7.542443
  H      -7.419397      1.966452      8.432453
  N      -3.281606      1.165537      5.438699
90
Coordinates from ORCA-job orca E -6199.524000017851
  N      -3.122040      3.611447      7.047877
  Mo     -2.222187      1.921529      6.484562
  N      -2.082357      0.620595      7.982733
  C      -1.096528      0.763535      9.051767
  C      -0.728218      2.228909      9.276093
  N      -0.532194      2.905248      7.989160
  C      -0.917963      4.320177      7.970351
  C      -2.436161      4.472665      8.012418
  C       0.748226      2.604823      7.341326
  C       0.627945      2.727066      5.825191
  N      -0.611779      2.131832      5.338499
  H      -2.675656      5.533490      7.807141
  H      -2.814679      4.270104      9.035937
  H      -0.545807      4.749622      7.029372
  H      -0.460854      4.889155      8.803585
  H       1.494872      2.215223      5.371751
  H       0.695583      3.786195      5.507882
  H       0.992608      1.561137      7.584454
  H       1.568377      3.241384      7.725578
  H      -1.486733      0.356703     10.000298
  H      -0.195116      0.164322      8.813965
  H      -1.569077      2.722909      9.781527
  H       0.161114      2.321511      9.928914
  C      -4.519519      4.036548      6.932535
  C      -5.364803      3.305876      5.945156
  C      -6.336247      3.897191      5.227168
  C      -7.209548      3.150639      4.321248
  N      -6.818530      1.936183      3.938418
  C      -7.614559      1.254976      3.085111
  N      -8.751960      1.654843      2.540899
  C      -9.193992      2.886554      2.933282
  C     -10.434410      3.360702      2.434066
  C     -10.936555      4.575116      2.855366
  C     -10.221485      5.363148      3.788114
  C      -9.002717      4.933759      4.275352
  C      -8.456024      3.694476      3.856246
  C      -0.593492      1.806613      3.902592
  C      -0.339356      0.340357      3.727557
  C      -1.142231     -0.559725      3.124732
  C      -2.400753     -0.279561      2.430773
  N      -2.525592      0.869335      1.759976
  C      -3.698125      1.093651      1.116920
  N      -4.737586      0.287924      1.015683
  C      -4.637892     -0.897053      1.691053
  C      -5.724535     -1.804529      1.645055
  C      -5.670493     -2.988319      2.350707
  C      -4.533245     -3.307751      3.127569
  C      -3.458091     -2.444014      3.185258
  C      -3.476093     -1.229884      2.455639
  C      -3.030957     -0.482519      8.186194
  C      -4.135276      0.026336      9.067091
  C      -5.453331      0.111402      8.801798
  C      -6.155388     -0.423967      7.637148
  N      -5.676318     -1.522392      7.045643
  C      -6.378770     -2.022510      5.999821
  N      -7.527921     -1.595024      5.510435
  C      -8.037077     -0.465817      6.087920
  C      -9.251606      0.070971      5.593045
  C      -9.748488      1.249097      6.110939
  C      -9.062331      1.924725      7.145737
  C      -7.892404      1.407879      7.663339
  C      -7.358362      0.198029      7.157861
  H      -4.552331      5.121660      6.716224
  H      -5.002514      3.920635      7.930254
  H      -5.215309      2.229261      5.834930
  H      -6.510105      4.970422      5.325302
  H      -7.263968      0.254693      2.817925
  H     -10.973733      2.726511      1.726722
  H     -11.896999      4.928898      2.475232
  H     -10.639636      6.311671      4.124680
  H      -8.468274      5.545956      5.002180
  H       0.194850      2.393634      3.395145
  H      -1.543036      2.086309      3.433010
  H       0.543596     -0.044400      4.249218
  H      -0.867041     -1.613240      3.203256
  H      -3.770445      2.057709      0.603866
  H      -6.597615     -1.526339      1.053775
  H      -6.516928     -3.675405      2.327471
  H      -4.510494     -4.240464      3.693614
  H      -2.598680     -2.687521      3.809968
  H      -2.526851     -1.349339      8.654966
  H      -3.423701     -0.810754      7.219005
  H      -3.791667      0.497625      9.994431
  H      -6.072523      0.657701      9.516559
  H      -5.935660     -2.898443      5.515851
  H      -9.747571     -0.452097      4.774359
  H     -10.666998      1.677433      5.707111
  H      -9.456348      2.868967      7.525813
  H      -7.362037      1.949323      8.446941
  N      -3.311985      1.138589      5.484340
90
Coordinates from ORCA-job orca E -6199.524074942376
  N      -3.112576      3.629897      7.048433
  Mo     -2.222743      1.935369      6.480151
  N      -2.089549      0.633637      7.977183
  C      -1.101960      0.771490      9.045846
  C      -0.725440      2.234726      9.271544
  N      -0.524734      2.909999      7.985023
  C      -0.903055      4.326671      7.966110
  C      -2.419728      4.487590      8.012067
  C       0.754839      2.605741      7.336433
  C       0.633028      2.727152      5.819611
  N      -0.609634      2.136015      5.335621
  H      -2.653282      5.550008      7.807104
  H      -2.797572      4.286349      9.036607
  H      -0.530486      4.753326      7.024139
  H      -0.440665      4.894120      8.797399
  H       1.499616      2.212593      5.365126
  H       0.703655      3.786661      5.500704
  H       1.000362      1.562891      7.583031
  H       1.575778      3.244388      7.716220
  H      -1.495277      0.366071      9.993598
  H      -0.202900      0.168593      8.806913
  H      -1.563877      2.734542      9.777135
  H       0.165516      2.320797      9.924548
  C      -4.508845      4.059501      6.936835
  C      -5.356212      3.330423      5.951022
  C      -6.326743      3.920704      5.231445
  C      -7.200058      3.168920      4.327389
  N      -6.807315      1.953435      3.946158
  C      -7.603118      1.269485      3.094865
  N      -8.742373      1.666202      2.552324
  C      -9.186312      2.896838      2.943145
  C     -10.426794      3.368336      2.442268
  C     -10.928124      4.585360      2.857831
  C     -10.212713      5.376395      3.787346
  C      -8.994853      4.947842      4.277539
  C      -8.448038      3.707826      3.863165
  C      -0.594261      1.802205      3.903071
  C      -0.346020      0.335007      3.739374
  C      -1.150634     -0.564888      3.139473
  C      -2.404595     -0.283999      2.441697
  N      -2.529509      0.866782      1.773999
  C      -3.699493      1.092060      1.129272
  N      -4.738770      0.286208      1.026007
  C      -4.639955     -0.900942      1.696999
  C      -5.726647     -1.809159      1.644936
  C      -5.671942     -2.996640      2.344543
  C      -4.534396     -3.318652      3.120864
  C      -3.459827     -2.453759      3.184882
  C      -3.478402     -1.235683      2.462045
  C      -3.039062     -0.469377      8.177557
  C      -4.145236      0.032729      9.060227
  C      -5.467166      0.101484      8.799649
  C      -6.167316     -0.441776      7.635905
  N      -5.679951     -1.535622      7.043783
  C      -6.377362     -2.040536      5.996702
  N      -7.528621     -1.620034      5.506287
  C      -8.046764     -0.495166      6.084699
  C      -9.264588      0.034048      5.589281
  C      -9.772038      1.204977      6.108632
  C      -9.091246      1.887645      7.143429
  C      -7.916671      1.382111      7.660402
  C      -7.374302      0.172389      7.156038
  H      -4.540280      5.144498      6.719711
  H      -4.988182      3.945532      7.936413
  H      -5.207763      2.253629      5.840920
  H      -6.500785      4.995158      5.326946
  H      -7.250989      0.269057      2.827627
  H     -10.965596      2.733981      1.736505
  H     -11.887610      4.939602      2.475531
  H     -10.629329      6.329627      4.117670
  H      -8.460276      5.562353      5.001455
  H       0.197698      2.381023      3.391102
  H      -1.543613      2.080903      3.432583
  H       0.538559     -0.048788      4.259834
  H      -0.875892     -1.619684      3.218122
  H      -3.773618      2.059287      0.618699
  H      -6.598986     -1.530320      1.052031
  H      -6.517010     -3.685778      2.316079
  H      -4.510998     -4.254746      3.681311
  H      -2.600219     -2.700423      3.808513
  H      -2.534373     -1.336237      8.645285
  H      -3.431155     -0.796848      7.210348
  H      -3.802918      0.508682      9.986498
  H      -6.089970      0.642726      9.515316
  H      -5.928077     -2.913602      5.512879
  H      -9.755536     -0.491538      4.769996
  H     -10.694052      1.624951      5.704571
  H      -9.493043      2.826962      7.524609
  H      -7.390964      1.930267      8.444851
  N      -3.316758      1.160258      5.478938
90
Coordinates from ORCA-job orca E -6199.524132868954
  N      -3.115882      3.631502      7.053870
  Mo     -2.226421      1.934769      6.487000
  N      -2.089177      0.635748      7.985864
  C      -1.098516      0.776979      9.051092
  C      -0.723471      2.240926      9.273633
  N      -0.524771      2.913506      7.985757
  C      -0.904803      4.329676      7.965326
  C      -2.421412      4.489628      8.015682
  C       0.753558      2.610072      7.334749
  C       0.627391      2.731107      5.817685
  N      -0.616332      2.138414      5.336672
  H      -2.654892      5.552022      7.810560
  H      -2.797599      4.289920      9.041152
  H      -0.535600      4.754706      7.021331
  H      -0.438921      4.899059      8.793528
  H       1.495611      2.220504      5.360766
  H       0.696276      3.791816      5.499213
  H       1.003609      1.568459      7.583288
  H       1.574566      3.252112      7.710563
  H      -1.490294      0.373595     10.000579
  H      -0.198962      0.174607      8.811787
  H      -1.561099      2.741500      9.780352
  H       0.168394      2.327903      9.925738
  C      -4.512608      4.060212      6.942571
  C      -5.358217      3.332608      5.954618
  C      -6.324673      3.924582      5.231232
  C      -7.198952      3.173366      4.327268
  N      -6.809718      1.954812      3.949860
  C      -7.606451      1.274183      3.098310
  N      -8.744264      1.674456      2.554505
  C      -9.184215      2.906722      2.941350
  C     -10.421542      3.381073      2.437188
  C     -10.918207      4.599323      2.848125
  C     -10.199016      5.393586      3.773220
  C      -8.983960      4.962468      4.266836
  C      -8.443652      3.716600      3.859718
  C      -0.605367      1.805473      3.901367
  C      -0.354694      0.336946      3.734914
  C      -1.159759     -0.564221      3.136908
  C      -2.417815     -0.282426      2.441379
  N      -2.544863      0.868378      1.774857
  C      -3.717756      1.093446      1.132610
  N      -4.756532      0.286511      1.030691
  C      -4.654956     -0.901411      1.699741
  C      -5.739698     -1.811332      1.647376
  C      -5.681354     -2.999625      2.345202
  C      -4.542497     -3.320897      3.119948
  C      -3.469123     -2.454794      3.183459
  C      -3.491242     -1.235546      2.462616
  C      -3.035138     -0.470524      8.186474
  C      -4.142883      0.025887      9.069789
  C      -5.465119      0.087787      8.807507
  C      -6.161161     -0.458374      7.641691
  N      -5.671902     -1.552887      7.053661
  C      -6.363692     -2.057600      6.003898
  N      -7.511857     -1.635808      5.507303
  C      -8.032015     -0.510376      6.081983
  C      -9.246413      0.019734      5.579484
  C      -9.755272      1.192272      6.094401
  C      -9.079297      1.873980      7.132630
  C      -7.908217      1.366119      7.657065
  C      -7.364548      0.156990      7.156002
  H      -4.544983      5.146463      6.726586
  H      -4.991932      3.944088      7.943060
  H      -5.212901      2.255520      5.845774
  H      -6.495239      5.000458      5.324148
  H      -7.258301      0.271196      2.833334
  H     -10.962128      2.747153      1.733091
  H     -11.875080      4.956099      2.463209
  H     -10.610085      6.352910      4.096821
  H      -8.446317      5.579856      4.987083
  H       0.185620      2.384636      3.388136
  H      -1.553722      2.084829      3.432832
  H       0.530385     -0.044756      4.255045
  H      -0.887466     -1.617670      3.219026
  H      -3.794127      2.059816      0.621935
  H      -6.612378     -1.534064      1.054434
  H      -6.524066     -3.691463      2.315439
  H      -4.517116     -4.257881      3.678981
  H      -2.607994     -2.702052      3.805050
  H      -2.526496     -1.335418      8.653888
  H      -3.428069     -0.798657      7.219617
  H      -3.803238      0.501631      9.997158
  H      -6.091455      0.625668      9.522128
  H      -5.914485     -2.933848      5.525788
  H      -9.733850     -0.506186      4.758528
  H     -10.675177      1.613005      5.685167
  H      -9.482114      2.814688      7.510455
  H      -7.387431      1.910584      8.444947
  N      -3.321159      1.155011      5.490376
90
Coordinates from ORCA-job orca E -6199.524172790902
  N      -3.119806      3.630816      7.060446
  Mo     -2.230754      1.931575      6.494048
  N      -2.089308      0.637826      7.995868
  C      -1.093731      0.781536      9.055730
  C      -0.718336      2.245862      9.273799
  N      -0.524016      2.917658      7.985164
  C      -0.907155      4.333004      7.964031
  C      -2.423732      4.490847      8.018300
  C       0.752150      2.616923      7.330375
  C       0.619651      2.732672      5.814042
  N      -0.623132      2.135210      5.339490
  H      -2.657972      5.552551      7.811003
  H      -2.797982      4.295021      9.044941
  H      -0.541234      4.757293      7.018209
  H      -0.438475      4.904549      8.789549
  H       1.488872      2.227342      5.354510
  H       0.683245      3.793116      5.494207
  H       1.010007      1.578094      7.582792
  H       1.571452      3.265343      7.699252
  H      -1.481808      0.380492     10.007877
  H      -0.195471      0.178712      8.814509
  H      -1.552134      2.747321      9.784075
  H       0.175168      2.332107      9.922526
  C      -4.516235      4.061167      6.949146
  C      -5.362208      3.334664      5.960185
  C      -6.323726      3.927589      5.231125
  C      -7.195096      3.177692      4.323794
  N      -6.804189      1.960210      3.946398
  C      -7.600921      1.276777      3.095408
  N      -8.739937      1.674624      2.552412
  C      -9.178873      2.909214      2.936228
  C     -10.413691      3.386172      2.428174
  C     -10.907172      4.608621      2.833624
  C     -10.188442      5.402329      3.758079
  C      -8.975893      4.969547      4.255827
  C      -8.437835      3.721486      3.853282
  C      -0.615954      1.801363      3.903933
  C      -0.366025      0.333055      3.736050
  C      -1.171779     -0.567349      3.137809
  C      -2.430215     -0.280903      2.443043
  N      -2.554547      0.871613      1.779861
  C      -3.726515      1.099897      1.137933
  N      -4.766874      0.294924      1.035240
  C      -4.667174     -0.895563      1.700824
  C      -5.754691     -1.802791      1.648592
  C      -5.697289     -2.993283      2.342672
  C      -4.556947     -3.319974      3.113231
  C      -3.481593     -2.456050      3.177065
  C      -3.503663     -1.233703      2.461143
  C      -3.031707     -0.471673      8.198073
  C      -4.141068      0.021421      9.080858
  C      -5.461977      0.079646      8.815463
  C      -6.152642     -0.466813      7.646380
  N      -5.660630     -1.562341      7.061252
  C      -6.347415     -2.068564      6.009224
  N      -7.494001     -1.646790      5.508739
  C      -8.017738     -0.521538      6.081922
  C      -9.231500      0.005583      5.576259
  C      -9.743564      1.178711      6.089391
  C      -9.071848      1.860263      7.130374
  C      -7.901819      1.353063      7.658771
  C      -7.354429      0.147485      7.157655
  H      -4.546509      5.148103      6.731817
  H      -4.995844      3.946718      7.950583
  H      -5.218826      2.257161      5.853708
  H      -6.492237      5.003553      5.322016
  H      -7.250500      0.277934      2.827043
  H     -10.954669      2.751224      1.725234
  H     -11.862020      4.967498      2.445684
  H     -10.598277      6.361011      4.078461
  H      -8.438250      5.587387      4.974984
  H       0.175263      2.379219      3.390637
  H      -1.564125      2.081644      3.436339
  H       0.522194     -0.047826      4.253967
  H      -0.900184     -1.621836      3.218255
  H      -3.800375      2.066197      0.627923
  H      -6.629623     -1.521339      1.058586
  H      -6.542571     -3.683800      2.312555
  H      -4.533346     -4.258920      3.669330
  H      -2.620190     -2.707287      3.795825
  H      -2.519281     -1.333852      8.668034
  H      -3.424876     -0.803357      7.231696
  H      -3.804908      0.495985     10.009878
  H      -6.092391      0.613759      9.529826
  H      -5.895733     -2.942694      5.533120
  H      -9.716128     -0.522266      4.754318
  H     -10.663673      1.597085      5.678036
  H      -9.477416      2.800821      7.507454
  H      -7.385921      1.894522      8.450043
  N      -3.325953      1.149545      5.500448
90
Coordinates from ORCA-job orca E -6199.524251673391
  N      -3.133800      3.638184      7.088139
  Mo     -2.254713      1.935596      6.513317
  N      -2.095462      0.644485      8.015367
  C      -1.087493      0.788916      9.063410
  C      -0.706841      2.252744      9.274652
  N      -0.527932      2.924187      7.983298
  C      -0.912152      4.339078      7.967757
  C      -2.427930      4.496391      8.039839
  C       0.739520      2.625687      7.311015
  C       0.585109      2.740946      5.796152
  N      -0.661187      2.137718      5.338572
  H      -2.663640      5.558403      7.836001
  H      -2.791366      4.300460      9.070470
  H      -0.557963      4.764094      7.017585
  H      -0.433011      4.910420      8.787770
  H       1.450379      2.240427      5.324374
  H       0.639275      3.801716      5.475947
  H       1.004082      1.587884      7.560860
  H       1.562500      3.276720      7.667572
  H      -1.464645      0.389866     10.021273
  H      -0.192858      0.184563      8.812522
  H      -1.533226      2.755745      9.795550
  H       0.194474      2.338028      9.912671
  C      -4.528171      4.075063      6.984129
  C      -5.377046      3.358721      5.991496
  C      -6.330217      3.962294      5.259967
  C      -7.198050      3.226730      4.337511
  N      -6.803204      2.017084      3.938430
  C      -7.593614      1.350260      3.068400
  N      -8.730510      1.757441      2.527480
  C      -9.171611      2.985416      2.930360
  C     -10.401441      3.473431      2.420745
  C     -10.891762      4.693696      2.836482
  C     -10.174805      5.474027      3.773358
  C      -8.969028      5.028506      4.276446
  C      -8.434992      3.781882      3.864657
  C      -0.673186      1.809650      3.901967
  C      -0.394993      0.348390      3.719627
  C      -1.185479     -0.566239      3.122517
  C      -2.458269     -0.306215      2.444245
  N      -2.626218      0.855092      1.806619
  C      -3.812810      1.059446      1.183627
  N      -4.829246      0.225081      1.077060
  C      -4.684469     -0.975076      1.715944
  C      -5.744354     -1.913744      1.658727
  C      -5.640641     -3.116784      2.324794
  C      -4.479725     -3.425493      3.071015
  C      -3.431118     -2.530044      3.140214
  C      -3.500965     -1.293193      2.453092
  C      -3.031920     -0.468422      8.224865
  C      -4.146116      0.025462      9.101646
  C      -5.465200      0.078754      8.826802
  C      -6.143737     -0.478504      7.655646
  N      -5.648173     -1.583188      7.091606
  C      -6.324031     -2.102108      6.038438
  N      -7.463288     -1.684228      5.518523
  C      -7.990083     -0.549392      6.069188
  C      -9.196612     -0.026898      5.541963
  C      -9.713630      1.153006      6.034600
  C      -9.051791      1.848223      7.072906
  C      -7.887972      1.347126      7.620930
  C      -7.338073      0.132553      7.144103
  H      -4.553799      5.162507      6.772248
  H      -5.006011      3.957675      7.985268
  H      -5.237593      2.281180      5.880313
  H      -6.491675      5.038530      5.357528
  H      -7.238392      0.358147      2.779036
  H     -10.939449      2.849956      1.705290
  H     -11.841335      5.062452      2.444549
  H     -10.580385      6.432842      4.098818
  H      -8.432236      5.636470      5.004706
  H       0.097878      2.405859      3.378933
  H      -1.634881      2.074483      3.452379
  H       0.509222     -0.014917      4.221333
  H      -0.885310     -1.614213      3.187956
  H      -3.923802      2.033613      0.696601
  H      -6.635431     -1.646483      1.087939
  H      -6.464326     -3.832189      2.290461
  H      -4.418971     -4.376057      3.603911
  H      -2.553438     -2.768944      3.740499
  H      -2.515439     -1.324702      8.701144
  H      -3.422432     -0.808730      7.260572
  H      -3.816159      0.507921     10.028806
  H      -6.102892      0.616072      9.532599
  H      -5.871411     -2.986823      5.582521
  H      -9.673061     -0.565225      4.721917
  H     -10.629377      1.566261      5.608205
  H      -9.460671      2.793984      7.432897
  H      -7.379155      1.899902      8.410016
  N      -3.362728      1.152207      5.535295
90
Coordinates from ORCA-job orca E -6199.524135663978
  N      -3.128968      3.659468      7.111971
  Mo     -2.267150      1.948204      6.539320
  N      -2.089442      0.665547      8.047056
  C      -1.073255      0.815854      9.086578
  C      -0.684082      2.279708      9.281482
  N      -0.517251      2.940204      7.981916
  C      -0.895171      4.356533      7.961632
  C      -2.409454      4.520568      8.050762
  C       0.739717      2.630372      7.293838
  C       0.564769      2.737002      5.779373
  N      -0.689846      2.135164      5.341447
  H      -2.643353      5.582291      7.843241
  H      -2.761074      4.332092      9.087250
  H      -0.551283      4.773857      7.004138
  H      -0.403980      4.931143      8.772409
  H       1.420503      2.228512      5.299026
  H       0.617572      3.794978      5.451529
  H       0.999812      1.592087      7.545801
  H       1.571881      3.277354      7.636033
  H      -1.441356      0.424291     10.051584
  H      -0.182246      0.207468      8.831281
  H      -1.503986      2.789857      9.806979
  H       0.224495      2.368035      9.909396
  C      -4.519241      4.106758      7.013039
  C      -5.374281      3.391074      6.027159
  C      -6.316493      3.999865      5.285338
  C      -7.185953      3.270520      4.359538
  N      -6.798445      2.057312      3.962483
  C      -7.588012      1.398056      3.086247
  N      -8.717895      1.815314      2.538047
  C      -9.150497      3.048051      2.936229
  C     -10.371194      3.547642      2.415325
  C     -10.847982      4.777926      2.817542
  C     -10.126294      5.556610      3.752459
  C      -8.931846      5.096535      4.270529
  C      -8.412494      3.839134      3.873426
  C      -0.726961      1.809298      3.906760
  C      -0.449969      0.350188      3.715683
  C      -1.247132     -0.564755      3.128216
  C      -2.525085     -0.308306      2.462655
  N      -2.699791      0.851074      1.822448
  C      -3.895335      1.056648      1.217434
  N      -4.917015      0.227010      1.131808
  C      -4.768292     -0.968492      1.777101
  C      -5.836099     -1.898309      1.748675
  C      -5.730131     -3.096192      2.423013
  C      -4.557829     -3.408700      3.148051
  C      -3.501027     -2.521919      3.188931
  C      -3.573084     -1.290301      2.493159
  C      -3.008432     -0.460967      8.256386
  C      -4.146472      0.019931      9.110769
  C      -5.460079      0.046665      8.806875
  C      -6.095572     -0.532497      7.622816
  N      -5.556134     -1.626353      7.079141
  C      -6.189931     -2.168972      6.010567
  N      -7.324633     -1.785035      5.456055
  C      -7.895662     -0.661591      5.984406
  C      -9.102754     -0.176388      5.422739
  C      -9.671144      0.985136      5.901183
  C      -9.057360      1.704966      6.952174
  C      -7.891330      1.244533      7.529747
  C      -7.293125      0.042449      7.074667
  H      -4.536869      5.190738      6.794508
  H      -4.994419      3.999462      8.014060
  H      -5.242370      2.311356      5.926864
  H      -6.464427      5.078292      5.373890
  H      -7.236422      0.401996      2.796466
  H     -10.910718      2.926610      1.698047
  H     -11.788790      5.156973      2.413375
  H     -10.518525      6.526442      4.063715
  H      -8.390614      5.703518      4.996602
  H       0.031005      2.410334      3.369163
  H      -1.700411      2.072479      3.478403
  H       0.458353     -0.013621      4.206192
  H      -0.944953     -1.612576      3.190595
  H      -4.011132      2.030162      0.730470
  H      -6.734848     -1.627437      1.195984
  H      -6.559647     -3.803250      2.411771
  H      -4.493646     -4.355543      3.686528
  H      -2.613657     -2.763751      3.773697
  H      -2.483588     -1.303873      8.745675
  H      -3.377860     -0.816655      7.290175
  H      -3.843216      0.516244     10.039808
  H      -6.125629      0.574467      9.494262
  H      -5.704095     -3.048979      5.575857
  H      -9.541238     -0.730900      4.592410
  H     -10.589489      1.367319      5.451970
  H      -9.506127      2.636662      7.299298
  H      -7.418331      1.820456      8.328421
  N      -3.392875      1.160408      5.584910
90
Coordinates from ORCA-job orca E -6199.524368211069
  N      -3.141036      3.639910      7.105546
  Mo     -2.268395      1.935178      6.526039
  N      -2.096528      0.643049      8.025674
  C      -1.083780      0.787691      9.068772
  C      -0.700621      2.251314      9.276904
  N      -0.530035      2.923658      7.984586
  C      -0.914751      4.338430      7.974195
  C      -2.430351      4.495596      8.055778
  C       0.731926      2.625170      7.301586
  C       0.564954      2.742068      5.787564
  N      -0.684049      2.137108      5.339177
  H      -2.666536      5.558326      7.855709
  H      -2.787961      4.298073      9.088357
  H      -0.567339      4.765378      7.022364
  H      -0.429900      4.908072      8.792090
  H       1.427364      2.243382      5.308121
  H       0.614009      3.803389      5.468276
  H       0.997261      1.586707      7.548095
  H       1.558692      3.274513      7.652435
  H      -1.455792      0.389516     10.029386
  H      -0.190532      0.182454      8.813705
  H      -1.523857      2.754697      9.803329
  H       0.204572      2.336667      9.909938
  C      -4.533697      4.081591      7.000790
  C      -5.377663      3.369196      6.001553
  C      -6.323724      3.975814      5.263245
  C      -7.180864      3.246444      4.325525
  N      -6.770600      2.047976      3.906826
  C      -7.552244      1.386197      3.025274
  N      -8.696126      1.786693      2.493868
  C      -9.153244      3.001579      2.917115
  C     -10.390662      3.480542      2.417324
  C     -10.893346      4.690439      2.847467
  C     -10.182021      5.468985      3.790297
  C      -8.971263      5.029791      4.287596
  C      -8.424710      3.793860      3.860947
  C      -0.709783      1.815895      3.902658
  C      -0.414991      0.360392      3.708659
  C      -1.200381     -0.562037      3.117133
  C      -2.482272     -0.316243      2.453648
  N      -2.672676      0.846995      1.825384
  C      -3.870630      1.042190      1.221800
  N      -4.880707      0.199097      1.127779
  C      -4.715166     -1.001743      1.759782
  C      -5.769806     -1.946681      1.720480
  C      -5.645202     -3.151647      2.379024
  C      -4.467327     -3.456310      3.099366
  C      -3.423663     -2.554102      3.151640
  C      -3.515275     -1.314191      2.472567
  C      -3.024128     -0.477373      8.231764
  C      -4.146689      0.008732      9.102811
  C      -5.463454      0.063697      8.815080
  C      -6.129013     -0.480467      7.630291
  N      -5.630382     -1.581005      7.061460
  C      -6.296381     -2.087645      5.995339
  N      -7.428017     -1.661098      5.465826
  C      -7.957984     -0.530596      6.021829
  C      -9.159797     -0.001626      5.489756
  C      -9.684925      1.168642      5.995748
  C      -9.031599      1.853285      7.046426
  C      -7.870121      1.349060      7.595847
  C      -7.316459      0.138128      7.111339
  H      -4.555336      5.168693      6.790805
  H      -5.015507      3.963529      7.999040
  H      -5.235776      2.291863      5.890350
  H      -6.486792      5.051557      5.366435
  H      -7.179596      0.406372      2.712605
  H     -10.922646      2.859541      1.695318
  H     -11.847582      5.053268      2.460962
  H     -10.595335      6.422558      4.124438
  H      -8.438791      5.636062      5.020624
  H       0.044808      2.426804      3.371539
  H      -1.682368      2.069348      3.469243
  H       0.497687      0.006214      4.200430
  H      -0.886165     -1.606331      3.176375
  H      -3.999447      2.018282      0.742559
  H      -6.673905     -1.682109      1.170858
  H      -6.464769     -3.871461      2.358745
  H      -4.389205     -4.409051      3.625830
  H      -2.532258     -2.790713      3.732542
  H      -2.503165     -1.329304      8.709697
  H      -3.406968     -0.821265      7.266212
  H      -3.825065      0.486874     10.035291
  H      -6.108741      0.595772      9.518118
  H      -5.841832     -2.971423      5.537014
  H      -9.628497     -0.529563      4.658728
  H     -10.598450      1.585161      5.568090
  H      -9.445255      2.793353      7.414558
  H      -7.365972      1.896341      8.393469
  N      -3.382087      1.148660      5.557212
90
Coordinates from ORCA-job orca E -6199.524370565382
  N      -3.153648      3.649359      7.100633
  Mo     -2.283507      1.942466      6.522029
  N      -2.107376      0.649945      8.021005
  C      -1.093359      0.793796      9.062195
  C      -0.709778      2.257264      9.270174
  N      -0.542299      2.930777      7.978550
  C      -0.927120      4.345576      7.970555
  C      -2.442595      4.501959      8.053229
  C       0.717762      2.633392      7.292432
  C       0.547347      2.751375      5.779281
  N      -0.701545      2.145174      5.332786
  H      -2.679098      5.565166      7.856480
  H      -2.799688      4.301705      9.085230
  H      -0.580708      4.774132      7.019231
  H      -0.441929      4.914135      8.789014
  H       1.408769      2.253528      5.298264
  H       0.595103      3.812573      5.460414
  H       0.983737      1.594804      7.537358
  H       1.545252      3.282601      7.641731
  H      -1.464302      0.395512     10.022820
  H      -0.200962      0.188196      8.805753
  H      -1.531016      2.760551      9.798684
  H       0.196583      2.342102      9.900728
  C      -4.544957      4.097368      6.995597
  C      -5.389453      3.410437      5.978169
  C      -6.328804      4.040061      5.250923
  C      -7.196226      3.338194      4.303840
  N      -6.794405      2.149087      3.854614
  C      -7.593120      1.504291      2.975230
  N      -8.747543      1.913969      2.474878
  C      -9.195052      3.121867      2.929326
  C     -10.443786      3.608775      2.466455
  C     -10.939466      4.808470      2.933244
  C     -10.210323      5.567599      3.878429
  C      -8.987767      5.121555      4.339154
  C      -8.447579      3.896437      3.873332
  C      -0.724232      1.807866      3.898919
  C      -0.403398      0.354705      3.721972
  C      -1.170232     -0.589330      3.139434
  C      -2.456194     -0.376184      2.469306
  N      -2.665153      0.772697      1.821121
  C      -3.861587      0.932901      1.203052
  N      -4.851141      0.065692      1.110163
  C      -4.664726     -1.122555      1.760417
  C      -5.695444     -2.093071      1.720352
  C      -5.550096     -3.286538      2.395550
  C      -4.374514     -3.553777      3.133741
  C      -3.353499     -2.626247      3.186670
  C      -3.466868     -1.396793      2.491833
  C      -3.027367     -0.477980      8.222162
  C      -4.154118     -0.001204      9.092448
  C      -5.468451      0.049618      8.798706
  C      -6.124475     -0.491468      7.607470
  N      -5.614383     -1.584386      7.032974
  C      -6.271776     -2.089062      5.960637
  N      -7.405042     -1.668332      5.429912
  C      -7.947994     -0.547415      5.993488
  C      -9.153452     -0.025956      5.462244
  C      -9.690001      1.137436      5.974859
  C      -9.047807      1.816611      7.035058
  C      -7.884077      1.316620      7.584751
  C      -7.315744      0.119397      7.089511
  H      -4.560317      5.188543      6.805472
  H      -5.031998      3.964396      7.989773
  H      -5.259163      2.333842      5.849860
  H      -6.484833      5.113298      5.378546
  H      -7.225137      0.534453      2.633799
  H     -10.991844      2.998931      1.745507
  H     -11.904021      5.174913      2.577675
  H     -10.620418      6.508131      4.245289
  H      -8.442604      5.711104      5.076214
  H       0.019089      2.425108      3.359744
  H      -1.700925      2.039913      3.463987
  H       0.513209      0.022371      4.221784
  H      -0.837781     -1.626266      3.213943
  H      -4.004498      1.896719      0.704872
  H      -6.599206     -1.857031      1.156093
  H      -6.352339     -4.025879      2.375203
  H      -4.280035     -4.497757      3.673296
  H      -2.463743     -2.834788      3.780201
  H      -2.500468     -1.326786      8.699857
  H      -3.406522     -0.823209      7.255040
  H      -3.838737      0.469059     10.030795
  H      -6.120630      0.571656      9.502621
  H      -5.804960     -2.960847      5.494577
  H      -9.614267     -0.551286      4.624822
  H     -10.604963      1.550651      5.546162
  H      -9.470637      2.751196      7.408732
  H      -7.387751      1.859366      8.387968
  N      -3.398561      1.154601      5.555635
90
Coordinates from ORCA-job orca E -6199.524498695836
  N      -3.156093      3.657545      7.105680
  Mo     -2.293273      1.947139      6.522603
  N      -2.117640      0.652928      8.019191
  C      -1.100985      0.793546      9.058179
  C      -0.711937      2.255510      9.265153
  N      -0.544307      2.929971      7.973897
  C      -0.924888      4.345691      7.969237
  C      -2.439541      4.506235      8.057044
  C       0.712841      2.629070      7.284215
  C       0.538358      2.746935      5.771679
  N      -0.712615      2.142653      5.330614
  H      -2.672770      5.570653      7.862421
  H      -2.794263      4.306840      9.089930
  H      -0.580429      4.774922      7.017389
  H      -0.434549      4.910930      8.786724
  H       1.398699      2.249178      5.287940
  H       0.586053      3.808395      5.452817
  H       0.977662      1.590009      7.528929
  H       1.542894      3.276158      7.630664
  H      -1.471521      0.397457     10.020125
  H      -0.211182      0.184365      8.801028
  H      -1.529956      2.761555      9.795974
  H       0.195581      2.336088      9.894722
  C      -4.546872      4.109532      7.004132
  C      -5.393274      3.423307      5.986852
  C      -6.340022      4.050576      5.267609
  C      -7.207696      3.348225      4.319000
  N      -6.792619      2.172424      3.844793
  C      -7.588834      1.532682      2.958224
  N      -8.752167      1.936340      2.473504
  C      -9.211804      3.129444      2.952349
  C     -10.466311      3.612275      2.501215
  C     -10.972003      4.799125      2.989532
  C     -10.247269      5.548894      3.944588
  C      -9.018680      5.107351      4.393428
  C      -8.468259      3.896421      3.905619
  C      -0.739172      1.797592      3.900365
  C      -0.404168      0.348341      3.729341
  C      -1.163147     -0.605755      3.153580
  C      -2.451538     -0.406229      2.487790
  N      -2.679271      0.746118      1.852082
  C      -3.880028      0.896297      1.242395
  N      -4.860147      0.018166      1.150098
  C      -4.655273     -1.173808      1.788334
  C      -5.676754     -2.155141      1.749199
  C      -5.511336     -3.353926      2.410133
  C      -4.324753     -3.615478      3.134208
  C      -3.313503     -2.676249      3.187341
  C      -3.447709     -1.440848      2.506459
  C      -3.037892     -0.475848      8.216313
  C      -4.168298     -0.002801      9.084017
  C      -5.481975      0.052173      8.782361
  C      -6.129721     -0.473994      7.579335
  N      -5.616575     -1.560337      6.995854
  C      -6.258785     -2.044467      5.905424
  N      -7.380238     -1.607739      5.362881
  C      -7.926032     -0.492339      5.934956
  C      -9.118785      0.044597      5.391712
  C      -9.660126      1.199200      5.916503
  C      -9.031780      1.859914      6.997698
  C      -7.878763      1.347641      7.557113
  C      -7.309289      0.152417      7.052879
  H      -4.560210      5.201459      6.813046
  H      -5.032423      3.978318      8.000152
  H      -5.255334      2.347932      5.852306
  H      -6.501529      5.123772      5.402473
  H      -7.208771      0.576561      2.592538
  H     -11.008206      3.012931      1.769164
  H     -11.940042      5.164440      2.641540
  H     -10.663848      6.482325      4.326222
  H      -8.475670      5.691295      5.136424
  H      -0.005833      2.420778      3.354120
  H      -1.721171      2.015924      3.470384
  H       0.520933      0.028264      4.224578
  H      -0.816783     -1.639616      3.227006
  H      -4.040358      1.864574      0.756331
  H      -6.589983     -1.923023      1.197177
  H      -6.306312     -4.102622      2.389297
  H      -4.214799     -4.563820      3.663304
  H      -2.415602     -2.880944      3.770246
  H      -2.512022     -1.325438      8.693405
  H      -3.414439     -0.819379      7.247840
  H      -3.856850      0.461275     10.026934
  H      -6.137903      0.571080      9.485437
  H      -5.791196     -2.914301      5.436048
  H      -9.567940     -0.464572      4.538278
  H     -10.568228      1.620285      5.482606
  H      -9.457752      2.788669      7.380939
  H      -7.393127      1.876598      8.376788
  N      -3.408564      1.161207      5.556028
90
Coordinates from ORCA-job orca E -6199.524611766775
  N      -3.163197      3.654165      7.113294
  Mo     -2.301616      1.943723      6.533951
  N      -2.111311      0.651289      8.031157
  C      -1.093030      0.796562      9.067982
  C      -0.707050      2.260186      9.270496
  N      -0.547482      2.930975      7.976075
  C      -0.930077      4.346502      7.969290
  C      -2.445089      4.505357      8.062513
  C       0.706905      2.628335      7.280650
  C       0.525145      2.744818      5.768187
  N      -0.728620      2.140013      5.332457
  H      -2.681411      5.569214      7.868651
  H      -2.794881      4.304118      9.097175
  H      -0.590278      4.773791      7.014979
  H      -0.438346      4.914685      8.783925
  H       1.382509      2.244404      5.281069
  H       0.570812      3.805706      5.447151
  H       0.969985      1.588637      7.524418
  H       1.539768      3.274215      7.623266
  H      -1.460149      0.401238     10.031714
  H      -0.201852      0.189298      8.809186
  H      -1.525861      2.765258      9.802817
  H       0.203790      2.346471      9.895696
  C      -4.555538      4.098779      7.014248
  C      -5.388938      3.415590      5.985557
  C      -6.336309      4.041792      5.266236
  C      -7.186628      3.341758      4.300458
  N      -6.745078      2.184767      3.803146
  C      -7.522344      1.550984      2.896771
  N      -8.689671      1.944089      2.412465
  C      -9.175707      3.117311      2.913006
  C     -10.436750      3.584096      2.463033
  C     -10.967696      4.750984      2.970493
  C     -10.261892      5.497559      3.943527
  C      -9.028539      5.069568      4.393030
  C      -8.453575      3.877099      3.887286
  C      -0.761592      1.797126      3.902320
  C      -0.425404      0.348002      3.729068
  C      -1.185315     -0.605047      3.152831
  C      -2.470998     -0.404334      2.483963
  N      -2.695038      0.749602      1.849263
  C      -3.898299      0.908999      1.246328
  N      -4.886134      0.039302      1.161588
  C      -4.687918     -1.152201      1.801554
  C      -5.717998     -2.123517      1.770371
  C      -5.558305     -3.324297      2.428809
  C      -4.369869     -3.595973      3.145076
  C      -3.350619     -2.665734      3.192161
  C      -3.476683     -1.430323      2.510198
  C      -3.021743     -0.484617      8.230362
  C      -4.154826     -0.019818      9.099399
  C      -5.467892      0.037527      8.794642
  C      -6.111974     -0.475607      7.584197
  N      -5.601248     -1.558273      6.993177
  C      -6.239915     -2.027629      5.893365
  N      -7.356364     -1.581136      5.348370
  C      -7.900520     -0.470029      5.928997
  C      -9.090032      0.076893      5.386943
  C      -9.632588      1.224276      5.924688
  C      -9.007373      1.871673      7.015358
  C      -7.857095      1.351429      7.572633
  C      -7.288058      0.159137      7.057959
  H      -4.576034      5.190866      6.834361
  H      -5.043960      3.952912      8.004950
  H      -5.235873      2.343746      5.838596
  H      -6.510056      5.111377      5.411883
  H      -7.123108      0.604637      2.517497
  H     -10.962933      2.988825      1.715435
  H     -11.940213      5.104231      2.622552
  H     -10.697120      6.418068      4.338776
  H      -8.500443      5.649376      5.150451
  H      -0.035306      2.424200      3.349872
  H      -1.748463      2.012348      3.481123
  H       0.495895      0.025745      4.225911
  H      -0.842611     -1.639024      3.229587
  H      -4.054775      1.879015      0.762609
  H      -6.631230     -1.882938      1.226059
  H      -6.358439     -4.065375      2.412994
  H      -4.263546     -4.545059      3.673123
  H      -2.450600     -2.878681      3.769266
  H      -2.488618     -1.329402      8.706784
  H      -3.395603     -0.831610      7.262664
  H      -3.845601      0.438142     10.046202
  H      -6.125548      0.550935      9.499804
  H      -5.776277     -2.899489      5.420619
  H      -9.536983     -0.420526      4.525810
  H     -10.538474      1.652433      5.492745
  H      -9.433995      2.795512      7.408320
  H      -7.372665      1.872579      8.400091
  N      -3.422312      1.150228      5.578917
90
Coordinates from ORCA-job orca E -6199.524813859907
  N      -3.165917      3.668388      7.114698
  Mo     -2.314637      1.952625      6.534447
  N      -2.124586      0.658225      8.029822
  C      -1.104101      0.798638      9.064729
  C      -0.710896      2.260344      9.266434
  N      -0.551950      2.931539      7.972272
  C      -0.928410      4.348760      7.968211
  C      -2.442548      4.513835      8.064779
  C       0.698781      2.624311      7.272452
  C       0.512266      2.743051      5.760821
  N      -0.744590      2.142278      5.329023
  H      -2.674621      5.579139      7.874006
  H      -2.791253      4.311938      9.099556
  H      -0.588936      4.775944      7.013772
  H      -0.432416      4.913654      8.782558
  H       1.366417      2.241236      5.270176
  H       0.559780      3.804102      5.441073
  H       0.958516      1.583375      7.514333
  H       1.535406      3.266546      7.612722
  H      -1.471657      0.405323     10.029034
  H      -0.216476      0.186909      8.804736
  H      -1.525362      2.768970      9.801367
  H       0.201862      2.341927      9.888969
  C      -4.556778      4.119244      7.017883
  C      -5.387244      3.455846      5.973466
  C      -6.334303      4.094860      5.265518
  C      -7.182318      3.412009      4.286341
  N      -6.730503      2.273884      3.756681
  C      -7.511733      1.648005      2.847472
  N      -8.691503      2.034691      2.388720
  C      -9.187152      3.189603      2.922414
  C     -10.462469      3.646263      2.503376
  C     -11.004629      4.791407      3.047908
  C     -10.296872      5.524589      4.029562
  C      -9.049804      5.106617      4.449421
  C      -8.462585      3.937736      3.903909
  C      -0.782923      1.791865      3.900540
  C      -0.427176      0.346523      3.730966
  C      -1.177011     -0.620621      3.164169
  C      -2.474336     -0.443481      2.509577
  N      -2.729546      0.707981      1.882247
  C      -3.942583      0.844642      1.293132
  N      -4.912053     -0.046187      1.213738
  C      -4.679774     -1.237761      1.842276
  C      -5.686832     -2.232852      1.812150
  C      -5.491223     -3.436363      2.455707
  C      -4.289258     -3.686602      3.157042
  C      -3.292639     -2.732139      3.204314
  C      -3.455503     -1.492978      2.536956
  C      -3.032572     -0.480996      8.223685
  C      -4.170968     -0.020937      9.088132
  C      -5.481028      0.036836      8.772711
  C      -6.112745     -0.471727      7.553682
  N      -5.595190     -1.552310      6.964555
  C      -6.220543     -2.017766      5.855653
  N      -7.329886     -1.568578      5.298674
  C      -7.882767     -0.461437      5.878882
  C      -9.067311      0.085433      5.326179
  C      -9.618954      1.228853      5.864092
  C      -9.008454      1.870380      6.966411
  C      -7.863283      1.349274      7.533877
  C      -7.284597      0.163021      7.018192
  H      -4.573018      5.214253      6.854716
  H      -5.049538      3.960004      8.004600
  H      -5.233132      2.387102      5.806863
  H      -6.512747      5.159914      5.434517
  H      -7.101097      0.720694      2.436436
  H     -10.991100      3.059488      1.750440
  H     -11.988633      5.135915      2.724631
  H     -10.742004      6.425169      4.455898
  H      -8.520541      5.674717      5.214757
  H      -0.070238      2.426551      3.339431
  H      -1.775730      1.991359      3.486452
  H       0.502808      0.039942      4.221870
  H      -0.816608     -1.648341      3.240995
  H      -4.124310      1.812676      0.815066
  H      -6.611612     -2.008517      1.279842
  H      -6.273465     -4.196610      2.439770
  H      -4.154601     -4.638243      3.673987
  H      -2.382028     -2.929595      3.769903
  H      -2.498203     -1.324278      8.701808
  H      -3.401741     -0.828302      7.254129
  H      -3.869311      0.430403     10.040396
  H      -6.145891      0.544633      9.475118
  H      -5.748956     -2.884654      5.383157
  H      -9.502936     -0.408191      4.456893
  H     -10.520737      1.657648      5.423703
  H      -9.441650      2.791529      7.359440
  H      -7.389444      1.866180      8.368980
  N      -3.439849      1.162506      5.581977
90
Coordinates from ORCA-job orca E -6199.525007218986
  N      -3.180355      3.675502      7.123931
  Mo     -2.334668      1.955733      6.544160
  N      -2.133787      0.661962      8.037955
  C      -1.108147      0.802695      9.067232
  C      -0.713326      2.264441      9.264733
  N      -0.562254      2.934765      7.969303
  C      -0.937785      4.352236      7.966614
  C      -2.451239      4.518983      8.070816
  C       0.683419      2.626204      7.261407
  C       0.486798      2.744020      5.751275
  N      -0.772708      2.142975      5.329171
  H      -2.682757      5.584620      7.881553
  H      -2.795185      4.317601      9.107074
  H      -0.602908      4.778667      7.010260
  H      -0.436879      4.917017      8.777942
  H       1.337947      2.243724      5.254522
  H       0.531355      3.805154      5.431541
  H       0.944786      1.585505      7.502442
  H       1.522325      3.268666      7.595194
  H      -1.471691      0.411386     10.033790
  H      -0.222540      0.189664      8.804194
  H      -1.523310      2.774021      9.804599
  H       0.203219      2.345567      9.881040
  C      -4.571804      4.129756      7.030954
  C      -5.397918      3.489946      5.967397
  C      -6.343069      4.142107      5.269295
  C      -7.182648      3.475554      4.271802
  N      -6.717602      2.356314      3.714893
  C      -7.495336      1.737657      2.796462
  N      -8.681792      2.119610      2.350771
  C      -9.189429      3.257104      2.911092
  C     -10.472062      3.707087      2.507436
  C     -11.028729      4.829906      3.083870
  C     -10.329016      5.545840      4.083391
  C      -9.074206      5.135901      4.487312
  C      -8.471536      3.991615      3.907843
  C      -0.822494      1.786777      3.902380
  C      -0.447487      0.346020      3.733548
  C      -1.186237     -0.635446      3.175560
  C      -2.495049     -0.485142      2.535548
  N      -2.786677      0.664003      1.920136
  C      -4.008354      0.773588      1.344009
  N      -4.952810     -0.143984      1.262505
  C      -4.679127     -1.337844      1.870126
  C      -5.654054     -2.364367      1.827490
  C      -5.415999     -3.571899      2.448956
  C      -4.203334     -3.794399      3.141722
  C      -3.237602     -2.808916      3.200535
  C      -3.443756     -1.564368      2.555023
  C      -3.032239     -0.486199      8.227459
  C      -4.174187     -0.041673      9.094930
  C      -5.481981      0.018407      8.772167
  C      -6.102172     -0.466750      7.537379
  N      -5.578358     -1.535334      6.931875
  C      -6.186650     -1.973478      5.802784
  N      -7.284628     -1.506368      5.237974
  C      -7.846005     -0.413438      5.837247
  C      -9.022078      0.147184      5.280851
  C      -9.584486      1.274488      5.842115
  C      -8.991827      1.886083      6.971004
  C      -7.853555      1.351799      7.540116
  C      -7.265774      0.181372      7.001384
  H      -4.585021      5.228415      6.888647
  H      -5.069640      3.952821      8.012890
  H      -5.240769      2.425544      5.777446
  H      -6.527595      5.202549      5.460868
  H      -7.070273      0.830323      2.358437
  H     -10.995307      3.132226      1.741895
  H     -12.018927      5.168413      2.773507
  H     -10.786608      6.426183      4.536230
  H      -8.550882      5.690020      5.266703
  H      -0.126372      2.429737      3.330369
  H      -1.822643      1.970270      3.500130
  H       0.493179      0.055199      4.215517
  H      -0.804653     -1.655859      3.249377
  H      -4.221355      1.741186      0.878343
  H      -6.589547     -2.160480      1.303902
  H      -6.173476     -4.357604      2.422442
  H      -4.035755     -4.749531      3.642530
  H      -2.318538     -2.987005      3.758439
  H      -2.489466     -1.326436      8.701868
  H      -3.399870     -0.832210      7.256546
  H      -3.878811      0.392808     10.056816
  H      -6.153377      0.511546      9.478960
  H      -5.709038     -2.829177      5.317745
  H      -9.443662     -0.323465      4.391923
  H     -10.480767      1.713273      5.400591
  H      -9.432357      2.796019      7.382337
  H      -7.392575      1.845626      8.394917
  N      -3.462832      1.161826      5.598512
90
Coordinates from ORCA-job orca E -6199.525182066604
  N      -3.184097      3.687793      7.124430
  Mo     -2.346345      1.965539      6.541132
  N      -2.143832      0.664700      8.028695
  C      -1.117056      0.799334      9.057455
  C      -0.717295      2.259350      9.257847
  N      -0.567555      2.932989      7.963911
  C      -0.937601      4.352035      7.966543
  C      -2.450364      4.524358      8.073826
  C       0.675179      2.621525      7.251696
  C       0.475133      2.745019      5.742511
  N      -0.787629      2.149343      5.323083
  H      -2.678377      5.591595      7.889666
  H      -2.792958      4.319605      9.109856
  H      -0.602653      4.780390      7.011113
  H      -0.433505      4.912070      8.779125
  H       1.322999      2.243426      5.241717
  H       0.522075      3.806946      5.425942
  H       0.932005      1.578654      7.488067
  H       1.517720      3.258829      7.585977
  H      -1.481303      0.407246     10.023437
  H      -0.233958      0.183521      8.792521
  H      -1.524431      2.769762      9.800974
  H       0.201079      2.336154      9.871778
  C      -4.576167      4.142716      7.037166
  C      -5.395617      3.524307      5.955348
  C      -6.347917      4.184041      5.274448
  C      -7.179536      3.531669      4.260549
  N      -6.695850      2.439719      3.666542
  C      -7.467105      1.833517      2.733539
  N      -8.663546      2.206201      2.306786
  C      -9.189557      3.315916      2.904682
  C     -10.483318      3.752805      2.522730
  C     -11.059837      4.843523      3.140003
  C     -10.369591      5.539180      4.160234
  C      -9.103683      5.142980      4.542461
  C      -8.480599      4.032394      3.920559
  C      -0.842699      1.786281      3.898392
  C      -0.451271      0.349616      3.732742
  C      -1.183954     -0.644478      3.188538
  C      -2.504539     -0.517220      2.567827
  N      -2.829349      0.629690      1.964880
  C      -4.062765      0.719833      1.411718
  N      -4.989504     -0.216606      1.337872
  C      -4.680171     -1.410695      1.927647
  C      -5.631859     -2.458898      1.885291
  C      -5.358103     -3.667487      2.489855
  C      -4.132785     -3.868671      3.167037
  C      -3.189060     -2.861904      3.224617
  C      -3.430623     -1.616129      2.593606
  C      -3.037515     -0.489150      8.209697
  C      -4.183858     -0.055981      9.077184
  C      -5.490039      0.006183      8.747999
  C      -6.102867     -0.465904      7.504118
  N      -5.581545     -1.533995      6.895788
  C      -6.180428     -1.958043      5.756476
  N      -7.268183     -1.477270      5.183438
  C      -7.829766     -0.387320      5.787820
  C      -8.997108      0.184911      5.224753
  C      -9.559973      1.309074      5.791723
  C      -8.976162      1.906026      6.933220
  C      -7.846391      1.360498      7.508419
  C      -7.258212      0.193080      6.963536
  H      -4.590110      5.244155      6.917907
  H      -5.077819      3.944716      8.013079
  H      -5.227302      2.466784      5.737601
  H      -6.546652      5.236469      5.493922
  H      -7.028291      0.945737      2.268880
  H     -10.999595      3.192778      1.741629
  H     -12.058949      5.171200      2.847102
  H     -10.843386      6.392434      4.646534
  H      -8.587557      5.680221      5.338325
  H      -0.160230      2.435930      3.317438
  H      -1.848596      1.954659      3.504383
  H       0.498470      0.072237      4.205128
  H      -0.786272     -1.658625      3.262189
  H      -4.303978      1.687164      0.959633
  H      -6.578724     -2.270256      1.376521
  H      -6.097148     -4.470708      2.462450
  H      -3.937305     -4.824507      3.656191
  H      -2.259716     -3.025201      3.769645
  H      -2.490973     -1.328771      8.680947
  H      -3.401370     -0.831492      7.236309
  H      -3.894210      0.367647     10.045563
  H      -6.165583      0.491665      9.456109
  H      -5.703298     -2.812703      5.269350
  H      -9.411473     -0.274427      4.326528
  H     -10.449574      1.756882      5.345587
  H      -9.416717      2.813753      7.349580
  H      -7.391665      1.843518      8.372424
  N      -3.476847      1.175985      5.594478
90
Coordinates from ORCA-job orca E -6199.525258304216
  N      -3.183137      3.702384      7.108267
  Mo     -2.351335      1.975729      6.532332
  N      -2.153552      0.668271      8.015207
  C      -1.132654      0.798762      9.050501
  C      -0.729277      2.257917      9.253084
  N      -0.573826      2.930562      7.958949
  C      -0.934954      4.352089      7.959127
  C      -2.447016      4.534714      8.059938
  C       0.669609      2.610834      7.251344
  C       0.476419      2.738303      5.741870
  N      -0.789331      2.151624      5.317922
  H      -2.668342      5.603196      7.875136
  H      -2.793285      4.330904      9.095216
  H      -0.592771      4.777552      7.005025
  H      -0.432148      4.909500      8.774262
  H       1.321919      2.230369      5.243381
  H       0.531326      3.800174      5.426472
  H       0.914962      1.564692      7.485276
  H       1.515869      3.239656      7.592162
  H      -1.503937      0.407834     10.014438
  H      -0.250313      0.179301      8.790653
  H      -1.537902      2.770136      9.793097
  H       0.187993      2.333157      9.869228
  C      -4.575836      4.157410      7.027669
  C      -5.393552      3.560189      5.933238
  C      -6.358489      4.224114      5.274164
  C      -7.191158      3.577941      4.256125
  N      -6.704413      2.497810      3.644027
  C      -7.475789      1.901810      2.704601
  N      -8.675013      2.276241      2.286987
  C      -9.205517      3.372409      2.904531
  C     -10.504093      3.806320      2.535364
  C     -11.087497      4.878778      3.176871
  C     -10.398913      5.559948      4.208598
  C      -9.127578      5.167649      4.576866
  C      -8.497791      4.074590      3.930608
  C      -0.838964      1.791798      3.892241
  C      -0.440470      0.356882      3.727138
  C      -1.168155     -0.647336      3.194460
  C      -2.497592     -0.547198      2.590633
  N      -2.861184      0.598407      2.007795
  C      -4.108974      0.669115      1.487180
  N      -5.015068     -0.288199      1.419538
  C      -4.664182     -1.483958      1.980844
  C      -5.586944     -2.557310      1.932175
  C      -5.272403     -3.767405      2.513574
  C      -4.035538     -3.943864      3.176396
  C      -3.118796     -2.913119      3.237469
  C      -3.399108     -1.666728      2.623873
  C      -3.039958     -0.493656      8.184054
  C      -4.193799     -0.079544      9.051564
  C      -5.499792     -0.017945      8.720367
  C      -6.112228     -0.470324      7.468664
  N      -5.597704     -1.533251      6.846354
  C      -6.197442     -1.935973      5.699320
  N      -7.281502     -1.440286      5.131853
  C      -7.839175     -0.358785      5.753582
  C      -9.004573      0.226879      5.199233
  C      -9.564482      1.342426      5.785097
  C      -8.979760      1.918066      6.937058
  C      -7.851621      1.360522      7.502970
  C      -7.265372      0.200791      6.938265
  H      -4.588972      5.260312      6.932011
  H      -5.080505      3.938225      7.996261
  H      -5.215343      2.509679      5.689106
  H      -6.569275      5.269218      5.514631
  H      -7.041235      1.008596      2.241757
  H     -11.019895      3.257034      1.745850
  H     -12.090529      5.203712      2.894485
  H     -10.878535      6.398652      4.715385
  H      -8.612557      5.692547      5.381974
  H      -0.159725      2.446259      3.312095
  H      -1.845725      1.955128      3.497742
  H       0.514433      0.086171      4.191237
  H      -0.755540     -1.654736      3.270466
  H      -4.385734      1.639126      1.062170
  H      -6.544269     -2.385663      1.439623
  H      -5.987679     -4.590644      2.479411
  H      -3.808223     -4.900266      3.649965
  H      -2.179416     -3.059664      3.769876
  H      -2.487668     -1.331157      8.651783
  H      -3.395876     -0.831286      7.206365
  H      -3.911165      0.329759     10.028148
  H      -6.177483      0.452929      9.436171
  H      -5.724399     -2.786705      5.199462
  H      -9.419564     -0.215526      4.292978
  H     -10.451957      1.801755      5.346475
  H      -9.419207      2.818219      7.370103
  H      -7.396575      1.827876      8.376430
  N      -3.479968      1.189415      5.579783
90
Coordinates from ORCA-job orca E -6199.525322006049
  N      -3.191542      3.693523      7.118784
  Mo     -2.359516      1.968110      6.537215
  N      -2.153159      0.662517      8.020344
  C      -1.127341      0.795560      9.050207
  C      -0.724921      2.254914      9.250529
  N      -0.576252      2.929109      7.956510
  C      -0.942719      4.349139      7.961614
  C      -2.455066      4.525784      8.070101
  C       0.664702      2.615615      7.241425
  C       0.461341      2.742690      5.732582
  N      -0.803374      2.148792      5.315770
  H      -2.679720      5.594158      7.888204
  H      -2.797205      4.320091      9.106402
  H      -0.607037      4.778024      7.006626
  H      -0.436820      4.906552      8.774989
  H       1.307535      2.241322      5.228459
  H       0.508208      3.805333      5.418007
  H       0.918426      1.571245      7.474796
  H       1.509736      3.249630      7.576179
  H      -1.493366      0.404692     10.016367
  H      -0.245153      0.177443      8.786482
  H      -1.531151      2.766200      9.795081
  H       0.194660      2.330501      9.863259
  C      -4.583707      4.147342      7.036250
  C      -5.395191      3.550649      5.936949
  C      -6.356649      4.216514      5.274596
  C      -7.184319      3.580623      4.245882
  N      -6.693492      2.508344      3.622332
  C      -7.462535      1.920867      2.675392
  N      -8.661748      2.296579      2.259733
  C      -9.196323      3.384170      2.888725
  C     -10.495387      3.818295      2.522220
  C     -11.079736      4.887342      3.168509
  C     -10.391716      5.564346      4.202946
  C      -9.121388      5.169338      4.571892
  C      -8.490817      4.079260      3.921521
  C      -0.863629      1.789496      3.890653
  C      -0.452116      0.359999      3.715838
  C      -1.180288     -0.646578      3.189315
  C      -2.520391     -0.546152      2.609639
  N      -2.897640      0.602937      2.042769
  C      -4.154897      0.673356      1.544513
  N      -5.060603     -0.284870      1.488551
  C      -4.696824     -1.483235      2.036513
  C      -5.620132     -2.556747      2.004737
  C      -5.289705     -3.771283      2.567410
  C      -4.034753     -3.953176      3.193454
  C      -3.118408     -2.921510      3.241012
  C      -3.416837     -1.669397      2.648208
  C      -3.034362     -0.502318      8.190531
  C      -4.189919     -0.090833      9.056530
  C      -5.493493     -0.028635      8.717283
  C      -6.092266     -0.469517      7.454944
  N      -5.557236     -1.514831      6.820232
  C      -6.141085     -1.906536      5.661140
  N      -7.225441     -1.415076      5.091004
  C      -7.800101     -0.347613      5.721582
  C      -8.964328      0.235105      5.162285
  C      -9.541555      1.336911      5.757496
  C      -8.975395      1.901234      6.924099
  C      -7.848182      1.346237      7.495116
  C      -7.245152      0.199794      6.921071
  H      -4.598896      5.250492      6.942149
  H      -5.090239      3.925997      8.003533
  H      -5.213919      2.500933      5.691845
  H      -6.568683      5.259873      5.521769
  H      -7.020279      1.043508      2.191012
  H     -11.009279      3.273610      1.728677
  H     -12.082235      5.213968      2.886168
  H     -10.870995      6.402431      4.711364
  H      -8.606994      5.691720      5.378884
  H      -0.196178      2.451802      3.305898
  H      -1.876060      1.943366      3.506737
  H       0.513221      0.097866      4.163205
  H      -0.760848     -1.652509      3.251252
  H      -4.441524      1.645338      1.130558
  H      -6.589818     -2.382584      1.537659
  H      -6.005418     -4.594688      2.545811
  H      -3.794275     -4.914222      3.651016
  H      -2.164856     -3.071942      3.746744
  H      -2.479476     -1.338064      8.658336
  H      -3.389121     -0.842040      7.213436
  H      -3.911595      0.313382     10.036610
  H      -6.178564      0.433324      9.432037
  H      -5.653000     -2.742787      5.151930
  H      -9.365043     -0.198374      4.245321
  H     -10.428347      1.793925      5.315022
  H      -9.428671      2.790659      7.364948
  H      -7.408454      1.804322      8.381360
  N      -3.491665      1.181158      5.589893
90
Coordinates from ORCA-job orca E -6199.525341399823
  N      -3.185937      3.685217      7.106992
  Mo     -2.348219      1.961492      6.526998
  N      -2.153538      0.655776      8.011113
  C      -1.133300      0.788465      9.046741
  C      -0.732722      2.247771      9.251148
  N      -0.574974      2.923409      7.959130
  C      -0.942663      4.343010      7.963084
  C      -2.455611      4.518032      8.062503
  C       0.671265      2.611798      7.253281
  C       0.478950      2.738409      5.743213
  N      -0.782220      2.143986      5.316268
  H      -2.679754      5.586345      7.879208
  H      -2.803970      4.312542      9.096706
  H      -0.601266      4.773061      7.010623
  H      -0.441995      4.900074      8.779903
  H       1.329593      2.237537      5.245935
  H       0.528145      3.801054      5.428645
  H       0.925296      1.567952      7.488817
  H       1.512914      3.247086      7.594068
  H      -1.504813      0.396976     10.010500
  H      -0.249457      0.170735      8.787845
  H      -1.542683      2.758267      9.790829
  H       0.182325      2.322699      9.870752
  C      -4.578359      4.136519      7.022172
  C      -5.392764      3.529688      5.930938
  C      -6.362597      4.187263      5.272619
  C      -7.195095      3.543900      4.253049
  N      -6.707299      2.466414      3.636483
  C      -7.479831      1.871930      2.697582
  N      -8.680221      2.244196      2.282633
  C      -9.212371      3.336915      2.904843
  C     -10.512637      3.768245      2.539443
  C     -11.093320      4.844714      3.176687
  C     -10.400373      5.531892      4.200816
  C      -9.129446      5.138742      4.569732
  C      -8.502401      4.041232      3.928692
  C      -0.826051      1.787244      3.889766
  C      -0.424944      0.353972      3.721716
  C      -1.153412     -0.648455      3.187900
  C      -2.479885     -0.538505      2.579558
  N      -2.823137      0.600683      1.972701
  C      -4.066477      0.677934      1.441685
  N      -4.987528     -0.265566      1.390842
  C      -4.658914     -1.453469      1.981879
  C      -5.602428     -2.509830      1.963392
  C      -5.306329     -3.713919      2.566140
  C      -4.066769     -3.901961      3.220654
  C      -3.131949     -2.886445      3.257510
  C      -3.395725     -1.645606      2.625534
  C      -3.041374     -0.504029      8.180192
  C      -4.192167     -0.087412      9.049918
  C      -5.497462     -0.017951      8.718471
  C      -6.108862     -0.452387      7.460096
  N      -5.581841     -1.495353      6.814644
  C      -6.179760     -1.881561      5.660899
  N      -7.272187     -1.388795      5.107694
  C      -7.836833     -0.321593      5.747798
  C      -9.005949      0.265347      5.203805
  C      -9.569602      1.371012      5.804781
  C      -8.985876      1.933594      6.963522
  C      -7.855452      1.372294      7.522085
  C      -7.265252      0.222567      6.940943
  H      -4.595848      5.239280      6.920659
  H      -5.082859      3.920423      7.992208
  H      -5.207484      2.479869      5.689261
  H      -6.577514      5.230884      5.517162
  H      -7.039973      0.991453      2.218335
  H     -11.029831      3.216112      1.753610
  H     -12.096534      5.169664      2.894806
  H     -10.876321      6.376704      4.701406
  H      -8.611665      5.669745      5.368693
  H      -0.141661      2.442760      3.317301
  H      -1.830336      1.951428      3.489208
  H       0.531483      0.085020      4.184754
  H      -0.745380     -1.658348      3.264585
  H      -4.324787      1.641685      0.990980
  H      -6.559719     -2.331117      1.472262
  H      -6.037942     -4.523829      2.554500
  H      -3.854007     -4.854219      3.709395
  H      -2.191453     -3.039883      3.786282
  H      -2.491212     -1.344190      8.645809
  H      -3.399806     -0.840105      7.202796
  H      -3.907171      0.315276     10.028807
  H      -6.174900      0.447111      9.438486
  H      -5.698986     -2.715645      5.141478
  H      -9.420122     -0.166679      4.292222
  H     -10.458935      1.832532      5.372494
  H      -9.428953      2.825745      7.409158
  H      -7.404168      1.827239      8.404151
  N      -3.475100      1.177772      5.571051
90
Coordinates from ORCA-job orca E -6199.525358846802
  N      -3.187502      3.689016      7.099894
  Mo     -2.349972      1.964746      6.521713
  N      -2.156631      0.653967      8.001594
  C      -1.139015      0.784193      9.040214
  C      -0.738519      2.243252      9.247822
  N      -0.578958      2.920603      7.956844
  C      -0.944141      4.340979      7.961358
  C      -2.456907      4.519323      8.057388
  C       0.668038      2.607640      7.252922
  C       0.479088      2.738346      5.743135
  N      -0.782755      2.147729      5.313109
  H      -2.678941      5.588157      7.874840
  H      -2.807139      4.312760      9.090727
  H      -0.599390      4.771226      7.010288
  H      -0.445091      4.896361      8.780194
  H       1.329153      2.236700      5.245914
  H       0.530708      3.801592      5.431330
  H       0.918153      1.562334      7.485800
  H       1.510314      3.239691      7.597680
  H      -1.513315      0.391467     10.002274
  H      -0.255097      0.166108      8.782596
  H      -1.549372      2.752812      9.786900
  H       0.175969      2.317319      9.868225
  C      -4.581089      4.140401      7.017640
  C      -5.394620      3.549936      5.916533
  C      -6.368979      4.212796      5.270325
  C      -7.200867      3.575364      4.246610
  N      -6.714659      2.499880      3.626101
  C      -7.486847      1.910203      2.683607
  N      -8.687154      2.285782      2.270657
  C      -9.217496      3.377559      2.896416
  C     -10.517059      3.812528      2.532362
  C     -11.098884      4.883185      3.178455
  C     -10.407397      5.561241      4.209786
  C      -9.135874      5.166666      4.574948
  C      -8.507701      4.075083      3.924831
  C      -0.826850      1.800420      3.884113
  C      -0.421157      0.369136      3.707325
  C      -1.149359     -0.638843      3.182622
  C      -2.489608     -0.547352      2.601813
  N      -2.870190      0.593204      2.020400
  C      -4.128301      0.654681      1.524234
  N      -5.031202     -0.306956      1.480289
  C      -4.662313     -1.498953      2.037920
  C      -5.580391     -2.577581      2.014618
  C      -5.243434     -3.786548      2.585581
  C      -3.988762     -3.956348      3.216271
  C      -3.078033     -2.919268      3.256432
  C      -3.381970     -1.673656      2.652106
  C      -3.040037     -0.511083      8.163724
  C      -4.195231     -0.106366      9.033659
  C      -5.500541     -0.036672      8.701207
  C      -6.113387     -0.460583      7.439480
  N      -5.594468     -1.504091      6.788476
  C      -6.194036     -1.878874      5.631849
  N      -7.283765     -1.376349      5.082149
  C      -7.843832     -0.312298      5.730960
  C      -9.011912      0.282160      5.192606
  C      -9.570571      1.385807      5.801755
  C      -8.983136      1.938325      6.963610
  C      -7.854053      1.369384      7.516698
  C      -7.268174      0.221966      6.926725
  H      -4.597582      5.244395      6.932282
  H      -5.088779      3.910495      7.982708
  H      -5.206197      2.504675      5.657688
  H      -6.588727      5.252316      5.527369
  H      -7.052756      1.021610      2.212344
  H     -11.034222      3.266275      1.742105
  H     -12.102373      5.209590      2.899250
  H     -10.884872      6.399852      4.718825
  H      -8.619302      5.690098      5.379759
  H      -0.146014      2.461798      3.314033
  H      -1.832468      1.963388      3.486787
  H       0.544142      0.104471      4.154195
  H      -0.727211     -1.643350      3.248733
  H      -4.418042      1.620794      1.098506
  H      -6.551200     -2.411586      1.546264
  H      -5.954817     -4.614197      2.569110
  H      -3.744243     -4.912164      3.682485
  H      -2.124812     -3.060585      3.765053
  H      -2.485939     -1.349646      8.627680
  H      -3.394400     -0.844895      7.184215
  H      -3.914413      0.287229     10.017329
  H      -6.178275      0.421832      9.425045
  H      -5.716744     -2.710553      5.105219
  H      -9.428906     -0.142348      4.278776
  H     -10.459257      1.853411      5.374705
  H      -9.422503      2.828755      7.416411
  H      -7.400008      1.816837      8.401049
  N      -3.474111      1.183139      5.560397
90
Coordinates from ORCA-job orca E -6199.525382340185
  N      -3.186914      3.687287      7.104619
  Mo     -2.350349      1.960414      6.533064
  N      -2.152812      0.659070      8.020657
  C      -1.132805      0.795973      9.056133
  C      -0.732244      2.256212      9.254343
  N      -0.575791      2.926064      7.959117
  C      -0.942301      4.346105      7.956863
  C      -2.455008      4.523232      8.056338
  C       0.669575      2.610057      7.253564
  C       0.476304      2.732187      5.743366
  N      -0.786307      2.138576      5.318948
  H      -2.678548      5.590938      7.868961
  H      -2.802449      4.321549      9.091647
  H      -0.600865      4.771529      7.002424
  H      -0.441306      4.906506      8.771141
  H       1.325506      2.228275      5.246726
  H       0.526466      3.793778      5.425629
  H       0.921552      1.566460      7.492119
  H       1.512329      3.245058      7.591937
  H      -1.504561      0.408497     10.021350
  H      -0.249040      0.177071      8.799652
  H      -1.542113      2.768840      9.792314
  H       0.183636      2.334129      9.872459
  C      -4.580132      4.137969      7.021053
  C      -5.392726      3.542197      5.922543
  C      -6.366063      4.202911      5.272572
  C      -7.196124      3.564103      4.248493
  N      -6.707916      2.488276      3.629791
  C      -7.477997      1.897439      2.686800
  N      -8.677916      2.271416      2.271381
  C      -9.210232      3.363487      2.894848
  C     -10.509427      3.796686      2.527644
  C     -11.092121      4.869705      3.168793
  C     -10.401670      5.552241      4.197999
  C      -9.130968      5.158442      4.567061
  C      -8.502269      4.063720      3.922680
  C      -0.834215      1.789966      3.890351
  C      -0.434193      0.357129      3.713229
  C      -1.166019     -0.645582      3.184288
  C      -2.501989     -0.542447      2.595927
  N      -2.870296      0.604091      2.018429
  C      -4.124386      0.677061      1.512975
  N      -5.034529     -0.276938      1.459137
  C      -4.679483     -1.473417      2.015887
  C      -5.606764     -2.543643      1.983960
  C      -5.283655     -3.757498      2.552428
  C      -4.033774     -3.940864      3.188503
  C      -3.114270     -2.912057      3.237426
  C      -3.404032     -1.661578      2.636381
  C      -3.035131     -0.505007      8.191614
  C      -4.191650     -0.093750      9.056739
  C      -5.495745     -0.026902      8.719583
  C      -6.101473     -0.459472      7.457723
  N      -5.572617     -1.502018      6.813563
  C      -6.163563     -1.884630      5.655051
  N      -7.252634     -1.390232      5.096766
  C      -7.821401     -0.325709      5.737169
  C      -8.988956      0.260996      5.189129
  C      -9.557421      1.363661      5.790847
  C      -8.980304      1.923516      6.954193
  C      -7.851532      1.362767      7.516413
  C      -7.256236      0.215768      6.934784
  H      -4.597402      5.241309      6.930720
  H      -5.087314      3.912030      7.987083
  H      -5.203517      2.495983      5.668167
  H      -6.585854      5.243010      5.526983
  H      -7.039411      1.013149      2.211440
  H     -11.025094      3.247835      1.738095
  H     -12.095042      5.195147      2.886506
  H     -10.879248      6.394077      4.702156
  H      -8.615312      5.685561      5.370151
  H      -0.151043      2.448213      3.319366
  H      -1.839859      1.956689      3.494058
  H       0.528850      0.087839      4.161365
  H      -0.750157     -1.652777      3.248002
  H      -4.403567      1.647102      1.089179
  H      -6.573223     -2.367573      1.511061
  H      -6.002200     -4.578403      2.529834
  H      -3.799983     -4.900727      3.651846
  H      -2.164657     -3.063772      3.750013
  H      -2.481192     -1.339721      8.662379
  H      -3.388375     -0.846758      7.214423
  H      -3.913149      0.306803     10.038321
  H      -6.177161      0.435121      9.437705
  H      -5.679824     -2.717160      5.135323
  H      -9.398141     -0.169066      4.274398
  H     -10.445867      1.824991      5.356485
  H      -9.427143      2.813277      7.400770
  H      -7.405508      1.816196      8.402165
  N      -3.478428      1.173855      5.580463
90
Coordinates from ORCA-job orca E -6199.525386987304
  N      -3.186117      3.685838      7.102925
  Mo     -2.349210      1.960616      6.526428
  N      -2.155142      0.654965      8.010536
  C      -1.135778      0.788186      9.047151
  C      -0.734651      2.247532      9.250293
  N      -0.576164      2.921802      7.957587
  C      -0.942519      4.341861      7.959819
  C      -2.455366      4.518667      8.058173
  C       0.670082      2.608001      7.252582
  C       0.478697      2.734052      5.742448
  N      -0.783277      2.141293      5.315046
  H      -2.678531      5.587010      7.873980
  H      -2.804142      4.313974      9.092396
  H      -0.600059      4.770608      7.007204
  H      -0.442138      4.899289      8.776518
  H       1.328702      2.231462      5.245856
  H       0.529357      3.796406      5.427263
  H       0.922078      1.563835      7.488729
  H       1.512438      3.242099      7.593620
  H      -1.508574      0.398174     10.010960
  H      -0.252230      0.169456      8.789664
  H      -1.544753      2.758776      9.789089
  H       0.180317      2.322782      9.870025
  C      -4.579742      4.135274      7.019902
  C      -5.390425      3.540549      5.919150
  C      -6.368037      4.199532      5.273773
  C      -7.196137      3.562833      4.246742
  N      -6.703941      2.492122      3.621879
  C      -7.472825      1.902107      2.677240
  N      -8.675016      2.272880      2.265326
  C      -9.211284      3.359354      2.895098
  C     -10.513193      3.788081      2.532388
  C     -11.099709      4.855520      3.179339
  C     -10.410622      5.536514      4.210356
  C      -9.137585      5.146769      4.575592
  C      -8.504919      4.058029      3.925174
  C      -0.828496      1.790629      3.886946
  C      -0.424530      0.358705      3.712598
  C      -1.155091     -0.646477      3.186697
  C      -2.490739     -0.545118      2.597052
  N      -2.856185      0.597601      2.010122
  C      -4.108884      0.668360      1.500906
  N      -5.020569     -0.284480      1.452984
  C      -4.668687     -1.477024      2.020353
  C      -5.598636     -2.545249      1.997281
  C      -5.278624     -3.755070      2.575910
  C      -4.028895     -3.936482      3.213055
  C      -3.107002     -2.909361      3.253913
  C      -3.394142     -1.662820      2.643487
  C      -3.039969     -0.507548      8.178268
  C      -4.194248     -0.095905      9.045979
  C      -5.498475     -0.024133      8.710351
  C      -6.106687     -0.449841      7.447390
  N      -5.579412     -1.489072      6.796541
  C      -6.173086     -1.865796      5.637645
  N      -7.263641     -1.368490      5.084747
  C      -7.831003     -0.307384      5.732198
  C      -9.000519      0.281365      5.190709
  C      -9.567885      1.380509      5.799816
  C      -8.987230      1.935075      6.964031
  C      -7.856372      1.372233      7.519875
  C      -7.262619      0.228195      6.930908
  H      -4.598626      5.238951      6.932024
  H      -5.087280      3.906615      7.985324
  H      -5.195993      2.496579      5.659447
  H      -6.592656      5.237099      5.534626
  H      -7.029448      1.024716      2.193871
  H     -11.027551      3.240489      1.741306
  H     -12.104622      5.177661      2.900340
  H     -10.890976      6.374058      4.718928
  H      -8.623135      5.672887      5.380078
  H      -0.145811      2.449670      3.316468
  H      -1.833938      1.954047      3.488953
  H       0.539015      0.092528      4.161952
  H      -0.738839     -1.653401      3.254514
  H      -4.385388      1.635248      1.068207
  H      -6.564773     -2.370834      1.522704
  H      -5.999323     -4.574456      2.559933
  H      -3.797502     -4.893226      3.684064
  H      -2.157922     -3.059004      3.768131
  H      -2.487753     -1.345324      8.645677
  H      -3.395284     -0.845189      7.200429
  H      -3.913546      0.300303     10.028704
  H      -6.177859      0.437062      9.430968
  H      -5.690260     -2.695017      5.112027
  H      -9.412248     -0.144362      4.275068
  H     -10.458024      1.843354      5.370565
  H      -9.432865      2.822653      7.416199
  H      -7.407765      1.821585      8.406211
  N      -3.476279      1.178478      5.569251
90
Coordinates from ORCA-job orca E -6199.525390400147
  N      -3.186831      3.682621      7.101145
  Mo     -2.347542      1.957718      6.526972
  N      -2.153139      0.654017      8.012680
  C      -1.134308      0.789494      9.049622
  C      -0.734889      2.249483      9.251382
  N      -0.576408      2.922391      7.958004
  C      -0.944293      4.342032      7.958243
  C      -2.457334      4.517370      8.055673
  C       0.670591      2.609107      7.254182
  C       0.480121      2.733278      5.743843
  N      -0.781123      2.139204      5.316008
  H      -2.681546      5.585239      7.870003
  H      -2.806368      4.313545      9.089981
  H      -0.601771      4.769909      7.005265
  H      -0.444960      4.901075      8.774470
  H       1.330873      2.230787      5.248396
  H       0.530201      3.795336      5.427547
  H       0.923666      1.565534      7.491784
  H       1.511980      3.244628      7.594937
  H      -1.507204      0.400164     10.013634
  H      -0.250012      0.171443      8.793155
  H      -1.545826      2.760451      9.789168
  H       0.179695      2.326376      9.871479
  C      -4.581038      4.130563      7.017675
  C      -5.391192      3.537590      5.915591
  C      -6.370696      4.196539      5.272979
  C      -7.198959      3.560803      4.245543
  N      -6.708235      2.488971      3.621497
  C      -7.477155      1.900093      2.676258
  N      -8.678790      2.272164      2.263858
  C      -9.213475      3.360070      2.892503
  C     -10.514260      3.791025      2.528357
  C     -11.099292      4.860115      3.173984
  C     -10.409663      5.540645      4.204924
  C      -9.137564      5.148936      4.571288
  C      -8.506463      4.058360      3.922428
  C      -0.825404      1.790760      3.887261
  C      -0.423937      0.358252      3.711504
  C      -1.156376     -0.645599      3.185668
  C      -2.492564     -0.542691      2.597491
  N      -2.858196      0.601125      2.012882
  C      -4.111318      0.673133      1.504968
  N      -5.023169     -0.279507      1.455938
  C      -4.670962     -1.473260      2.020505
  C      -5.600762     -2.541624      1.995411
  C      -5.280388     -3.752600      2.571492
  C      -4.030527     -3.935041      3.208154
  C      -3.108741     -2.907881      3.250746
  C      -3.396179     -1.660221      2.642781
  C      -3.037227     -0.508863      8.182083
  C      -4.191846     -0.096948      9.049313
  C      -5.496147     -0.025408      8.713681
  C      -6.104957     -0.452077      7.451299
  N      -5.578547     -1.492267      6.801287
  C      -6.172343     -1.869454      5.642683
  N      -7.262747     -1.372047      5.089559
  C      -7.829466     -0.310170      5.736266
  C      -8.998580      0.278861      5.194209
  C      -9.564816      1.379344      5.801915
  C      -8.983598      1.934767      6.965447
  C      -7.853238      1.371584      7.521967
  C      -7.260446      0.226376      6.934293
  H      -4.600767      5.234407      6.931963
  H      -5.089079      3.899694      7.982331
  H      -5.195298      2.494680      5.652743
  H      -6.596812      5.233058      5.536639
  H      -7.035921      1.020252      2.195517
  H     -11.028996      3.243875      1.737223
  H     -12.103404      5.183890      2.893986
  H     -10.888821      6.379454      4.712491
  H      -8.622817      5.674891      5.375649
  H      -0.140388      2.449119      3.318852
  H      -1.829961      1.956646      3.488097
  H       0.539881      0.090377      4.159341
  H      -0.741012     -1.653031      3.252010
  H      -4.387988      1.640889      1.074231
  H      -6.567085     -2.366370      1.521398
  H      -6.000915     -4.572147      2.553949
  H      -3.798933     -4.892688      3.677217
  H      -2.159502     -3.058397      3.764418
  H      -2.484406     -1.345456      8.650944
  H      -3.392316     -0.848268      7.204792
  H      -3.911416      0.300002     10.031826
  H      -6.175254      0.436690      9.433961
  H      -5.690024     -2.699165      5.117469
  H      -9.410705     -0.147607      4.279100
  H     -10.454629      1.842448      5.372290
  H      -9.428435      2.823205      7.416697
  H      -7.404388      1.821555      8.407883
  N      -3.473603      1.174223      5.569700
90
Coordinates from ORCA-job orca E -6199.525391648368
  N      -3.184696      3.682418      7.098084
  Mo     -2.345973      1.955820      6.528489
  N      -2.153914      0.654730      8.016654
  C      -1.136061      0.791420      9.054520
  C      -0.735957      2.251587      9.253972
  N      -0.575776      2.921819      7.959378
  C      -0.942515      4.341787      7.956175
  C      -2.455531      4.518555      8.051690
  C       0.671608      2.605835      7.257446
  C       0.482988      2.727562      5.746717
  N      -0.778585      2.134444      5.318123
  H      -2.678940      5.586187      7.863770
  H      -2.805566      4.316772      9.086082
  H      -0.598715      4.767307      7.002615
  H      -0.443713      4.902237      8.771757
  H       1.333558      2.222875      5.253217
  H       0.534714      3.788934      5.428544
  H       0.923036      1.562360      7.497148
  H       1.513399      3.240925      7.598003
  H      -1.510225      0.404049     10.018800
  H      -0.251932      0.172360      8.799935
  H      -1.547231      2.764025      9.789898
  H       0.178098      2.329237      9.874787
  C      -4.579196      4.129535      7.014239
  C      -5.387155      3.540170      5.908728
  C      -6.371230      4.197877      5.271837
  C      -7.197709      3.562950      4.242825
  N      -6.703875      2.494118      3.616178
  C      -7.471932      1.903456      2.671570
  N      -8.676536      2.270455      2.263014
  C      -9.214254      3.355564      2.893968
  C     -10.518191      3.780549      2.533961
  C     -11.106526      4.846244      3.182173
  C     -10.417106      5.529243      4.211726
  C      -9.142114      5.143242      4.574107
  C      -8.507665      4.056092      3.922636
  C      -0.822311      1.788048      3.888785
  C      -0.423407      0.354714      3.712220
  C      -1.157121     -0.648260      3.186251
  C      -2.492927     -0.545167      2.597118
  N      -2.858872      0.599239      2.013834
  C      -4.111799      0.671442      1.505463
  N      -5.022941     -0.281758      1.454095
  C      -4.670300     -1.476226      2.016712
  C      -5.598822     -2.545527      1.987905
  C      -5.277780     -3.757555      2.561405
  C      -4.028847     -3.939879      3.199850
  C      -3.108348     -2.911769      3.246077
  C      -3.396042     -1.663232      2.640063
  C      -3.038357     -0.507838      8.186656
  C      -4.194154     -0.095104      9.052109
  C      -5.497718     -0.020727      8.714113
  C      -6.105380     -0.443774      7.449953
  N      -5.578666     -1.482071      6.797192
  C      -6.170831     -1.855054      5.636412
  N      -7.260702     -1.355904      5.083713
  C      -7.828684     -0.296946      5.733908
  C      -8.998144      0.292865      5.193243
  C      -9.566186      1.390211      5.804886
  C      -8.986425      1.941730      6.970970
  C      -7.855644      1.377908      7.525937
  C      -7.260964      0.235718      6.934337
  H      -4.599528      5.233553      6.932786
  H      -5.088833      3.894603      7.976906
  H      -5.186367      2.499904      5.639066
  H      -6.602991      5.231245      5.542410
  H      -7.028087      1.025212      2.189841
  H     -11.032737      3.231306      1.743989
  H     -12.113107      5.165161      2.905510
  H     -10.898778      6.365162      4.721589
  H      -8.627880      5.670898      5.377699
  H      -0.135220      2.445657      3.321983
  H      -1.826160      1.956332      3.488939
  H       0.539987      0.085113      4.159574
  H      -0.742524     -1.655888      3.252661
  H      -4.388715      1.639691      1.076120
  H      -6.564627     -2.370148      1.513214
  H      -5.997184     -4.577866      2.540808
  H      -3.796836     -4.898230      3.667198
  H      -2.159706     -3.062387      3.760796
  H      -2.486047     -1.343641      8.657461
  H      -3.392313     -0.848611      7.209415
  H      -3.915238      0.299564     10.035954
  H      -6.177240      0.441045      9.434167
  H      -5.687797     -2.682786      5.108604
  H      -9.409064     -0.130483      4.276145
  H     -10.456204      1.854148      5.376506
  H      -9.432583      2.827881      7.425410
  H      -7.407823      1.825387      8.413702
  N      -3.472302      1.172193      5.571555
90
Coordinates from ORCA-job orca E -6199.525394426516
  N      -3.186077      3.678800      7.097221
  Mo     -2.344992      1.953159      6.528122
  N      -2.152065      0.653165      8.017120
  C      -1.134167      0.791469      9.054809
  C      -0.735836      2.252132      9.253771
  N      -0.576295      2.922116      7.958994
  C      -0.944962      4.341539      7.955274
  C      -2.458214      4.516188      8.050711
  C       0.671610      2.607595      7.257316
  C       0.483108      2.728371      5.746492
  N      -0.777665      2.133609      5.317791
  H      -2.683099      5.583453      7.862472
  H      -2.808058      4.314206      9.085134
  H      -0.601773      4.767184      7.001543
  H      -0.446900      4.902979      8.770628
  H       1.334420      2.224369      5.253494
  H       0.533723      3.789646      5.427750
  H       0.924647      1.564652      7.497673
  H       1.512449      3.244135      7.597534
  H      -1.507786      0.403966     10.019239
  H      -0.249328      0.173434      8.800247
  H      -1.547776      2.763767      9.789467
  H       0.178045      2.331044      9.874704
  C      -4.581349      4.123635      7.013280
  C      -5.387425      3.536696      5.905041
  C      -6.374137      4.194210      5.271901
  C      -7.199840      3.561862      4.240611
  N      -6.705995      2.494230      3.611681
  C      -7.473701      1.905924      2.665332
  N      -8.677983      2.274221      2.256933
  C      -9.215437      3.358347      2.889660
  C     -10.518807      3.784836      2.529394
  C     -11.106828      4.849990      3.178741
  C     -10.417502      5.531067      4.209599
  C      -9.143080      5.143539      4.572317
  C      -8.509092      4.056611      3.920050
  C      -0.820859      1.787324      3.888398
  C      -0.421997      0.354037      3.711674
  C      -1.156640     -0.648503      3.186303
  C      -2.492542     -0.544014      2.597701
  N      -2.857378      0.600982      2.014880
  C      -4.110307      0.674739      1.506810
  N      -5.022733     -0.277257      1.455876
  C      -4.671539     -1.472083      2.018671
  C      -5.601829     -2.539898      1.991032
  C      -5.282431     -3.752072      2.565157
  C      -4.033294     -3.936109      3.202760
  C      -3.111056     -2.909478      3.247769
  C      -3.397170     -1.660794      2.641339
  C      -3.035776     -0.509706      8.188538
  C      -4.191335     -0.096373      9.054066
  C      -5.494967     -0.021838      8.716155
  C      -6.103035     -0.445782      7.452509
  N      -5.576870     -1.484902      6.800658
  C      -6.169081     -1.858703      5.640290
  N      -7.258681     -1.359508      5.087041
  C      -7.826185     -0.299706      5.736273
  C      -8.995491      0.289963      5.195109
  C      -9.563336      1.387849      5.805874
  C      -8.983329      1.940328      6.971421
  C      -7.852597      1.376827      7.526789
  C      -7.258293      0.233814      6.936273
  H      -4.603423      5.227898      6.935204
  H      -5.091629      3.885127      7.974744
  H      -5.183318      2.498366      5.630362
  H      -6.608692      5.225582      5.547716
  H      -7.029525      1.029228      2.181125
  H     -11.033028      3.237391      1.738036
  H     -12.112914      5.170178      2.901738
  H     -10.898692      6.366942      4.720100
  H      -8.629022      5.670051      5.376755
  H      -0.133216      2.444908      3.322294
  H      -1.824532      1.955585      3.488067
  H       0.541684      0.084287      4.158390
  H      -0.742840     -1.656520      3.252447
  H      -4.386236      1.643435      1.077760
  H      -6.567680     -2.363244      1.516824
  H      -6.003199     -4.571245      2.545554
  H      -3.802570     -4.894592      3.670488
  H      -2.162342     -3.061287      3.762029
  H      -2.482880     -1.344740      8.660017
  H      -3.390109     -0.851653      7.211916
  H      -3.912205      0.299020     10.037570
  H      -6.174129      0.441051      9.435824
  H      -5.686497     -2.687230      5.113349
  H      -9.406531     -0.134115      4.278412
  H     -10.453475      1.851411      5.377363
  H      -9.429362      2.826825      7.425274
  H      -7.404750      1.825052      8.414182
  N      -3.470660      1.168843      5.571025
90
Coordinates from ORCA-job orca E -6199.525394445486
  N      -3.186824      3.676632      7.096675
  Mo     -2.344668      1.951298      6.528131
  N      -2.151611      0.652193      8.017857
  C      -1.133514      0.791245      9.055278
  C      -0.735977      2.252148      9.253860
  N      -0.576754      2.921952      7.958955
  C      -0.946404      4.341091      7.954901
  C      -2.459785      4.514623      8.050210
  C       0.671379      2.608129      7.257373
  C       0.482927      2.728239      5.746485
  N      -0.777402      2.132561      5.317870
  H      -2.685437      5.581699      7.861840
  H      -2.809597      4.312540      9.084616
  H      -0.603537      4.766755      7.001055
  H      -0.448701      4.903070      8.770105
  H       1.334646      2.224598      5.253809
  H       0.532952      3.789426      5.427340
  H       0.925332      1.565510      7.498188
  H       1.511730      3.245481      7.597287
  H      -1.506721      0.403702     10.019849
  H      -0.248395      0.173680      8.800618
  H      -1.548161      2.763460      9.789453
  H       0.177808      2.331659      9.874833
  C      -4.582638      4.119812      7.012677
  C      -5.386582      3.535417      5.901487
  C      -6.375879      4.192515      5.271905
  C      -7.200251      3.562327      4.238239
  N      -6.704681      2.497396      3.605967
  C      -7.471689      1.910321      2.658283
  N      -8.677127      2.277084      2.251912
  C      -9.216085      3.358687      2.887601
  C     -10.520402      3.783736      2.529053
  C     -11.109758      4.846678      3.180796
  C     -10.420834      5.526920      4.212427
  C      -9.145624      5.140674      4.573698
  C      -8.510287      4.055929      3.919108
  C      -0.820598      1.785739      3.888619
  C      -0.421476      0.352514      3.712260
  C      -1.156251     -0.649916      3.186908
  C      -2.491899     -0.544704      2.597878
  N      -2.855386      0.600081      2.013791
  C      -4.107806      0.674332      1.504596
  N      -5.020967     -0.276987      1.453850
  C      -4.671207     -1.471545      2.018200
  C      -5.602607     -2.538440      1.991477
  C      -5.284739     -3.750195      2.567326
  C      -4.035932     -3.934829      3.205422
  C      -3.112604     -2.909112      3.249508
  C      -3.397332     -1.660769      2.641723
  C      -3.035142     -0.510732      8.189875
  C      -4.190448     -0.096951      9.055533
  C      -5.493935     -0.021402      8.717292
  C      -6.101893     -0.444443      7.453304
  N      -5.575902     -1.483370      6.800972
  C      -6.167695     -1.856179      5.640138
  N      -7.256561     -1.355805      5.086465
  C      -7.823842     -0.296121      5.736109
  C      -8.992423      0.294632      5.194584
  C      -9.560326      1.392115      5.806018
  C      -8.980906      1.943261      6.972519
  C      -7.850703      1.378870      7.528058
  C      -7.256483      0.236135      6.936933
  H      -4.606150      5.224343      6.938037
  H      -5.093737      3.877685      7.972835
  H      -5.178992      2.499069      5.621899
  H      -6.613795      5.221676      5.553086
  H      -7.026056      1.036063      2.171183
  H     -11.034104      3.237087      1.736870
  H     -12.116508      5.165825      2.905004
  H     -10.902924      6.361192      4.724687
  H      -8.631997      5.666741      5.378672
  H      -0.133078      2.443309      3.322399
  H      -1.824317      1.953603      3.488254
  H       0.542085      0.082862      4.159421
  H      -0.742985     -1.658176      3.253450
  H      -4.382626      1.642855      1.074423
  H      -6.568129     -2.361400      1.516603
  H      -6.006412     -4.568659      2.548511
  H      -3.806393     -4.893009      3.674381
  H      -2.164235     -3.061264      3.764308
  H      -2.482047     -1.345554      8.661497
  H      -3.389871     -0.853027      7.213516
  H      -3.911220      0.297968     10.039195
  H      -6.172950      0.441761      9.436936
  H      -5.685273     -2.684636      5.113007
  H      -9.402944     -0.128441      4.277178
  H     -10.450039      1.856355      5.377377
  H      -9.426982      2.829432      7.426986
  H      -7.403308      1.826125      8.416125
  N      -3.470093      1.166687      5.571037
90
Coordinates from ORCA-job orca E -6199.525395707289
  N      -3.187699      3.674357      7.095295
  Mo     -2.344458      1.948903      6.528771
  N      -2.151153      0.651676      8.020112
  C      -1.132903      0.792118      9.057216
  C      -0.736325      2.253437      9.254571
  N      -0.577491      2.922209      7.959078
  C      -0.948153      4.341060      7.953698
  C      -2.461680      4.513483      8.048569
  C       0.670890      2.608643      7.257818
  C       0.482557      2.727323      5.746790
  N      -0.777323      2.130539      5.318493
  H      -2.688186      5.580256      7.859534
  H      -2.811512      4.311721      9.083041
  H      -0.605540      4.766105      6.999483
  H      -0.450961      4.904153      8.768444
  H       1.334664      2.223721      5.254728
  H       0.532003      3.788251      5.426700
  H       0.925637      1.566443      7.499605
  H       1.510775      3.246926      7.597161
  H      -1.505624      0.404953     10.022126
  H      -0.247407      0.175022      8.802751
  H      -1.548877      2.764670      9.789680
  H       0.177374      2.334108      9.875519
  C      -4.584244      4.115327      7.011237
  C      -5.385128      3.535107      5.895639
  C      -6.377716      4.192005      5.270977
  C      -7.200594      3.564810      4.234387
  N      -6.703371      2.502820      3.598378
  C      -7.470167      1.916713      2.649993
  N      -8.677101      2.281636      2.246378
  C      -9.217375      3.360719      2.885161
  C     -10.523056      3.783808      2.529217
  C     -11.113593      4.844455      3.183557
  C     -10.424482      5.524344      4.215295
  C      -9.148141      5.139784      4.574338
  C      -8.511627      4.057185      3.917265
  C      -0.820636      1.783225      3.889372
  C      -0.421240      0.350042      3.713264
  C      -1.155749     -0.652203      3.187199
  C      -2.490968     -0.546468      2.597349
  N      -2.853509      0.598433      2.012868
  C      -4.105627      0.673323      1.503058
  N      -5.019390     -0.277421      1.452184
  C      -4.670725     -1.471975      2.017250
  C      -5.603046     -2.538054      1.990987
  C      -5.286326     -3.749746      2.567584
  C      -4.037709     -3.935171      3.205776
  C      -3.113490     -2.910246      3.249462
  C      -3.397117     -1.661931      2.641100
  C      -3.033924     -0.511740      8.192944
  C      -4.189428     -0.097939      9.058376
  C      -5.492662     -0.021606      8.719357
  C      -6.100070     -0.443354      7.454675
  N      -5.574160     -1.481935      6.801708
  C      -6.165223     -1.853279      5.640054
  N      -7.253112     -1.351479      5.085733
  C      -7.820432     -0.292271      5.736089
  C      -8.988356      0.299560      5.194286
  C      -9.557054      1.395806      5.807179
  C      -8.978839      1.944912      6.975251
  C      -7.849023      1.379746      7.530767
  C      -7.254134      0.238062      6.938276
  H      -4.609637      5.220158      6.941962
  H      -5.096683      3.867638      7.969214
  H      -5.173008      2.501549      5.609130
  H      -6.619964      5.218094      5.559481
  H      -7.022978      1.045117      2.159532
  H     -11.036690      3.237554      1.736717
  H     -12.121318      5.162144      2.909660
  H     -10.907309      6.357015      4.729473
  H      -8.634551      5.665770      5.379379
  H      -0.133507      2.440906      3.322809
  H      -1.824482      1.950717      3.489154
  H       0.541866      0.080360      4.161345
  H      -0.742908     -1.660607      3.254017
  H      -4.379605      1.641876      1.072435
  H      -6.568336     -2.360448      1.515874
  H      -6.008729     -4.567563      2.549210
  H      -3.809022     -4.893307      3.675250
  H      -2.165306     -3.062946      3.764436
  H      -2.480215     -1.345854      8.665057
  H      -3.388621     -0.854868      7.216873
  H      -3.910583      0.296281     10.042416
  H      -6.171859      0.441375      9.438948
  H      -5.682976     -2.681734      5.112741
  H      -9.397946     -0.121994      4.275758
  H     -10.446479      1.860642      5.378585
  H      -9.425612      2.830073      7.431007
  H      -7.402554      1.825528      8.420032
  N      -3.469739      1.163283      5.572327
90
Coordinates from ORCA-job orca E -6199.525396395737
  N      -3.188385      3.672649      7.093708
  Mo     -2.344441      1.946651      6.529971
  N      -2.150809      0.651657      8.023264
  C      -1.132416      0.793691      9.060005
  C      -0.736594      2.255445      9.255608
  N      -0.578170      2.922696      7.959272
  C      -0.949584      4.341345      7.952143
  C      -2.463223      4.512965      8.046541
  C       0.670384      2.608928      7.258415
  C       0.482102      2.725795      5.747242
  N      -0.777476      2.128030      5.319581
  H      -2.690412      5.579437      7.856645
  H      -2.813051      4.311766      9.081137
  H      -0.607113      4.765442      6.997457
  H      -0.452832      4.905677      8.766290
  H       1.334470      2.222017      5.255798
  H       0.531102      3.786395      5.425987
  H       0.925669      1.567137      7.501397
  H       1.509931      3.248028      7.597059
  H      -1.504698      0.407310     10.025400
  H      -0.246623      0.176819      8.806007
  H      -1.549431      2.766894      9.790093
  H       0.177092      2.337400      9.876411
  C      -4.585764      4.111191      7.009919
  C      -5.383435      3.535894      5.889469
  C      -6.379748      4.192457      5.270368
  C      -7.200676      3.568370      4.230432
  N      -6.700672      2.510715      3.589365
  C      -7.466619      1.925935      2.639556
  N      -8.675481      2.288107      2.239238
  C      -9.218265      3.363248      2.882486
  C     -10.525765      3.783377      2.529697
  C     -11.118682      4.840146      3.188083
  C     -10.430168      5.519036      4.220872
  C      -9.152233      5.137186      4.577113
  C      -8.513302      4.058407      3.916053
  C      -0.821070      1.780239      3.890604
  C      -0.422054      0.346969      3.714610
  C      -1.156480     -0.654837      3.187558
  C      -2.491337     -0.548397      2.597094
  N      -2.853032      0.596731      2.012504
  C      -4.105032      0.672487      1.502602
  N      -5.019479     -0.277600      1.451715
  C      -4.671670     -1.472420      2.016748
  C      -5.604726     -2.537850      1.990393
  C      -5.288863     -3.749781      2.566952
  C      -4.040398     -3.936098      3.205167
  C      -3.115457     -2.911835      3.248939
  C      -3.398208     -1.663283      2.640632
  C      -3.032643     -0.512397      8.197177
  C      -4.188668     -0.098740      9.062037
  C      -5.491621     -0.022120      8.722002
  C      -6.098126     -0.443143      7.456618
  N      -5.572695     -1.482299      6.804187
  C      -6.162615     -1.852574      5.641594
  N      -7.248699     -1.348848      5.085529
  C      -7.815547     -0.289064      5.735320
  C      -8.981671      0.304692      5.191734
  C      -9.550321      1.400990      5.804546
  C      -8.973679      1.948438      6.974192
  C      -7.845422      1.381660      7.531206
  C      -7.250664      0.239802      6.938841
  H      -4.613346      5.216333      6.947092
  H      -5.099546      3.856766      7.965360
  H      -5.166350      2.505523      5.595188
  H      -6.627090      5.214982      5.567004
  H      -7.017234      1.057632      2.145182
  H     -11.038724      3.238015      1.736152
  H     -12.127743      5.155602      2.916529
  H     -10.914719      6.348803      4.738157
  H      -8.639277      5.662527      5.382967
  H      -0.134203      2.437804      3.323555
  H      -1.824972      1.947829      3.490555
  H       0.540501      0.076822      4.163573
  H      -0.744106     -1.663422      3.254373
  H      -4.378347      1.641270      1.072056
  H      -6.569858     -2.359550      1.515257
  H      -6.011834     -4.567084      2.548541
  H      -3.812351     -4.894406      3.674599
  H      -2.167381     -3.065249      3.763895
  H      -2.478184     -1.345486      8.670167
  H      -3.386962     -0.856748      7.221406
  H      -3.910520      0.295162     10.046396
  H      -6.171257      0.440778      9.441238
  H      -5.680930     -2.681884      5.115065
  H      -9.390043     -0.115684      4.272121
  H     -10.438458      1.867155      5.374738
  H      -9.420491      2.833540      7.430009
  H      -7.400144      1.826207      8.421715
  N      -3.469627      1.159637      5.574508
90
Coordinates from ORCA-job orca E -6199.525396658709
  N      -3.189461      3.671495      7.092827
  Mo     -2.344949      1.945084      6.531115
  N      -2.150452      0.651861      8.025855
  C      -1.131772      0.795274      9.062094
  C      -0.736698      2.257417      9.256276
  N      -0.578971      2.923547      7.959271
  C      -0.951199      4.341990      7.950953
  C      -2.464920      4.512766      8.045245
  C       0.669639      2.609938      7.258480
  C       0.480979      2.725365      5.747241
  N      -0.778307      2.126488      5.320399
  H      -2.692780      5.578989      7.854772
  H      -2.814580      4.311928      9.079969
  H      -0.609034      4.765488      6.995896
  H      -0.454721      4.907280      8.764597
  H       1.333568      2.221762      5.256015
  H       0.529271      3.785737      5.425121
  H       0.925675      1.568534      7.502324
  H       1.508826      3.249886      7.596406
  H      -1.503451      0.409460     10.027949
  H      -0.245707      0.178699      8.808323
  H      -1.549677      2.768915      9.790480
  H       0.177094      2.340459      9.876760
  C      -4.587482      4.108175      7.009371
  C      -5.383011      3.536197      5.885687
  C      -6.381124      4.192949      5.269657
  C      -7.201124      3.571058      4.227748
  N      -6.700414      2.515016      3.584594
  C      -7.466269      1.931067      2.634263
  N      -8.675951      2.292292      2.235570
  C      -9.219187      3.366286      2.880387
  C     -10.527204      3.785805      2.528787
  C     -11.120456      4.841591      3.188437
  C     -10.431751      5.520064      4.221359
  C      -9.153384      5.138719      4.576580
  C      -8.514100      4.060880      3.914304
  C      -0.822270      1.778276      3.891549
  C      -0.423313      0.345012      3.715648
  C      -1.157212     -0.656609      3.187528
  C      -2.491829     -0.549847      2.596573
  N      -2.853144      0.595465      2.012102
  C      -4.105068      0.671545      1.502010
  N      -5.019772     -0.278277      1.451013
  C      -4.672274     -1.473299      2.015806
  C      -5.605584     -2.538502      1.989257
  C      -5.289882     -3.750724      2.565278
  C      -4.041323     -3.937585      3.203143
  C      -3.116191     -2.913512      3.247260
  C      -3.398843     -1.664626      2.639579
  C      -3.031223     -0.512920      8.200608
  C      -4.187572     -0.100023      9.065375
  C      -5.490420     -0.023974      8.724962
  C      -6.096138     -0.444374      7.458963
  N      -5.570485     -1.483398      6.806501
  C      -6.159593     -1.852835      5.643168
  N      -7.244675     -1.348069      5.086173
  C      -7.811684     -0.288368      5.735981
  C      -8.976855      0.306385      5.191479
  C      -9.546000      1.402154      5.804808
  C      -8.970706      1.948157      6.975785
  C      -7.843221      1.380556      7.533519
  C      -7.248014      0.239223      6.940631
  H      -4.616752      5.213504      6.951068
  H      -5.102088      3.848844      7.963043
  H      -5.163208      2.507735      5.586750
  H      -6.631060      5.213423      5.571056
  H      -7.016593      1.063702      2.138563
  H     -11.040218      3.240798      1.735019
  H     -12.129899      5.156600      2.917791
  H     -10.916497      6.349099      4.739586
  H      -8.640383      5.663856      5.382524
  H      -0.135758      2.435752      3.323969
  H      -1.826225      1.945935      3.491614
  H       0.538843      0.074756      4.165416
  H      -0.744812     -1.665198      3.254077
  H      -4.378015      1.640365      1.071323
  H      -6.570753     -2.359826      1.514319
  H      -6.013060     -4.567847      2.546713
  H      -3.813354     -4.896160      3.672072
  H      -2.168055     -3.067337      3.761971
  H      -2.475878     -1.345210      8.673960
  H      -3.385308     -0.858096      7.225027
  H      -3.909875      0.293597     10.049968
  H      -6.170585      0.438122      9.444226
  H      -5.677860     -2.682160      5.116718
  H      -9.384271     -0.112992      4.270973
  H     -10.433544      1.868924      5.374450
  H      -9.417974      2.832807      7.432052
  H      -7.398993      1.823918      8.425120
  N      -3.470146      1.156636      5.576796
90
Coordinates from ORCA-job orca E -6199.525396885087
  N      -3.189998      3.671167      7.092290
  Mo     -2.345275      1.944506      6.531597
  N      -2.150202      0.652025      8.026924
  C      -1.131501      0.796178      9.063023
  C      -0.736787      2.258511      9.256493
  N      -0.579389      2.924076      7.959153
  C      -0.951972      4.342446      7.950299
  C      -2.465729      4.512859      8.044531
  C       0.669283      2.610532      7.258448
  C       0.480419      2.725281      5.747184
  N      -0.778735      2.125837      5.320744
  H      -2.693889      5.578977      7.853814
  H      -2.815313      4.312157      9.079312
  H      -0.609886      4.765693      6.995105
  H      -0.455646      4.908131      8.763757
  H       1.333102      2.221781      5.256009
  H       0.528332      3.785554      5.424667
  H       0.925605      1.569287      7.502677
  H       1.508301      3.250838      7.596104
  H      -1.502994      0.410738     10.029103
  H      -0.245290      0.179686      8.809525
  H      -1.549860      2.770036      9.790543
  H       0.177060      2.342103      9.876829
  C      -4.588404      4.106765      7.009220
  C      -5.383023      3.536365      5.884079
  C      -6.381784      4.193321      5.269306
  C      -7.201422      3.572468      4.226509
  N      -6.700461      2.517171      3.582332
  C      -7.466273      1.933760      2.631670
  N      -8.676186      2.294850      2.233533
  C      -9.219627      3.368214      2.879250
  C     -10.527823      3.787584      2.528169
  C     -11.121271      4.842740      3.188655
  C     -10.432579      5.520683      4.221935
  C      -9.154051      5.139436      4.576694
  C      -8.514563      4.062242      3.913576
  C      -0.822724      1.777405      3.891965
  C      -0.423903      0.344129      3.716118
  C      -1.157636     -0.657402      3.187617
  C      -2.492183     -0.550382      2.596533
  N      -2.853294      0.595135      2.012343
  C      -4.105333      0.671642      1.502546
  N      -5.020380     -0.277840      1.451791
  C      -4.673059     -1.473087      2.016195
  C      -5.606659     -2.538036      1.989689
  C      -5.291016     -3.750561      2.565093
  C      -4.042242     -3.937978      3.202381
  C      -3.116873     -2.914125      3.246580
  C      -3.399467     -1.664949      2.639472
  C      -3.030384     -0.513140      8.202171
  C      -4.186953     -0.100719      9.066852
  C      -5.489806     -0.025340      8.726360
  C      -6.095097     -0.445896      7.460168
  N      -5.569618     -1.485397      6.808367
  C      -6.158349     -1.854870      5.644801
  N      -7.242833     -1.349690      5.087086
  C      -7.809611     -0.289434      5.736205
  C      -8.974078      0.305876      5.190819
  C      -9.542983      1.402087      5.803587
  C      -8.968135      1.948003      6.974817
  C      -7.841300      1.379918      7.533373
  C      -7.246368      0.238135      6.941064
  H      -4.618692      5.212156      6.953283
  H      -5.103252      3.844765      7.962022
  H      -5.162221      2.508688      5.583184
  H      -6.632755      5.212933      5.572709
  H      -7.016463      1.066892      2.135181
  H     -11.040803      3.242999      1.734080
  H     -12.130847      5.157663      2.918403
  H     -10.917467      6.349236      4.740809
  H      -8.641086      5.664182      5.382910
  H      -0.136207      2.434741      3.324208
  H      -1.826615      1.945226      3.491899
  H       0.538112      0.073785      4.166121
  H      -0.745225     -1.665988      3.254017
  H      -4.378039      1.640564      1.071926
  H      -6.571970     -2.358938      1.515222
  H      -6.014401     -4.567486      2.546499
  H      -3.814295     -4.896813      3.670783
  H      -2.168577     -3.068370      3.760872
  H      -2.474583     -1.344972      8.675792
  H      -3.384228     -0.858835      7.226693
  H      -3.909489      0.293066     10.051450
  H      -6.170303      0.436435      9.445515
  H      -5.676924     -2.684753      5.118935
  H      -9.381196     -0.113477      4.270170
  H     -10.429998      1.869254      5.372571
  H      -9.415215      2.832996      7.430595
  H      -7.397394      1.823169      8.425209
  N      -3.470438      1.155239      5.577867
